----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:05:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.157649810000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.995862099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.840404100000000 Atomic positions (fractional): *1 Na 0.43621523399909 0.27453228046581 0.57249818021512 22.990 *2 Na 0.68768998833663 0.19045425309742 0.09749089778150 22.990 3 Na 0.06378476600091 0.77453228046581 0.07249818021512 22.990 4 Na 0.18768998833663 0.30954574690258 0.09749089778150 22.990 5 Na 0.56378476600091 0.72546771953419 0.07249818021512 22.990 6 Na 0.93621523399909 0.22546771953419 0.57249818021512 22.990 7 Na 0.81231001166337 0.69045425309742 0.59749089778150 22.990 8 Na 0.31231001166337 0.80954574690258 0.59749089778150 22.990 *9 Si 0.94754539653654 0.93216060111473 0.52517207606954 28.085 10 Si 0.55245460346346 0.43216060111473 0.02517207606954 28.085 11 Si 0.44754539653654 0.56783939888527 0.52517207606954 28.085 *12 Si 0.10834752476757 0.47404217705986 0.63927741598004 28.085 13 Si 0.39165247523243 0.97404217705986 0.13927741598004 28.085 14 Si 0.89165247523243 0.52595782294014 0.13927741598004 28.085 15 Si 0.05245460346346 0.06783939888527 0.02517207606954 28.085 16 Si 0.60834752476757 0.02595782294014 0.63927741598004 28.085 *17 O 0.97170630141528 0.96164873571442 0.19337485026028 15.999 *18 O 0.05694654239217 0.48582398293537 0.96924078990351 15.999 *19 O 0.66487559774874 0.15101620479263 0.57799522066229 15.999 20 O 0.83512440225126 0.65101620479263 0.07799522066229 15.999 21 O 0.33512440225126 0.84898379520737 0.07799522066229 15.999 *22 O 0.02827968308111 0.81415994372937 0.58963064846551 15.999 *23 O 0.25135651398271 0.07063012538311 0.08391994066219 15.999 24 O 0.52829369858472 0.46164873571442 0.69337485026028 15.999 25 O 0.44305345760783 0.98582398293537 0.46924078990351 15.999 26 O 0.47172031691889 0.31415994372937 0.08963064846551 15.999 27 O 0.74864348601729 0.92936987461689 0.58391994066219 15.999 28 O 0.55694654239217 0.01417601706463 0.96924078990351 15.999 29 O 0.02829369858472 0.03835126428558 0.69337485026028 15.999 30 O 0.75135651398271 0.42936987461689 0.08391994066219 15.999 31 O 0.94305345760783 0.51417601706463 0.46924078990351 15.999 32 O 0.52827968308111 0.68584005627063 0.58963064846551 15.999 33 O 0.24864348601729 0.57063012538311 0.58391994066219 15.999 34 O 0.97172031691889 0.18584005627063 0.08963064846551 15.999 35 O 0.16487559774874 0.34898379520737 0.57799522066229 15.999 36 O 0.47170630141528 0.53835126428558 0.19337485026028 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.157649810000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.995862099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.840404100000000 Atomic positions (fractional): *1 Na 0.43621523399909 0.27453228046581 0.57249818021512 22.990 > 1 *2 Na 0.68768998833663 0.19045425309742 0.09749089778150 22.990 > 2 3 Na 0.06378476600091 0.77453228046581 0.07249818021512 22.990 > 3 4 Na 0.18768998833663 0.30954574690258 0.09749089778150 22.990 > 4 5 Na 0.56378476600091 0.72546771953419 0.07249818021512 22.990 > 5 6 Na 0.93621523399909 0.22546771953419 0.57249818021512 22.990 > 6 7 Na 0.81231001166337 0.69045425309742 0.59749089778150 22.990 > 7 8 Na 0.31231001166337 0.80954574690258 0.59749089778150 22.990 > 8 *9 Si 0.94754539653654 0.93216060111473 0.52517207606954 28.085 > 9 10 Si 0.55245460346346 0.43216060111473 0.02517207606954 28.085 > 10 11 Si 0.44754539653654 0.56783939888527 0.52517207606954 28.085 > 11 *12 Si 0.10834752476757 0.47404217705986 0.63927741598004 28.085 > 12 13 Si 0.39165247523243 0.97404217705986 0.13927741598004 28.085 > 13 14 Si 0.89165247523243 0.52595782294014 0.13927741598004 28.085 > 14 15 Si 0.05245460346346 0.06783939888527 0.02517207606954 28.085 > 15 16 Si 0.60834752476757 0.02595782294014 0.63927741598004 28.085 > 16 *17 O 0.97170630141528 0.96164873571442 0.19337485026028 15.999 > 17 *18 O 0.05694654239217 0.48582398293537 0.96924078990351 15.999 > 18 *19 O 0.66487559774874 0.15101620479263 0.57799522066229 15.999 > 19 20 O 0.83512440225126 0.65101620479263 0.07799522066229 15.999 > 20 21 O 0.33512440225126 0.84898379520737 0.07799522066229 15.999 > 21 *22 O 0.02827968308111 0.81415994372937 0.58963064846551 15.999 > 22 *23 O 0.25135651398271 0.07063012538311 0.08391994066219 15.999 > 23 24 O 0.52829369858472 0.46164873571442 0.69337485026028 15.999 > 24 25 O 0.44305345760783 0.98582398293537 0.46924078990351 15.999 > 25 26 O 0.47172031691889 0.31415994372937 0.08963064846551 15.999 > 26 27 O 0.74864348601729 0.92936987461689 0.58391994066219 15.999 > 27 28 O 0.55694654239217 0.01417601706463 0.96924078990351 15.999 > 28 29 O 0.02829369858472 0.03835126428558 0.69337485026028 15.999 > 29 30 O 0.75135651398271 0.42936987461689 0.08391994066219 15.999 > 30 31 O 0.94305345760783 0.51417601706463 0.46924078990351 15.999 > 31 32 O 0.52827968308111 0.68584005627063 0.58963064846551 15.999 > 32 33 O 0.24864348601729 0.57063012538311 0.58391994066219 15.999 > 33 34 O 0.97172031691889 0.18584005627063 0.08963064846551 15.999 > 34 35 O 0.16487559774874 0.34898379520737 0.57799522066229 15.999 > 35 36 O 0.47170630141528 0.53835126428558 0.19337485026028 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.315299620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.995862099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.680808200000000 Atomic positions (fractional): *1 Na 0.21810761699954 0.27453228046581 0.28624909010756 22.990 > 1 2 Na 0.71810761699954 0.27453228046581 0.28624909010756 22.990 > 1 3 Na 0.21810761699954 0.27453228046581 0.78624909010756 22.990 > 1 4 Na 0.71810761699954 0.27453228046581 0.78624909010756 22.990 > 1 *5 Na 0.34384499416831 0.19045425309742 0.04874544889075 22.990 > 2 6 Na 0.84384499416831 0.19045425309742 0.04874544889075 22.990 > 2 7 Na 0.34384499416831 0.19045425309742 0.54874544889075 22.990 > 2 8 Na 0.84384499416831 0.19045425309742 0.54874544889075 22.990 > 2 9 Na 0.03189238300046 0.77453228046581 0.03624909010756 22.990 > 3 10 Na 0.53189238300046 0.77453228046581 0.03624909010756 22.990 > 3 11 Na 0.03189238300046 0.77453228046581 0.53624909010756 22.990 > 3 12 Na 0.53189238300046 0.77453228046581 0.53624909010756 22.990 > 3 13 Na 0.09384499416831 0.30954574690258 0.04874544889075 22.990 > 4 14 Na 0.59384499416831 0.30954574690258 0.04874544889075 22.990 > 4 15 Na 0.09384499416831 0.30954574690258 0.54874544889075 22.990 > 4 16 Na 0.59384499416831 0.30954574690258 0.54874544889075 22.990 > 4 17 Na 0.28189238300046 0.72546771953419 0.03624909010756 22.990 > 5 18 Na 0.78189238300046 0.72546771953419 0.03624909010756 22.990 > 5 19 Na 0.28189238300046 0.72546771953419 0.53624909010756 22.990 > 5 20 Na 0.78189238300046 0.72546771953419 0.53624909010756 22.990 > 5 21 Na 0.46810761699954 0.22546771953419 0.28624909010756 22.990 > 6 22 Na 0.96810761699954 0.22546771953419 0.28624909010756 22.990 > 6 23 Na 0.46810761699954 0.22546771953419 0.78624909010756 22.990 > 6 24 Na 0.96810761699954 0.22546771953419 0.78624909010756 22.990 > 6 25 Na 0.40615500583169 0.69045425309742 0.29874544889075 22.990 > 7 26 Na 0.90615500583169 0.69045425309742 0.29874544889075 22.990 > 7 27 Na 0.40615500583169 0.69045425309742 0.79874544889075 22.990 > 7 28 Na 0.90615500583169 0.69045425309742 0.79874544889075 22.990 > 7 29 Na 0.15615500583169 0.80954574690258 0.29874544889075 22.990 > 8 30 Na 0.65615500583169 0.80954574690258 0.29874544889075 22.990 > 8 31 Na 0.15615500583169 0.80954574690258 0.79874544889075 22.990 > 8 32 Na 0.65615500583169 0.80954574690258 0.79874544889075 22.990 > 8 *33 Si 0.47377269826827 0.93216060111473 0.26258603803477 28.085 > 9 34 Si 0.97377269826827 0.93216060111473 0.26258603803477 28.085 > 9 35 Si 0.47377269826827 0.93216060111473 0.76258603803477 28.085 > 9 36 Si 0.97377269826827 0.93216060111473 0.76258603803477 28.085 > 9 37 Si 0.27622730173173 0.43216060111473 0.01258603803477 28.085 > 10 38 Si 0.77622730173173 0.43216060111473 0.01258603803477 28.085 > 10 39 Si 0.27622730173173 0.43216060111473 0.51258603803477 28.085 > 10 40 Si 0.77622730173173 0.43216060111473 0.51258603803477 28.085 > 10 41 Si 0.22377269826827 0.56783939888527 0.26258603803477 28.085 > 11 42 Si 0.72377269826827 0.56783939888527 0.26258603803477 28.085 > 11 43 Si 0.22377269826827 0.56783939888527 0.76258603803477 28.085 > 11 44 Si 0.72377269826827 0.56783939888527 0.76258603803477 28.085 > 11 *45 Si 0.05417376238378 0.47404217705986 0.31963870799002 28.085 > 12 46 Si 0.55417376238379 0.47404217705986 0.31963870799002 28.085 > 12 47 Si 0.05417376238378 0.47404217705986 0.81963870799002 28.085 > 12 48 Si 0.55417376238379 0.47404217705986 0.81963870799002 28.085 > 12 49 Si 0.19582623761622 0.97404217705986 0.06963870799002 28.085 > 13 50 Si 0.69582623761621 0.97404217705986 0.06963870799002 28.085 > 13 51 Si 0.19582623761622 0.97404217705986 0.56963870799002 28.085 > 13 52 Si 0.69582623761621 0.97404217705986 0.56963870799002 28.085 > 13 53 Si 0.44582623761621 0.52595782294014 0.06963870799002 28.085 > 14 54 Si 0.94582623761621 0.52595782294014 0.06963870799002 28.085 > 14 55 Si 0.44582623761621 0.52595782294014 0.56963870799002 28.085 > 14 56 Si 0.94582623761621 0.52595782294014 0.56963870799002 28.085 > 14 57 Si 0.02622730173173 0.06783939888527 0.01258603803477 28.085 > 15 58 Si 0.52622730173173 0.06783939888527 0.01258603803477 28.085 > 15 59 Si 0.02622730173173 0.06783939888527 0.51258603803477 28.085 > 15 60 Si 0.52622730173173 0.06783939888527 0.51258603803477 28.085 > 15 61 Si 0.30417376238379 0.02595782294014 0.31963870799002 28.085 > 16 62 Si 0.80417376238379 0.02595782294014 0.31963870799002 28.085 > 16 63 Si 0.30417376238379 0.02595782294014 0.81963870799002 28.085 > 16 64 Si 0.80417376238379 0.02595782294014 0.81963870799002 28.085 > 16 *65 O 0.48585315070764 0.96164873571442 0.09668742513014 15.999 > 17 66 O 0.98585315070764 0.96164873571442 0.09668742513014 15.999 > 17 67 O 0.48585315070764 0.96164873571442 0.59668742513014 15.999 > 17 68 O 0.98585315070764 0.96164873571442 0.59668742513014 15.999 > 17 *69 O 0.02847327119608 0.48582398293537 0.48462039495176 15.999 > 18 70 O 0.52847327119608 0.48582398293537 0.48462039495176 15.999 > 18 71 O 0.02847327119608 0.48582398293537 0.98462039495176 15.999 > 18 72 O 0.52847327119608 0.48582398293537 0.98462039495176 15.999 > 18 *73 O 0.33243779887437 0.15101620479263 0.28899761033114 15.999 > 19 74 O 0.83243779887437 0.15101620479263 0.28899761033114 15.999 > 19 75 O 0.33243779887437 0.15101620479263 0.78899761033114 15.999 > 19 76 O 0.83243779887437 0.15101620479263 0.78899761033114 15.999 > 19 77 O 0.41756220112563 0.65101620479263 0.03899761033114 15.999 > 20 78 O 0.91756220112563 0.65101620479263 0.03899761033114 15.999 > 20 79 O 0.41756220112563 0.65101620479263 0.53899761033114 15.999 > 20 80 O 0.91756220112563 0.65101620479263 0.53899761033114 15.999 > 20 81 O 0.16756220112563 0.84898379520737 0.03899761033114 15.999 > 21 82 O 0.66756220112563 0.84898379520737 0.03899761033114 15.999 > 21 83 O 0.16756220112563 0.84898379520737 0.53899761033114 15.999 > 21 84 O 0.66756220112563 0.84898379520737 0.53899761033114 15.999 > 21 *85 O 0.01413984154056 0.81415994372937 0.29481532423276 15.999 > 22 86 O 0.51413984154056 0.81415994372937 0.29481532423276 15.999 > 22 87 O 0.01413984154056 0.81415994372937 0.79481532423276 15.999 > 22 88 O 0.51413984154056 0.81415994372937 0.79481532423276 15.999 > 22 *89 O 0.12567825699135 0.07063012538311 0.04195997033110 15.999 > 23 90 O 0.62567825699136 0.07063012538311 0.04195997033110 15.999 > 23 91 O 0.12567825699135 0.07063012538311 0.54195997033110 15.999 > 23 92 O 0.62567825699136 0.07063012538311 0.54195997033110 15.999 > 23 93 O 0.26414684929236 0.46164873571442 0.34668742513014 15.999 > 24 94 O 0.76414684929236 0.46164873571442 0.34668742513014 15.999 > 24 95 O 0.26414684929236 0.46164873571442 0.84668742513014 15.999 > 24 96 O 0.76414684929236 0.46164873571442 0.84668742513014 15.999 > 24 97 O 0.22152672880392 0.98582398293537 0.23462039495175 15.999 > 25 98 O 0.72152672880392 0.98582398293537 0.23462039495175 15.999 > 25 99 O 0.22152672880392 0.98582398293537 0.73462039495176 15.999 > 25 100 O 0.72152672880392 0.98582398293537 0.73462039495176 15.999 > 25 101 O 0.23586015845944 0.31415994372937 0.04481532423276 15.999 > 26 102 O 0.73586015845944 0.31415994372937 0.04481532423276 15.999 > 26 103 O 0.23586015845944 0.31415994372937 0.54481532423276 15.999 > 26 104 O 0.73586015845944 0.31415994372937 0.54481532423276 15.999 > 26 105 O 0.37432174300865 0.92936987461689 0.29195997033110 15.999 > 27 106 O 0.87432174300864 0.92936987461689 0.29195997033110 15.999 > 27 107 O 0.37432174300865 0.92936987461689 0.79195997033110 15.999 > 27 108 O 0.87432174300864 0.92936987461689 0.79195997033110 15.999 > 27 109 O 0.27847327119608 0.01417601706463 0.48462039495176 15.999 > 28 110 O 0.77847327119608 0.01417601706463 0.48462039495176 15.999 > 28 111 O 0.27847327119608 0.01417601706463 0.98462039495176 15.999 > 28 112 O 0.77847327119608 0.01417601706463 0.98462039495176 15.999 > 28 113 O 0.01414684929236 0.03835126428558 0.34668742513014 15.999 > 29 114 O 0.51414684929236 0.03835126428558 0.34668742513014 15.999 > 29 115 O 0.01414684929236 0.03835126428558 0.84668742513014 15.999 > 29 116 O 0.51414684929236 0.03835126428558 0.84668742513014 15.999 > 29 117 O 0.37567825699135 0.42936987461689 0.04195997033110 15.999 > 30 118 O 0.87567825699136 0.42936987461689 0.04195997033110 15.999 > 30 119 O 0.37567825699135 0.42936987461689 0.54195997033110 15.999 > 30 120 O 0.87567825699136 0.42936987461689 0.54195997033110 15.999 > 30 121 O 0.47152672880392 0.51417601706463 0.23462039495175 15.999 > 31 122 O 0.97152672880392 0.51417601706463 0.23462039495175 15.999 > 31 123 O 0.47152672880392 0.51417601706463 0.73462039495176 15.999 > 31 124 O 0.97152672880392 0.51417601706463 0.73462039495176 15.999 > 31 125 O 0.26413984154056 0.68584005627063 0.29481532423276 15.999 > 32 126 O 0.76413984154056 0.68584005627063 0.29481532423276 15.999 > 32 127 O 0.26413984154056 0.68584005627063 0.79481532423276 15.999 > 32 128 O 0.76413984154056 0.68584005627063 0.79481532423276 15.999 > 32 129 O 0.12432174300864 0.57063012538311 0.29195997033110 15.999 > 33 130 O 0.62432174300864 0.57063012538311 0.29195997033110 15.999 > 33 131 O 0.12432174300864 0.57063012538311 0.79195997033110 15.999 > 33 132 O 0.62432174300864 0.57063012538311 0.79195997033110 15.999 > 33 133 O 0.48586015845944 0.18584005627063 0.04481532423276 15.999 > 34 134 O 0.98586015845944 0.18584005627063 0.04481532423276 15.999 > 34 135 O 0.48586015845944 0.18584005627063 0.54481532423276 15.999 > 34 136 O 0.98586015845944 0.18584005627063 0.54481532423276 15.999 > 34 137 O 0.08243779887437 0.34898379520737 0.28899761033114 15.999 > 35 138 O 0.58243779887437 0.34898379520737 0.28899761033114 15.999 > 35 139 O 0.08243779887437 0.34898379520737 0.78899761033114 15.999 > 35 140 O 0.58243779887437 0.34898379520737 0.78899761033114 15.999 > 35 141 O 0.23585315070764 0.53835126428558 0.09668742513014 15.999 > 36 142 O 0.73585315070764 0.53835126428558 0.09668742513014 15.999 > 36 143 O 0.23585315070764 0.53835126428558 0.59668742513014 15.999 > 36 144 O 0.73585315070764 0.53835126428558 0.59668742513014 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4251137 0.0000000 0.0000000 0.0000000 2.3848770 0.0000000 0.0000000 0.0000000 2.4392469 -------------------------- Born effective charges -------------------------- 1 Na 0.9869943 -0.0692972 -0.0029893 -0.1193504 1.1734411 0.0161164 0.0067704 0.0321301 1.0738770 2 Na 1.0125910 0.0071104 0.0150685 -0.0954568 1.1095329 0.0042497 0.0124733 0.0114342 1.0172826 3 Na 0.9869943 0.0692972 0.0029893 0.1193504 1.1734411 0.0161164 -0.0067704 0.0321301 1.0738770 4 Na 1.0125910 -0.0071104 0.0150685 0.0954568 1.1095329 -0.0042497 0.0124733 -0.0114342 1.0172826 5 Na 0.9869943 -0.0692972 0.0029893 -0.1193504 1.1734411 -0.0161164 -0.0067704 -0.0321301 1.0738770 6 Na 0.9869943 0.0692972 -0.0029893 0.1193504 1.1734411 -0.0161164 0.0067704 -0.0321301 1.0738770 7 Na 1.0125910 -0.0071104 -0.0150685 0.0954568 1.1095329 0.0042497 -0.0124733 0.0114342 1.0172826 8 Na 1.0125910 0.0071104 -0.0150685 -0.0954568 1.1095329 -0.0042497 -0.0124733 -0.0114342 1.0172826 9 Si 3.0290087 0.0058071 -0.2741594 -0.2039826 2.6765435 -0.1742530 0.0046147 0.2055492 3.1202999 10 Si 3.0290087 -0.0058071 0.2741594 0.2039826 2.6765435 -0.1742530 -0.0046147 0.2055492 3.1202999 11 Si 3.0290087 -0.0058071 -0.2741594 0.2039826 2.6765435 0.1742530 0.0046147 -0.2055492 3.1202999 12 Si 3.2175457 0.1038549 -0.3286058 -0.1265210 2.5766172 0.0477778 0.1713818 -0.1292334 3.1208023 13 Si 3.2175457 -0.1038549 0.3286058 0.1265210 2.5766172 0.0477778 -0.1713818 -0.1292334 3.1208023 14 Si 3.2175457 0.1038549 0.3286058 -0.1265210 2.5766172 -0.0477778 -0.1713818 0.1292334 3.1208023 15 Si 3.0290087 0.0058071 0.2741594 -0.2039826 2.6765435 0.1742530 -0.0046147 -0.2055492 3.1202999 16 Si 3.2175457 -0.1038549 -0.3286058 0.1265210 2.5766172 -0.0477778 0.1713818 0.1292334 3.1208023 17 O -1.2121700 -0.2656010 0.3962142 -0.1281979 -1.5014030 0.5081551 0.3463909 0.6681996 -2.2803916 18 O -1.7329908 0.3416989 0.7012311 0.2920956 -1.0763014 -0.1899584 0.7122433 -0.2830768 -2.2752946 19 O -1.3911404 -0.1193108 0.0657366 -0.0782035 -1.7790771 0.0962183 -0.0166418 0.0630918 -1.3686065 20 O -1.3911404 0.1193108 -0.0657366 0.0782035 -1.7790771 0.0962183 0.0166418 0.0630918 -1.3686065 21 O -1.3911404 -0.1193108 -0.0657366 -0.0782035 -1.7790771 -0.0962183 0.0166418 -0.0630918 -1.3686065 22 O -1.3736469 0.1859639 -0.0095308 0.1712015 -1.7573409 0.1114184 -0.0446910 0.0499271 -1.3644932 23 O -2.5361917 0.5980375 -0.2819469 0.4102181 -1.4220123 0.0490604 -0.1938317 0.1364896 -1.0434759 24 O -1.2121700 0.2656010 -0.3962142 0.1281979 -1.5014030 0.5081551 -0.3463909 0.6681996 -2.2803916 25 O -1.7329908 -0.3416989 -0.7012311 -0.2920956 -1.0763014 -0.1899584 -0.7122433 -0.2830768 -2.2752946 26 O -1.3736469 -0.1859639 0.0095308 -0.1712015 -1.7573409 0.1114184 0.0446910 0.0499271 -1.3644932 27 O -2.5361917 0.5980375 0.2819469 0.4102181 -1.4220123 -0.0490604 0.1938317 -0.1364896 -1.0434759 28 O -1.7329908 -0.3416989 0.7012311 -0.2920956 -1.0763014 0.1899584 0.7122433 0.2830768 -2.2752946 29 O -1.2121700 -0.2656010 -0.3962142 -0.1281979 -1.5014030 -0.5081551 -0.3463909 -0.6681996 -2.2803916 30 O -2.5361917 -0.5980375 -0.2819469 -0.4102181 -1.4220123 -0.0490604 -0.1938317 -0.1364896 -1.0434759 31 O -1.7329908 0.3416989 -0.7012311 0.2920956 -1.0763014 0.1899584 -0.7122433 0.2830768 -2.2752946 32 O -1.3736469 -0.1859639 -0.0095308 -0.1712015 -1.7573409 -0.1114184 -0.0446910 -0.0499271 -1.3644932 33 O -2.5361917 -0.5980375 0.2819469 -0.4102181 -1.4220123 0.0490604 0.1938317 0.1364896 -1.0434759 34 O -1.3736469 0.1859639 0.0095308 0.1712015 -1.7573409 -0.1114184 0.0446910 -0.0499271 -1.3644932 35 O -1.3911404 0.1193108 0.0657366 0.0782035 -1.7790771 -0.0962183 -0.0166418 -0.0630918 -1.3686065 36 O -1.2121700 0.2656010 0.3962142 0.1281979 -1.5014030 -0.5081551 0.3463909 -0.6681996 -2.2803916 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5886 Number of blocks in projector: 5886 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5886, 5805), data: False |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 233), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 234), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 236), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 1120 - Time: 2.494 Solver_block: 200 / 1120 - Time: 3.822 Solver_block: 300 / 1120 - Time: 5.499 Solver_block: 400 / 1120 - Time: 2.425 Solver_block: 500 / 1120 - Time: 2.398 Solver_block: 600 / 1120 - Time: 2.347 Solver_block: 700 / 1120 - Time: 5.289 Solver_block: 800 / 1120 - Time: 2.617 Solver_block: 900 / 1120 - Time: 2.271 Solver_block: 1000 / 1120 - Time: 3.202 Solver_block: 1100 / 1120 - Time: 2.353 Solver_block: 1120 / 1120 - Time: 0.625 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 36.449 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5886 Number of blocks in projector: 5886 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5886, 5805), data: False |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 233), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 234), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 236), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:07:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:07:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.157649810000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.995862099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.840404100000000 Atomic positions (fractional): 1 Na 0.43621523399909 0.27453228046581 0.57249818021512 22.990 2 Na 0.68768998833663 0.19045425309742 0.09749089778150 22.990 3 Na 0.06378476600091 0.77453228046581 0.07249818021512 22.990 4 Na 0.18768998833663 0.30954574690258 0.09749089778150 22.990 5 Na 0.56378476600091 0.72546771953419 0.07249818021512 22.990 6 Na 0.93621523399909 0.22546771953419 0.57249818021512 22.990 7 Na 0.81231001166337 0.69045425309742 0.59749089778150 22.990 8 Na 0.31231001166337 0.80954574690258 0.59749089778150 22.990 9 Si 0.94754539653654 0.93216060111473 0.52517207606954 28.085 10 Si 0.55245460346346 0.43216060111473 0.02517207606954 28.085 11 Si 0.44754539653654 0.56783939888527 0.52517207606954 28.085 12 Si 0.10834752476757 0.47404217705986 0.63927741598004 28.085 13 Si 0.39165247523243 0.97404217705986 0.13927741598004 28.085 14 Si 0.89165247523243 0.52595782294014 0.13927741598004 28.085 15 Si 0.05245460346346 0.06783939888527 0.02517207606954 28.085 16 Si 0.60834752476757 0.02595782294014 0.63927741598004 28.085 17 O 0.97170630141528 0.96164873571442 0.19337485026028 15.999 18 O 0.05694654239217 0.48582398293537 0.96924078990351 15.999 19 O 0.66487559774874 0.15101620479263 0.57799522066229 15.999 20 O 0.83512440225126 0.65101620479263 0.07799522066229 15.999 21 O 0.33512440225126 0.84898379520737 0.07799522066229 15.999 22 O 0.02827968308111 0.81415994372937 0.58963064846551 15.999 23 O 0.25135651398271 0.07063012538311 0.08391994066219 15.999 24 O 0.52829369858472 0.46164873571442 0.69337485026028 15.999 25 O 0.44305345760783 0.98582398293537 0.46924078990351 15.999 26 O 0.47172031691889 0.31415994372937 0.08963064846551 15.999 27 O 0.74864348601729 0.92936987461689 0.58391994066219 15.999 28 O 0.55694654239217 0.01417601706463 0.96924078990351 15.999 29 O 0.02829369858472 0.03835126428558 0.69337485026028 15.999 30 O 0.75135651398271 0.42936987461689 0.08391994066219 15.999 31 O 0.94305345760783 0.51417601706463 0.46924078990351 15.999 32 O 0.52827968308111 0.68584005627063 0.58963064846551 15.999 33 O 0.24864348601729 0.57063012538311 0.58391994066219 15.999 34 O 0.97172031691889 0.18584005627063 0.08963064846551 15.999 35 O 0.16487559774874 0.34898379520737 0.57799522066229 15.999 36 O 0.47170630141528 0.53835126428558 0.19337485026028 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.315299620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.995862099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.680808200000000 Atomic positions (fractional): 1 Na 0.21810761699954 0.27453228046581 0.28624909010756 22.990 > 1 2 Na 0.71810761699954 0.27453228046581 0.28624909010756 22.990 > 1 3 Na 0.21810761699954 0.27453228046581 0.78624909010756 22.990 > 1 4 Na 0.71810761699954 0.27453228046581 0.78624909010756 22.990 > 1 5 Na 0.34384499416831 0.19045425309742 0.04874544889075 22.990 > 5 6 Na 0.84384499416831 0.19045425309742 0.04874544889075 22.990 > 5 7 Na 0.34384499416831 0.19045425309742 0.54874544889075 22.990 > 5 8 Na 0.84384499416831 0.19045425309742 0.54874544889075 22.990 > 5 9 Na 0.03189238300046 0.77453228046581 0.03624909010756 22.990 > 9 10 Na 0.53189238300046 0.77453228046581 0.03624909010756 22.990 > 9 11 Na 0.03189238300046 0.77453228046581 0.53624909010756 22.990 > 9 12 Na 0.53189238300046 0.77453228046581 0.53624909010756 22.990 > 9 13 Na 0.09384499416831 0.30954574690258 0.04874544889075 22.990 > 13 14 Na 0.59384499416831 0.30954574690258 0.04874544889075 22.990 > 13 15 Na 0.09384499416831 0.30954574690258 0.54874544889075 22.990 > 13 16 Na 0.59384499416831 0.30954574690258 0.54874544889075 22.990 > 13 17 Na 0.28189238300046 0.72546771953419 0.03624909010756 22.990 > 17 18 Na 0.78189238300046 0.72546771953419 0.03624909010756 22.990 > 17 19 Na 0.28189238300046 0.72546771953419 0.53624909010756 22.990 > 17 20 Na 0.78189238300046 0.72546771953419 0.53624909010756 22.990 > 17 21 Na 0.46810761699954 0.22546771953419 0.28624909010756 22.990 > 21 22 Na 0.96810761699954 0.22546771953419 0.28624909010756 22.990 > 21 23 Na 0.46810761699954 0.22546771953419 0.78624909010756 22.990 > 21 24 Na 0.96810761699954 0.22546771953419 0.78624909010756 22.990 > 21 25 Na 0.40615500583169 0.69045425309742 0.29874544889075 22.990 > 25 26 Na 0.90615500583169 0.69045425309742 0.29874544889075 22.990 > 25 27 Na 0.40615500583169 0.69045425309742 0.79874544889075 22.990 > 25 28 Na 0.90615500583169 0.69045425309742 0.79874544889075 22.990 > 25 29 Na 0.15615500583169 0.80954574690258 0.29874544889075 22.990 > 29 30 Na 0.65615500583169 0.80954574690258 0.29874544889075 22.990 > 29 31 Na 0.15615500583169 0.80954574690258 0.79874544889075 22.990 > 29 32 Na 0.65615500583169 0.80954574690258 0.79874544889075 22.990 > 29 33 Si 0.47377269826827 0.93216060111473 0.26258603803477 28.085 > 33 34 Si 0.97377269826827 0.93216060111473 0.26258603803477 28.085 > 33 35 Si 0.47377269826827 0.93216060111473 0.76258603803477 28.085 > 33 36 Si 0.97377269826827 0.93216060111473 0.76258603803477 28.085 > 33 37 Si 0.27622730173173 0.43216060111473 0.01258603803477 28.085 > 37 38 Si 0.77622730173173 0.43216060111473 0.01258603803477 28.085 > 37 39 Si 0.27622730173173 0.43216060111473 0.51258603803477 28.085 > 37 40 Si 0.77622730173173 0.43216060111473 0.51258603803477 28.085 > 37 41 Si 0.22377269826827 0.56783939888527 0.26258603803477 28.085 > 41 42 Si 0.72377269826827 0.56783939888527 0.26258603803477 28.085 > 41 43 Si 0.22377269826827 0.56783939888527 0.76258603803477 28.085 > 41 44 Si 0.72377269826827 0.56783939888527 0.76258603803477 28.085 > 41 45 Si 0.05417376238378 0.47404217705986 0.31963870799002 28.085 > 45 46 Si 0.55417376238379 0.47404217705986 0.31963870799002 28.085 > 45 47 Si 0.05417376238378 0.47404217705986 0.81963870799002 28.085 > 45 48 Si 0.55417376238379 0.47404217705986 0.81963870799002 28.085 > 45 49 Si 0.19582623761622 0.97404217705986 0.06963870799002 28.085 > 49 50 Si 0.69582623761621 0.97404217705986 0.06963870799002 28.085 > 49 51 Si 0.19582623761622 0.97404217705986 0.56963870799002 28.085 > 49 52 Si 0.69582623761621 0.97404217705986 0.56963870799002 28.085 > 49 53 Si 0.44582623761621 0.52595782294014 0.06963870799002 28.085 > 53 54 Si 0.94582623761621 0.52595782294014 0.06963870799002 28.085 > 53 55 Si 0.44582623761621 0.52595782294014 0.56963870799002 28.085 > 53 56 Si 0.94582623761621 0.52595782294014 0.56963870799002 28.085 > 53 57 Si 0.02622730173173 0.06783939888527 0.01258603803477 28.085 > 57 58 Si 0.52622730173173 0.06783939888527 0.01258603803477 28.085 > 57 59 Si 0.02622730173173 0.06783939888527 0.51258603803477 28.085 > 57 60 Si 0.52622730173173 0.06783939888527 0.51258603803477 28.085 > 57 61 Si 0.30417376238379 0.02595782294014 0.31963870799002 28.085 > 61 62 Si 0.80417376238379 0.02595782294014 0.31963870799002 28.085 > 61 63 Si 0.30417376238379 0.02595782294014 0.81963870799002 28.085 > 61 64 Si 0.80417376238379 0.02595782294014 0.81963870799002 28.085 > 61 65 O 0.48585315070764 0.96164873571442 0.09668742513014 15.999 > 65 66 O 0.98585315070764 0.96164873571442 0.09668742513014 15.999 > 65 67 O 0.48585315070764 0.96164873571442 0.59668742513014 15.999 > 65 68 O 0.98585315070764 0.96164873571442 0.59668742513014 15.999 > 65 69 O 0.02847327119608 0.48582398293537 0.48462039495176 15.999 > 69 70 O 0.52847327119608 0.48582398293537 0.48462039495176 15.999 > 69 71 O 0.02847327119608 0.48582398293537 0.98462039495176 15.999 > 69 72 O 0.52847327119608 0.48582398293537 0.98462039495176 15.999 > 69 73 O 0.33243779887437 0.15101620479263 0.28899761033114 15.999 > 73 74 O 0.83243779887437 0.15101620479263 0.28899761033114 15.999 > 73 75 O 0.33243779887437 0.15101620479263 0.78899761033114 15.999 > 73 76 O 0.83243779887437 0.15101620479263 0.78899761033114 15.999 > 73 77 O 0.41756220112563 0.65101620479263 0.03899761033114 15.999 > 77 78 O 0.91756220112563 0.65101620479263 0.03899761033114 15.999 > 77 79 O 0.41756220112563 0.65101620479263 0.53899761033114 15.999 > 77 80 O 0.91756220112563 0.65101620479263 0.53899761033114 15.999 > 77 81 O 0.16756220112563 0.84898379520737 0.03899761033114 15.999 > 81 82 O 0.66756220112563 0.84898379520737 0.03899761033114 15.999 > 81 83 O 0.16756220112563 0.84898379520737 0.53899761033114 15.999 > 81 84 O 0.66756220112563 0.84898379520737 0.53899761033114 15.999 > 81 85 O 0.01413984154056 0.81415994372937 0.29481532423276 15.999 > 85 86 O 0.51413984154056 0.81415994372937 0.29481532423276 15.999 > 85 87 O 0.01413984154056 0.81415994372937 0.79481532423276 15.999 > 85 88 O 0.51413984154056 0.81415994372937 0.79481532423276 15.999 > 85 89 O 0.12567825699135 0.07063012538311 0.04195997033110 15.999 > 89 90 O 0.62567825699136 0.07063012538311 0.04195997033110 15.999 > 89 91 O 0.12567825699135 0.07063012538311 0.54195997033110 15.999 > 89 92 O 0.62567825699136 0.07063012538311 0.54195997033110 15.999 > 89 93 O 0.26414684929236 0.46164873571442 0.34668742513014 15.999 > 93 94 O 0.76414684929236 0.46164873571442 0.34668742513014 15.999 > 93 95 O 0.26414684929236 0.46164873571442 0.84668742513014 15.999 > 93 96 O 0.76414684929236 0.46164873571442 0.84668742513014 15.999 > 93 97 O 0.22152672880392 0.98582398293537 0.23462039495175 15.999 > 97 98 O 0.72152672880392 0.98582398293537 0.23462039495175 15.999 > 97 99 O 0.22152672880392 0.98582398293537 0.73462039495176 15.999 > 97 100 O 0.72152672880392 0.98582398293537 0.73462039495176 15.999 > 97 101 O 0.23586015845944 0.31415994372937 0.04481532423276 15.999 > 101 102 O 0.73586015845944 0.31415994372937 0.04481532423276 15.999 > 101 103 O 0.23586015845944 0.31415994372937 0.54481532423276 15.999 > 101 104 O 0.73586015845944 0.31415994372937 0.54481532423276 15.999 > 101 105 O 0.37432174300865 0.92936987461689 0.29195997033110 15.999 > 105 106 O 0.87432174300864 0.92936987461689 0.29195997033110 15.999 > 105 107 O 0.37432174300865 0.92936987461689 0.79195997033110 15.999 > 105 108 O 0.87432174300864 0.92936987461689 0.79195997033110 15.999 > 105 109 O 0.27847327119608 0.01417601706463 0.48462039495176 15.999 > 109 110 O 0.77847327119608 0.01417601706463 0.48462039495176 15.999 > 109 111 O 0.27847327119608 0.01417601706463 0.98462039495176 15.999 > 109 112 O 0.77847327119608 0.01417601706463 0.98462039495176 15.999 > 109 113 O 0.01414684929236 0.03835126428558 0.34668742513014 15.999 > 113 114 O 0.51414684929236 0.03835126428558 0.34668742513014 15.999 > 113 115 O 0.01414684929236 0.03835126428558 0.84668742513014 15.999 > 113 116 O 0.51414684929236 0.03835126428558 0.84668742513014 15.999 > 113 117 O 0.37567825699135 0.42936987461689 0.04195997033110 15.999 > 117 118 O 0.87567825699136 0.42936987461689 0.04195997033110 15.999 > 117 119 O 0.37567825699135 0.42936987461689 0.54195997033110 15.999 > 117 120 O 0.87567825699136 0.42936987461689 0.54195997033110 15.999 > 117 121 O 0.47152672880392 0.51417601706463 0.23462039495175 15.999 > 121 122 O 0.97152672880392 0.51417601706463 0.23462039495175 15.999 > 121 123 O 0.47152672880392 0.51417601706463 0.73462039495176 15.999 > 121 124 O 0.97152672880392 0.51417601706463 0.73462039495176 15.999 > 121 125 O 0.26413984154056 0.68584005627063 0.29481532423276 15.999 > 125 126 O 0.76413984154056 0.68584005627063 0.29481532423276 15.999 > 125 127 O 0.26413984154056 0.68584005627063 0.79481532423276 15.999 > 125 128 O 0.76413984154056 0.68584005627063 0.79481532423276 15.999 > 125 129 O 0.12432174300864 0.57063012538311 0.29195997033110 15.999 > 129 130 O 0.62432174300864 0.57063012538311 0.29195997033110 15.999 > 129 131 O 0.12432174300864 0.57063012538311 0.79195997033110 15.999 > 129 132 O 0.62432174300864 0.57063012538311 0.79195997033110 15.999 > 129 133 O 0.48586015845944 0.18584005627063 0.04481532423276 15.999 > 133 134 O 0.98586015845944 0.18584005627063 0.04481532423276 15.999 > 133 135 O 0.48586015845944 0.18584005627063 0.54481532423276 15.999 > 133 136 O 0.98586015845944 0.18584005627063 0.54481532423276 15.999 > 133 137 O 0.08243779887437 0.34898379520737 0.28899761033114 15.999 > 137 138 O 0.58243779887437 0.34898379520737 0.28899761033114 15.999 > 137 139 O 0.08243779887437 0.34898379520737 0.78899761033114 15.999 > 137 140 O 0.58243779887437 0.34898379520737 0.78899761033114 15.999 > 137 141 O 0.23585315070764 0.53835126428558 0.09668742513014 15.999 > 141 142 O 0.73585315070764 0.53835126428558 0.09668742513014 15.999 > 141 143 O 0.23585315070764 0.53835126428558 0.59668742513014 15.999 > 141 144 O 0.73585315070764 0.53835126428558 0.59668742513014 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4251137 0.0000000 0.0000000 0.0000000 2.3848770 0.0000000 0.0000000 0.0000000 2.4392469 -------------------------- Born effective charges -------------------------- 1 Na 0.9869943 -0.0692972 -0.0029893 -0.1193504 1.1734411 0.0161164 0.0067704 0.0321301 1.0738770 2 Na 1.0125910 0.0071104 0.0150685 -0.0954568 1.1095329 0.0042497 0.0124733 0.0114342 1.0172826 3 Na 0.9869943 0.0692972 0.0029893 0.1193504 1.1734411 0.0161164 -0.0067704 0.0321301 1.0738770 4 Na 1.0125910 -0.0071104 0.0150685 0.0954568 1.1095329 -0.0042497 0.0124733 -0.0114342 1.0172826 5 Na 0.9869943 -0.0692972 0.0029893 -0.1193504 1.1734411 -0.0161164 -0.0067704 -0.0321301 1.0738770 6 Na 0.9869943 0.0692972 -0.0029893 0.1193504 1.1734411 -0.0161164 0.0067704 -0.0321301 1.0738770 7 Na 1.0125910 -0.0071104 -0.0150685 0.0954568 1.1095329 0.0042497 -0.0124733 0.0114342 1.0172826 8 Na 1.0125910 0.0071104 -0.0150685 -0.0954568 1.1095329 -0.0042497 -0.0124733 -0.0114342 1.0172826 9 Si 3.0290087 0.0058071 -0.2741594 -0.2039826 2.6765435 -0.1742530 0.0046147 0.2055492 3.1202999 10 Si 3.0290087 -0.0058071 0.2741594 0.2039826 2.6765435 -0.1742530 -0.0046147 0.2055492 3.1202999 11 Si 3.0290087 -0.0058071 -0.2741594 0.2039826 2.6765435 0.1742530 0.0046147 -0.2055492 3.1202999 12 Si 3.2175457 0.1038549 -0.3286058 -0.1265210 2.5766172 0.0477778 0.1713818 -0.1292334 3.1208023 13 Si 3.2175457 -0.1038549 0.3286058 0.1265210 2.5766172 0.0477778 -0.1713818 -0.1292334 3.1208023 14 Si 3.2175457 0.1038549 0.3286058 -0.1265210 2.5766172 -0.0477778 -0.1713818 0.1292334 3.1208023 15 Si 3.0290087 0.0058071 0.2741594 -0.2039826 2.6765435 0.1742530 -0.0046147 -0.2055492 3.1202999 16 Si 3.2175457 -0.1038549 -0.3286058 0.1265210 2.5766172 -0.0477778 0.1713818 0.1292334 3.1208023 17 O -1.2121700 -0.2656010 0.3962142 -0.1281979 -1.5014030 0.5081551 0.3463909 0.6681996 -2.2803916 18 O -1.7329908 0.3416989 0.7012311 0.2920956 -1.0763014 -0.1899584 0.7122433 -0.2830768 -2.2752946 19 O -1.3911404 -0.1193108 0.0657366 -0.0782035 -1.7790771 0.0962183 -0.0166418 0.0630918 -1.3686065 20 O -1.3911404 0.1193108 -0.0657366 0.0782035 -1.7790771 0.0962183 0.0166418 0.0630918 -1.3686065 21 O -1.3911404 -0.1193108 -0.0657366 -0.0782035 -1.7790771 -0.0962183 0.0166418 -0.0630918 -1.3686065 22 O -1.3736469 0.1859639 -0.0095308 0.1712015 -1.7573409 0.1114184 -0.0446910 0.0499271 -1.3644932 23 O -2.5361917 0.5980375 -0.2819469 0.4102181 -1.4220123 0.0490604 -0.1938317 0.1364896 -1.0434759 24 O -1.2121700 0.2656010 -0.3962142 0.1281979 -1.5014030 0.5081551 -0.3463909 0.6681996 -2.2803916 25 O -1.7329908 -0.3416989 -0.7012311 -0.2920956 -1.0763014 -0.1899584 -0.7122433 -0.2830768 -2.2752946 26 O -1.3736469 -0.1859639 0.0095308 -0.1712015 -1.7573409 0.1114184 0.0446910 0.0499271 -1.3644932 27 O -2.5361917 0.5980375 0.2819469 0.4102181 -1.4220123 -0.0490604 0.1938317 -0.1364896 -1.0434759 28 O -1.7329908 -0.3416989 0.7012311 -0.2920956 -1.0763014 0.1899584 0.7122433 0.2830768 -2.2752946 29 O -1.2121700 -0.2656010 -0.3962142 -0.1281979 -1.5014030 -0.5081551 -0.3463909 -0.6681996 -2.2803916 30 O -2.5361917 -0.5980375 -0.2819469 -0.4102181 -1.4220123 -0.0490604 -0.1938317 -0.1364896 -1.0434759 31 O -1.7329908 0.3416989 -0.7012311 0.2920956 -1.0763014 0.1899584 -0.7122433 0.2830768 -2.2752946 32 O -1.3736469 -0.1859639 -0.0095308 -0.1712015 -1.7573409 -0.1114184 -0.0446910 -0.0499271 -1.3644932 33 O -2.5361917 -0.5980375 0.2819469 -0.4102181 -1.4220123 0.0490604 0.1938317 0.1364896 -1.0434759 34 O -1.3736469 0.1859639 0.0095308 0.1712015 -1.7573409 -0.1114184 0.0446910 -0.0499271 -1.3644932 35 O -1.3911404 0.1193108 0.0657366 0.0782035 -1.7790771 -0.0962183 -0.0166418 -0.0630918 -1.3686065 36 O -1.2121700 0.2656010 0.3962142 0.1281979 -1.5014030 -0.5081551 0.3463909 -0.6681996 -2.2803916 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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[ 89, 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: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:08:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:08:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.157649810000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.995862099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.840404100000000 Atomic positions (fractional): 1 Na 0.43621523399909 0.27453228046581 0.57249818021512 22.990 2 Na 0.68768998833663 0.19045425309742 0.09749089778150 22.990 3 Na 0.06378476600091 0.77453228046581 0.07249818021512 22.990 4 Na 0.18768998833663 0.30954574690258 0.09749089778150 22.990 5 Na 0.56378476600091 0.72546771953419 0.07249818021512 22.990 6 Na 0.93621523399909 0.22546771953419 0.57249818021512 22.990 7 Na 0.81231001166337 0.69045425309742 0.59749089778150 22.990 8 Na 0.31231001166337 0.80954574690258 0.59749089778150 22.990 9 Si 0.94754539653654 0.93216060111473 0.52517207606954 28.085 10 Si 0.55245460346346 0.43216060111473 0.02517207606954 28.085 11 Si 0.44754539653654 0.56783939888527 0.52517207606954 28.085 12 Si 0.10834752476757 0.47404217705986 0.63927741598004 28.085 13 Si 0.39165247523243 0.97404217705986 0.13927741598004 28.085 14 Si 0.89165247523243 0.52595782294014 0.13927741598004 28.085 15 Si 0.05245460346346 0.06783939888527 0.02517207606954 28.085 16 Si 0.60834752476757 0.02595782294014 0.63927741598004 28.085 17 O 0.97170630141528 0.96164873571442 0.19337485026028 15.999 18 O 0.05694654239217 0.48582398293537 0.96924078990351 15.999 19 O 0.66487559774874 0.15101620479263 0.57799522066229 15.999 20 O 0.83512440225126 0.65101620479263 0.07799522066229 15.999 21 O 0.33512440225126 0.84898379520737 0.07799522066229 15.999 22 O 0.02827968308111 0.81415994372937 0.58963064846551 15.999 23 O 0.25135651398271 0.07063012538311 0.08391994066219 15.999 24 O 0.52829369858472 0.46164873571442 0.69337485026028 15.999 25 O 0.44305345760783 0.98582398293537 0.46924078990351 15.999 26 O 0.47172031691889 0.31415994372937 0.08963064846551 15.999 27 O 0.74864348601729 0.92936987461689 0.58391994066219 15.999 28 O 0.55694654239217 0.01417601706463 0.96924078990351 15.999 29 O 0.02829369858472 0.03835126428558 0.69337485026028 15.999 30 O 0.75135651398271 0.42936987461689 0.08391994066219 15.999 31 O 0.94305345760783 0.51417601706463 0.46924078990351 15.999 32 O 0.52827968308111 0.68584005627063 0.58963064846551 15.999 33 O 0.24864348601729 0.57063012538311 0.58391994066219 15.999 34 O 0.97172031691889 0.18584005627063 0.08963064846551 15.999 35 O 0.16487559774874 0.34898379520737 0.57799522066229 15.999 36 O 0.47170630141528 0.53835126428558 0.19337485026028 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.315299620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.995862099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.680808200000000 Atomic positions (fractional): 1 Na 0.21810761699954 0.27453228046581 0.28624909010756 22.990 > 1 2 Na 0.71810761699954 0.27453228046581 0.28624909010756 22.990 > 1 3 Na 0.21810761699954 0.27453228046581 0.78624909010756 22.990 > 1 4 Na 0.71810761699954 0.27453228046581 0.78624909010756 22.990 > 1 5 Na 0.34384499416831 0.19045425309742 0.04874544889075 22.990 > 5 6 Na 0.84384499416831 0.19045425309742 0.04874544889075 22.990 > 5 7 Na 0.34384499416831 0.19045425309742 0.54874544889075 22.990 > 5 8 Na 0.84384499416831 0.19045425309742 0.54874544889075 22.990 > 5 9 Na 0.03189238300046 0.77453228046581 0.03624909010756 22.990 > 9 10 Na 0.53189238300046 0.77453228046581 0.03624909010756 22.990 > 9 11 Na 0.03189238300046 0.77453228046581 0.53624909010756 22.990 > 9 12 Na 0.53189238300046 0.77453228046581 0.53624909010756 22.990 > 9 13 Na 0.09384499416831 0.30954574690258 0.04874544889075 22.990 > 13 14 Na 0.59384499416831 0.30954574690258 0.04874544889075 22.990 > 13 15 Na 0.09384499416831 0.30954574690258 0.54874544889075 22.990 > 13 16 Na 0.59384499416831 0.30954574690258 0.54874544889075 22.990 > 13 17 Na 0.28189238300046 0.72546771953419 0.03624909010756 22.990 > 17 18 Na 0.78189238300046 0.72546771953419 0.03624909010756 22.990 > 17 19 Na 0.28189238300046 0.72546771953419 0.53624909010756 22.990 > 17 20 Na 0.78189238300046 0.72546771953419 0.53624909010756 22.990 > 17 21 Na 0.46810761699954 0.22546771953419 0.28624909010756 22.990 > 21 22 Na 0.96810761699954 0.22546771953419 0.28624909010756 22.990 > 21 23 Na 0.46810761699954 0.22546771953419 0.78624909010756 22.990 > 21 24 Na 0.96810761699954 0.22546771953419 0.78624909010756 22.990 > 21 25 Na 0.40615500583169 0.69045425309742 0.29874544889075 22.990 > 25 26 Na 0.90615500583169 0.69045425309742 0.29874544889075 22.990 > 25 27 Na 0.40615500583169 0.69045425309742 0.79874544889075 22.990 > 25 28 Na 0.90615500583169 0.69045425309742 0.79874544889075 22.990 > 25 29 Na 0.15615500583169 0.80954574690258 0.29874544889075 22.990 > 29 30 Na 0.65615500583169 0.80954574690258 0.29874544889075 22.990 > 29 31 Na 0.15615500583169 0.80954574690258 0.79874544889075 22.990 > 29 32 Na 0.65615500583169 0.80954574690258 0.79874544889075 22.990 > 29 33 Si 0.47377269826827 0.93216060111473 0.26258603803477 28.085 > 33 34 Si 0.97377269826827 0.93216060111473 0.26258603803477 28.085 > 33 35 Si 0.47377269826827 0.93216060111473 0.76258603803477 28.085 > 33 36 Si 0.97377269826827 0.93216060111473 0.76258603803477 28.085 > 33 37 Si 0.27622730173173 0.43216060111473 0.01258603803477 28.085 > 37 38 Si 0.77622730173173 0.43216060111473 0.01258603803477 28.085 > 37 39 Si 0.27622730173173 0.43216060111473 0.51258603803477 28.085 > 37 40 Si 0.77622730173173 0.43216060111473 0.51258603803477 28.085 > 37 41 Si 0.22377269826827 0.56783939888527 0.26258603803477 28.085 > 41 42 Si 0.72377269826827 0.56783939888527 0.26258603803477 28.085 > 41 43 Si 0.22377269826827 0.56783939888527 0.76258603803477 28.085 > 41 44 Si 0.72377269826827 0.56783939888527 0.76258603803477 28.085 > 41 45 Si 0.05417376238378 0.47404217705986 0.31963870799002 28.085 > 45 46 Si 0.55417376238379 0.47404217705986 0.31963870799002 28.085 > 45 47 Si 0.05417376238378 0.47404217705986 0.81963870799002 28.085 > 45 48 Si 0.55417376238379 0.47404217705986 0.81963870799002 28.085 > 45 49 Si 0.19582623761622 0.97404217705986 0.06963870799002 28.085 > 49 50 Si 0.69582623761621 0.97404217705986 0.06963870799002 28.085 > 49 51 Si 0.19582623761622 0.97404217705986 0.56963870799002 28.085 > 49 52 Si 0.69582623761621 0.97404217705986 0.56963870799002 28.085 > 49 53 Si 0.44582623761621 0.52595782294014 0.06963870799002 28.085 > 53 54 Si 0.94582623761621 0.52595782294014 0.06963870799002 28.085 > 53 55 Si 0.44582623761621 0.52595782294014 0.56963870799002 28.085 > 53 56 Si 0.94582623761621 0.52595782294014 0.56963870799002 28.085 > 53 57 Si 0.02622730173173 0.06783939888527 0.01258603803477 28.085 > 57 58 Si 0.52622730173173 0.06783939888527 0.01258603803477 28.085 > 57 59 Si 0.02622730173173 0.06783939888527 0.51258603803477 28.085 > 57 60 Si 0.52622730173173 0.06783939888527 0.51258603803477 28.085 > 57 61 Si 0.30417376238379 0.02595782294014 0.31963870799002 28.085 > 61 62 Si 0.80417376238379 0.02595782294014 0.31963870799002 28.085 > 61 63 Si 0.30417376238379 0.02595782294014 0.81963870799002 28.085 > 61 64 Si 0.80417376238379 0.02595782294014 0.81963870799002 28.085 > 61 65 O 0.48585315070764 0.96164873571442 0.09668742513014 15.999 > 65 66 O 0.98585315070764 0.96164873571442 0.09668742513014 15.999 > 65 67 O 0.48585315070764 0.96164873571442 0.59668742513014 15.999 > 65 68 O 0.98585315070764 0.96164873571442 0.59668742513014 15.999 > 65 69 O 0.02847327119608 0.48582398293537 0.48462039495176 15.999 > 69 70 O 0.52847327119608 0.48582398293537 0.48462039495176 15.999 > 69 71 O 0.02847327119608 0.48582398293537 0.98462039495176 15.999 > 69 72 O 0.52847327119608 0.48582398293537 0.98462039495176 15.999 > 69 73 O 0.33243779887437 0.15101620479263 0.28899761033114 15.999 > 73 74 O 0.83243779887437 0.15101620479263 0.28899761033114 15.999 > 73 75 O 0.33243779887437 0.15101620479263 0.78899761033114 15.999 > 73 76 O 0.83243779887437 0.15101620479263 0.78899761033114 15.999 > 73 77 O 0.41756220112563 0.65101620479263 0.03899761033114 15.999 > 77 78 O 0.91756220112563 0.65101620479263 0.03899761033114 15.999 > 77 79 O 0.41756220112563 0.65101620479263 0.53899761033114 15.999 > 77 80 O 0.91756220112563 0.65101620479263 0.53899761033114 15.999 > 77 81 O 0.16756220112563 0.84898379520737 0.03899761033114 15.999 > 81 82 O 0.66756220112563 0.84898379520737 0.03899761033114 15.999 > 81 83 O 0.16756220112563 0.84898379520737 0.53899761033114 15.999 > 81 84 O 0.66756220112563 0.84898379520737 0.53899761033114 15.999 > 81 85 O 0.01413984154056 0.81415994372937 0.29481532423276 15.999 > 85 86 O 0.51413984154056 0.81415994372937 0.29481532423276 15.999 > 85 87 O 0.01413984154056 0.81415994372937 0.79481532423276 15.999 > 85 88 O 0.51413984154056 0.81415994372937 0.79481532423276 15.999 > 85 89 O 0.12567825699135 0.07063012538311 0.04195997033110 15.999 > 89 90 O 0.62567825699136 0.07063012538311 0.04195997033110 15.999 > 89 91 O 0.12567825699135 0.07063012538311 0.54195997033110 15.999 > 89 92 O 0.62567825699136 0.07063012538311 0.54195997033110 15.999 > 89 93 O 0.26414684929236 0.46164873571442 0.34668742513014 15.999 > 93 94 O 0.76414684929236 0.46164873571442 0.34668742513014 15.999 > 93 95 O 0.26414684929236 0.46164873571442 0.84668742513014 15.999 > 93 96 O 0.76414684929236 0.46164873571442 0.84668742513014 15.999 > 93 97 O 0.22152672880392 0.98582398293537 0.23462039495175 15.999 > 97 98 O 0.72152672880392 0.98582398293537 0.23462039495175 15.999 > 97 99 O 0.22152672880392 0.98582398293537 0.73462039495176 15.999 > 97 100 O 0.72152672880392 0.98582398293537 0.73462039495176 15.999 > 97 101 O 0.23586015845944 0.31415994372937 0.04481532423276 15.999 > 101 102 O 0.73586015845944 0.31415994372937 0.04481532423276 15.999 > 101 103 O 0.23586015845944 0.31415994372937 0.54481532423276 15.999 > 101 104 O 0.73586015845944 0.31415994372937 0.54481532423276 15.999 > 101 105 O 0.37432174300865 0.92936987461689 0.29195997033110 15.999 > 105 106 O 0.87432174300864 0.92936987461689 0.29195997033110 15.999 > 105 107 O 0.37432174300865 0.92936987461689 0.79195997033110 15.999 > 105 108 O 0.87432174300864 0.92936987461689 0.79195997033110 15.999 > 105 109 O 0.27847327119608 0.01417601706463 0.48462039495176 15.999 > 109 110 O 0.77847327119608 0.01417601706463 0.48462039495176 15.999 > 109 111 O 0.27847327119608 0.01417601706463 0.98462039495176 15.999 > 109 112 O 0.77847327119608 0.01417601706463 0.98462039495176 15.999 > 109 113 O 0.01414684929236 0.03835126428558 0.34668742513014 15.999 > 113 114 O 0.51414684929236 0.03835126428558 0.34668742513014 15.999 > 113 115 O 0.01414684929236 0.03835126428558 0.84668742513014 15.999 > 113 116 O 0.51414684929236 0.03835126428558 0.84668742513014 15.999 > 113 117 O 0.37567825699135 0.42936987461689 0.04195997033110 15.999 > 117 118 O 0.87567825699136 0.42936987461689 0.04195997033110 15.999 > 117 119 O 0.37567825699135 0.42936987461689 0.54195997033110 15.999 > 117 120 O 0.87567825699136 0.42936987461689 0.54195997033110 15.999 > 117 121 O 0.47152672880392 0.51417601706463 0.23462039495175 15.999 > 121 122 O 0.97152672880392 0.51417601706463 0.23462039495175 15.999 > 121 123 O 0.47152672880392 0.51417601706463 0.73462039495176 15.999 > 121 124 O 0.97152672880392 0.51417601706463 0.73462039495176 15.999 > 121 125 O 0.26413984154056 0.68584005627063 0.29481532423276 15.999 > 125 126 O 0.76413984154056 0.68584005627063 0.29481532423276 15.999 > 125 127 O 0.26413984154056 0.68584005627063 0.79481532423276 15.999 > 125 128 O 0.76413984154056 0.68584005627063 0.79481532423276 15.999 > 125 129 O 0.12432174300864 0.57063012538311 0.29195997033110 15.999 > 129 130 O 0.62432174300864 0.57063012538311 0.29195997033110 15.999 > 129 131 O 0.12432174300864 0.57063012538311 0.79195997033110 15.999 > 129 132 O 0.62432174300864 0.57063012538311 0.79195997033110 15.999 > 129 133 O 0.48586015845944 0.18584005627063 0.04481532423276 15.999 > 133 134 O 0.98586015845944 0.18584005627063 0.04481532423276 15.999 > 133 135 O 0.48586015845944 0.18584005627063 0.54481532423276 15.999 > 133 136 O 0.98586015845944 0.18584005627063 0.54481532423276 15.999 > 133 137 O 0.08243779887437 0.34898379520737 0.28899761033114 15.999 > 137 138 O 0.58243779887437 0.34898379520737 0.28899761033114 15.999 > 137 139 O 0.08243779887437 0.34898379520737 0.78899761033114 15.999 > 137 140 O 0.58243779887437 0.34898379520737 0.78899761033114 15.999 > 137 141 O 0.23585315070764 0.53835126428558 0.09668742513014 15.999 > 141 142 O 0.73585315070764 0.53835126428558 0.09668742513014 15.999 > 141 143 O 0.23585315070764 0.53835126428558 0.59668742513014 15.999 > 141 144 O 0.73585315070764 0.53835126428558 0.59668742513014 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4251137 0.0000000 0.0000000 0.0000000 2.3848770 0.0000000 0.0000000 0.0000000 2.4392469 -------------------------- Born effective charges -------------------------- 1 Na 0.9869943 -0.0692972 -0.0029893 -0.1193504 1.1734411 0.0161164 0.0067704 0.0321301 1.0738770 2 Na 1.0125910 0.0071104 0.0150685 -0.0954568 1.1095329 0.0042497 0.0124733 0.0114342 1.0172826 3 Na 0.9869943 0.0692972 0.0029893 0.1193504 1.1734411 0.0161164 -0.0067704 0.0321301 1.0738770 4 Na 1.0125910 -0.0071104 0.0150685 0.0954568 1.1095329 -0.0042497 0.0124733 -0.0114342 1.0172826 5 Na 0.9869943 -0.0692972 0.0029893 -0.1193504 1.1734411 -0.0161164 -0.0067704 -0.0321301 1.0738770 6 Na 0.9869943 0.0692972 -0.0029893 0.1193504 1.1734411 -0.0161164 0.0067704 -0.0321301 1.0738770 7 Na 1.0125910 -0.0071104 -0.0150685 0.0954568 1.1095329 0.0042497 -0.0124733 0.0114342 1.0172826 8 Na 1.0125910 0.0071104 -0.0150685 -0.0954568 1.1095329 -0.0042497 -0.0124733 -0.0114342 1.0172826 9 Si 3.0290087 0.0058071 -0.2741594 -0.2039826 2.6765435 -0.1742530 0.0046147 0.2055492 3.1202999 10 Si 3.0290087 -0.0058071 0.2741594 0.2039826 2.6765435 -0.1742530 -0.0046147 0.2055492 3.1202999 11 Si 3.0290087 -0.0058071 -0.2741594 0.2039826 2.6765435 0.1742530 0.0046147 -0.2055492 3.1202999 12 Si 3.2175457 0.1038549 -0.3286058 -0.1265210 2.5766172 0.0477778 0.1713818 -0.1292334 3.1208023 13 Si 3.2175457 -0.1038549 0.3286058 0.1265210 2.5766172 0.0477778 -0.1713818 -0.1292334 3.1208023 14 Si 3.2175457 0.1038549 0.3286058 -0.1265210 2.5766172 -0.0477778 -0.1713818 0.1292334 3.1208023 15 Si 3.0290087 0.0058071 0.2741594 -0.2039826 2.6765435 0.1742530 -0.0046147 -0.2055492 3.1202999 16 Si 3.2175457 -0.1038549 -0.3286058 0.1265210 2.5766172 -0.0477778 0.1713818 0.1292334 3.1208023 17 O -1.2121700 -0.2656010 0.3962142 -0.1281979 -1.5014030 0.5081551 0.3463909 0.6681996 -2.2803916 18 O -1.7329908 0.3416989 0.7012311 0.2920956 -1.0763014 -0.1899584 0.7122433 -0.2830768 -2.2752946 19 O -1.3911404 -0.1193108 0.0657366 -0.0782035 -1.7790771 0.0962183 -0.0166418 0.0630918 -1.3686065 20 O -1.3911404 0.1193108 -0.0657366 0.0782035 -1.7790771 0.0962183 0.0166418 0.0630918 -1.3686065 21 O -1.3911404 -0.1193108 -0.0657366 -0.0782035 -1.7790771 -0.0962183 0.0166418 -0.0630918 -1.3686065 22 O -1.3736469 0.1859639 -0.0095308 0.1712015 -1.7573409 0.1114184 -0.0446910 0.0499271 -1.3644932 23 O -2.5361917 0.5980375 -0.2819469 0.4102181 -1.4220123 0.0490604 -0.1938317 0.1364896 -1.0434759 24 O -1.2121700 0.2656010 -0.3962142 0.1281979 -1.5014030 0.5081551 -0.3463909 0.6681996 -2.2803916 25 O -1.7329908 -0.3416989 -0.7012311 -0.2920956 -1.0763014 -0.1899584 -0.7122433 -0.2830768 -2.2752946 26 O -1.3736469 -0.1859639 0.0095308 -0.1712015 -1.7573409 0.1114184 0.0446910 0.0499271 -1.3644932 27 O -2.5361917 0.5980375 0.2819469 0.4102181 -1.4220123 -0.0490604 0.1938317 -0.1364896 -1.0434759 28 O -1.7329908 -0.3416989 0.7012311 -0.2920956 -1.0763014 0.1899584 0.7122433 0.2830768 -2.2752946 29 O -1.2121700 -0.2656010 -0.3962142 -0.1281979 -1.5014030 -0.5081551 -0.3463909 -0.6681996 -2.2803916 30 O -2.5361917 -0.5980375 -0.2819469 -0.4102181 -1.4220123 -0.0490604 -0.1938317 -0.1364896 -1.0434759 31 O -1.7329908 0.3416989 -0.7012311 0.2920956 -1.0763014 0.1899584 -0.7122433 0.2830768 -2.2752946 32 O -1.3736469 -0.1859639 -0.0095308 -0.1712015 -1.7573409 -0.1114184 -0.0446910 -0.0499271 -1.3644932 33 O -2.5361917 -0.5980375 0.2819469 -0.4102181 -1.4220123 0.0490604 0.1938317 0.1364896 -1.0434759 34 O -1.3736469 0.1859639 0.0095308 0.1712015 -1.7573409 -0.1114184 0.0446910 -0.0499271 -1.3644932 35 O -1.3911404 0.1193108 0.0657366 0.0782035 -1.7790771 -0.0962183 -0.0166418 -0.0630918 -1.3686065 36 O -1.2121700 0.2656010 0.3962142 0.1281979 -1.5014030 -0.5081551 0.3463909 -0.6681996 -2.2803916 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) 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 ... [ 6 4 10 ] 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: 0.53, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 1.668 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 -0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 -0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 -0.000) 0.000 3.837 ( 0.000 0.000 -0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 -0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 -0.000) 0.000 5.395 ( 0.000 0.000 -0.000) 0.000 5.528 ( 0.000 0.000 -0.000) 0.000 5.584 ( 0.000 0.000 -0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 -0.000) 0.000 6.275 ( 0.000 0.000 -0.000) 0.000 6.283 ( 0.000 0.000 -0.000) 0.000 6.436 ( 0.000 0.000 -0.000) 0.000 6.462 ( 0.000 0.000 -0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 -0.000) 0.000 6.941 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 -0.000) 0.000 7.884 ( 0.000 0.000 -0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 -0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 -0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 -0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 -0.000) 0.000 10.909 ( 0.000 0.000 -0.000) 0.000 10.964 ( 0.000 0.000 -0.000) 0.000 11.046 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.465 ( 0.000 0.000 -0.000) 0.000 11.711 ( 0.000 0.000 -0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 -0.000) 0.000 13.079 ( 0.000 0.000 -0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.224 ( 0.000 0.000 0.000) 0.000 13.907 ( 0.000 0.000 0.000) 0.000 13.909 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 13.978 ( 0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 -0.000) 0.000 14.610 ( 0.000 0.000 0.000) 0.000 15.515 ( 0.000 0.000 0.000) 0.000 15.538 ( 0.000 0.000 -0.000) 0.000 15.669 ( 0.000 0.000 0.000) 0.000 15.710 ( 0.000 0.000 0.000) 0.000 17.409 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 -0.000) 0.000 20.383 ( 0.000 0.000 -0.000) 0.000 20.527 ( 0.000 0.000 0.000) 0.000 22.061 ( 0.000 0.000 0.000) 0.000 22.064 ( 0.000 0.000 0.000) 0.000 22.252 ( 0.000 0.000 0.000) 0.000 22.333 ( 0.000 0.000 0.000) 0.000 22.440 ( 0.000 0.000 0.000) 0.000 22.466 ( 0.000 0.000 0.000) 0.000 28.394 ( 0.000 0.000 -0.000) 0.000 28.489 ( 0.000 0.000 0.000) 0.000 28.497 ( 0.000 0.000 -0.000) 0.000 28.587 ( 0.000 0.000 0.000) 0.000 28.592 ( 0.000 0.000 0.000) 0.000 28.605 ( 0.000 0.000 0.000) 0.000 28.674 ( 0.000 0.000 0.000) 0.000 28.692 ( 0.000 0.000 0.000) 0.000 29.628 ( 0.000 0.000 0.000) 0.000 29.920 ( 0.000 0.000 -0.000) 0.000 30.065 ( 0.000 0.000 0.000) 0.000 30.257 ( 0.000 0.000 0.000) 0.000 31.014 ( 0.000 0.000 -0.000) 0.000 31.100 ( 0.000 0.000 0.000) 0.000 31.235 ( 0.000 0.000 0.000) 0.000 31.285 ( 0.000 0.000 -0.000) 0.000 31.557 ( 0.000 0.000 0.000) 0.000 31.648 ( 0.000 0.000 -0.000) 0.000 32.060 ( 0.000 0.000 0.000) 0.000 33.812 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 25.603 0.000 0.000) 25.603 0.819 ( 37.149 0.000 0.000) 37.149 1.347 ( 62.142 0.000 0.000) 62.142 1.871 ( -22.968 0.000 0.000) 22.968 1.955 ( 21.722 0.000 0.000) 21.722 2.055 ( 26.102 0.000 0.000) 26.102 2.697 ( -9.256 0.000 0.000) 9.256 3.170 ( -8.355 0.000 0.000) 8.355 3.209 ( 20.993 0.000 0.000) 20.993 3.350 ( -27.892 0.000 0.000) 27.892 3.494 ( 3.193 0.000 0.000) 3.193 3.677 ( -7.733 0.000 0.000) 7.733 3.715 ( 7.293 0.000 0.000) 7.293 3.841 ( 20.094 0.000 0.000) 20.094 4.031 ( 12.120 0.000 0.000) 12.120 4.146 ( 6.072 0.000 0.000) 6.072 4.432 ( -3.188 0.000 0.000) 3.188 4.531 ( 5.992 0.000 0.000) 5.992 4.773 ( -3.946 0.000 0.000) 3.946 4.791 ( -3.589 0.000 0.000) 3.589 4.884 ( 2.162 0.000 0.000) 2.162 4.968 ( 3.979 0.000 0.000) 3.979 5.102 ( -2.735 0.000 0.000) 2.735 5.102 ( -4.201 0.000 0.000) 4.201 5.120 ( -11.573 0.000 0.000) 11.573 5.463 ( 2.946 0.000 0.000) 2.946 5.529 ( 1.238 0.000 0.000) 1.238 5.662 ( 5.062 0.000 0.000) 5.062 5.846 ( 8.293 0.000 0.000) 8.293 5.952 ( 0.436 0.000 0.000) 0.436 6.132 ( -6.340 0.000 0.000) 6.340 6.144 ( -1.305 0.000 0.000) 1.305 6.195 ( -1.962 0.000 0.000) 1.962 6.222 ( -5.213 0.000 0.000) 5.213 6.258 ( -2.198 0.000 0.000) 2.198 6.413 ( -9.615 0.000 0.000) 9.615 6.504 ( -8.400 0.000 0.000) 8.400 6.615 ( 3.276 0.000 0.000) 3.276 6.810 ( 1.255 0.000 0.000) 1.255 6.973 ( 1.629 0.000 0.000) 1.629 7.211 ( -5.866 0.000 0.000) 5.866 7.233 ( -23.638 0.000 0.000) 23.638 7.375 ( -7.758 0.000 0.000) 7.758 7.430 ( -19.004 0.000 0.000) 19.004 7.610 ( 1.875 0.000 0.000) 1.875 7.943 ( 0.658 0.000 0.000) 0.658 8.041 ( 4.331 0.000 0.000) 4.331 8.182 ( -2.024 0.000 0.000) 2.024 8.288 ( 6.317 0.000 0.000) 6.317 8.629 ( -2.913 0.000 0.000) 2.913 9.306 ( -6.674 0.000 0.000) 6.674 9.377 ( -13.064 0.000 0.000) 13.064 9.549 ( 11.064 0.000 0.000) 11.064 9.595 ( 10.302 0.000 0.000) 10.302 9.963 ( 10.563 0.000 0.000) 10.563 9.990 ( 9.359 0.000 0.000) 9.359 10.611 ( -3.939 0.000 0.000) 3.939 10.817 ( -7.292 0.000 0.000) 7.292 11.004 ( -5.126 0.000 0.000) 5.126 11.013 ( -3.780 0.000 0.000) 3.780 11.400 ( 8.029 0.000 0.000) 8.029 11.528 ( 6.387 0.000 0.000) 6.387 11.795 ( 7.540 0.000 0.000) 7.540 11.918 ( 7.898 0.000 0.000) 7.898 12.808 ( -14.482 0.000 0.000) 14.482 12.950 ( -14.429 0.000 0.000) 14.429 13.461 ( 8.397 0.000 0.000) 8.397 13.672 ( 12.730 0.000 0.000) 12.730 13.818 ( 0.656 0.000 0.000) 0.656 13.869 ( -2.802 0.000 0.000) 2.802 14.265 ( 17.201 0.000 0.000) 17.201 14.424 ( 4.102 0.000 0.000) 4.102 14.630 ( 1.020 0.000 0.000) 1.020 15.124 ( -10.072 0.000 0.000) 10.072 15.457 ( -5.254 0.000 0.000) 5.254 15.487 ( -5.996 0.000 0.000) 5.996 15.783 ( 7.408 0.000 0.000) 7.408 15.889 ( 14.884 0.000 0.000) 14.884 17.268 ( -12.959 0.000 0.000) 12.959 17.351 ( -11.996 0.000 0.000) 11.996 20.527 ( 13.306 0.000 0.000) 13.306 20.667 ( 12.604 0.000 0.000) 12.604 22.035 ( -3.187 0.000 0.000) 3.187 22.139 ( -8.883 0.000 0.000) 8.883 22.225 ( -1.409 0.000 0.000) 1.409 22.255 ( -6.239 0.000 0.000) 6.239 22.445 ( 0.208 0.000 0.000) 0.208 22.496 ( -0.884 0.000 0.000) 0.884 28.458 ( 4.902 0.000 0.000) 4.902 28.487 ( -0.113 0.000 0.000) 0.113 28.501 ( 0.917 0.000 0.000) 0.917 28.578 ( -0.419 0.000 0.000) 0.419 28.602 ( 1.557 0.000 0.000) 1.557 28.720 ( 8.249 0.000 0.000) 8.249 28.902 ( 20.314 0.000 0.000) 20.314 29.491 ( -7.673 0.000 0.000) 7.673 29.814 ( -9.553 0.000 0.000) 9.553 30.014 ( -4.375 0.000 0.000) 4.375 30.278 ( 1.945 0.000 0.000) 1.945 30.938 ( -6.082 0.000 0.000) 6.082 31.071 ( 0.499 0.000 0.000) 0.499 31.209 ( -1.432 0.000 0.000) 1.432 31.234 ( 7.783 0.000 0.000) 7.783 31.606 ( -3.499 0.000 0.000) 3.499 31.720 ( 13.651 0.000 0.000) 13.651 32.112 ( 5.129 0.000 0.000) 5.129 32.253 ( -1.431 0.000 0.000) 1.431 33.682 ( -15.496 0.000 0.000) 15.496 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 11.484 0.000 0.000) 11.484 1.267 ( -15.293 0.000 0.000) 15.293 1.567 ( 23.502 0.000 0.000) 23.502 2.244 ( 0.942 0.000 0.000) 0.942 2.425 ( 13.774 0.000 0.000) 13.774 2.494 ( 6.160 0.000 0.000) 6.160 2.635 ( 23.633 0.000 0.000) 23.633 2.821 ( -10.612 0.000 0.000) 10.612 3.268 ( 19.716 0.000 0.000) 19.716 3.476 ( 0.752 0.000 0.000) 0.752 3.613 ( 7.688 0.000 0.000) 7.688 3.792 ( 23.094 0.000 0.000) 23.094 3.842 ( 1.346 0.000 0.000) 1.346 4.064 ( 5.263 0.000 0.000) 5.263 4.318 ( -4.352 0.000 0.000) 4.352 4.358 ( 7.861 0.000 0.000) 7.861 4.363 ( 7.682 0.000 0.000) 7.682 4.630 ( -10.969 0.000 0.000) 10.969 4.663 ( 5.577 0.000 0.000) 5.577 4.734 ( 8.118 0.000 0.000) 8.118 4.811 ( -7.111 0.000 0.000) 7.111 4.892 ( -7.000 0.000 0.000) 7.000 4.976 ( 7.262 0.000 0.000) 7.262 5.081 ( 2.681 0.000 0.000) 2.681 5.127 ( -0.102 0.000 0.000) 0.102 5.456 ( -5.524 0.000 0.000) 5.524 5.541 ( -1.054 0.000 0.000) 1.054 5.733 ( -2.042 0.000 0.000) 2.042 5.847 ( -15.144 0.000 0.000) 15.144 5.937 ( -18.900 0.000 0.000) 18.900 6.033 ( -0.903 0.000 0.000) 0.903 6.033 ( 1.899 0.000 0.000) 1.899 6.135 ( -1.971 0.000 0.000) 1.971 6.177 ( -6.634 0.000 0.000) 6.634 6.190 ( 0.626 0.000 0.000) 0.626 6.312 ( 4.716 0.000 0.000) 4.716 6.338 ( -3.789 0.000 0.000) 3.789 6.483 ( -21.757 0.000 0.000) 21.757 6.634 ( -3.753 0.000 0.000) 3.753 6.761 ( -15.896 0.000 0.000) 15.896 6.989 ( 2.132 0.000 0.000) 2.132 7.115 ( -1.049 0.000 0.000) 1.049 7.291 ( 1.158 0.000 0.000) 1.158 7.374 ( 0.690 0.000 0.000) 0.690 7.693 ( 5.551 0.000 0.000) 5.551 7.927 ( -3.031 0.000 0.000) 3.031 8.081 ( 0.316 0.000 0.000) 0.316 8.116 ( -3.200 0.000 0.000) 3.200 8.354 ( 2.998 0.000 0.000) 2.998 8.551 ( -4.642 0.000 0.000) 4.642 9.136 ( -7.640 0.000 0.000) 7.640 9.137 ( -9.170 0.000 0.000) 9.170 9.851 ( 14.973 0.000 0.000) 14.973 9.875 ( 13.939 0.000 0.000) 13.939 10.137 ( 7.476 0.000 0.000) 7.476 10.145 ( 5.791 0.000 0.000) 5.791 10.518 ( -5.797 0.000 0.000) 5.797 10.635 ( -10.543 0.000 0.000) 10.543 10.862 ( -6.688 0.000 0.000) 6.688 10.896 ( -6.354 0.000 0.000) 6.354 11.618 ( 12.480 0.000 0.000) 12.480 11.716 ( 11.023 0.000 0.000) 11.023 11.959 ( 6.162 0.000 0.000) 6.162 12.044 ( 0.517 0.000 0.000) 0.517 12.588 ( -5.402 0.000 0.000) 5.402 12.681 ( -10.565 0.000 0.000) 10.565 13.491 ( -0.774 0.000 0.000) 0.774 13.697 ( -7.328 0.000 0.000) 7.328 13.980 ( 10.476 0.000 0.000) 10.476 13.987 ( 10.871 0.000 0.000) 10.871 14.508 ( 2.824 0.000 0.000) 2.824 14.585 ( 4.723 0.000 0.000) 4.723 14.642 ( 8.075 0.000 0.000) 8.075 14.947 ( -5.721 0.000 0.000) 5.721 15.322 ( -7.148 0.000 0.000) 7.148 15.341 ( -7.895 0.000 0.000) 7.895 16.028 ( 16.264 0.000 0.000) 16.264 16.216 ( 16.296 0.000 0.000) 16.296 16.928 ( -18.854 0.000 0.000) 18.854 17.038 ( -17.462 0.000 0.000) 17.462 20.875 ( 19.141 0.000 0.000) 19.141 20.987 ( 16.783 0.000 0.000) 16.783 21.881 ( -11.861 0.000 0.000) 11.861 21.882 ( -15.074 0.000 0.000) 15.074 22.164 ( -1.659 0.000 0.000) 1.659 22.193 ( -1.642 0.000 0.000) 1.642 22.448 ( 0.194 0.000 0.000) 0.194 22.474 ( -1.064 0.000 0.000) 1.064 28.486 ( 0.069 0.000 0.000) 0.069 28.489 ( 0.041 0.000 0.000) 0.041 28.552 ( 1.273 0.000 0.000) 1.273 28.571 ( -0.321 0.000 0.000) 0.321 28.724 ( 10.763 0.000 0.000) 10.763 28.940 ( 12.421 0.000 0.000) 12.421 29.282 ( -11.720 0.000 0.000) 11.720 29.374 ( 22.480 0.000 0.000) 22.480 29.566 ( -14.046 0.000 0.000) 14.046 29.906 ( -6.250 0.000 0.000) 6.250 30.352 ( 6.038 0.000 0.000) 6.038 30.769 ( -10.333 0.000 0.000) 10.333 31.105 ( 2.426 0.000 0.000) 2.426 31.186 ( -1.067 0.000 0.000) 1.067 31.377 ( 5.709 0.000 0.000) 5.709 31.531 ( -3.448 0.000 0.000) 3.448 31.997 ( 10.356 0.000 0.000) 10.356 32.209 ( -2.847 0.000 0.000) 2.847 32.312 ( 16.427 0.000 0.000) 16.427 33.266 ( -23.914 0.000 0.000) 23.914 ======================= Grid point 3 (4/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.731 0.000 0.000) 1.731 1.054 ( 1.731 0.000 0.000) 1.731 2.079 ( -19.996 0.000 0.000) 19.996 2.079 ( 19.996 0.000 0.000) 19.996 2.356 ( -0.645 0.000 0.000) 0.645 2.356 ( 0.645 0.000 0.000) 0.645 2.929 ( -5.929 0.000 0.000) 5.929 2.929 ( 5.929 0.000 0.000) 5.929 3.718 ( -5.583 0.000 0.000) 5.583 3.718 ( 5.583 0.000 0.000) 5.583 3.756 ( -4.704 0.000 0.000) 4.704 3.756 ( 4.704 0.000 0.000) 4.704 4.024 ( -16.083 0.000 0.000) 16.083 4.024 ( 16.083 0.000 0.000) 16.083 4.189 ( -11.612 0.000 0.000) 11.612 4.189 ( 11.612 0.000 0.000) 11.612 4.470 ( -9.366 0.000 0.000) 9.366 4.470 ( 9.366 0.000 0.000) 9.366 4.749 ( -3.803 0.000 0.000) 3.803 4.749 ( 3.803 0.000 0.000) 3.803 5.073 ( -0.782 0.000 0.000) 0.782 5.073 ( 0.782 0.000 0.000) 0.782 5.103 ( -3.677 0.000 0.000) 3.677 5.103 ( 3.677 0.000 0.000) 3.677 5.317 ( -4.075 0.000 0.000) 4.075 5.317 ( 4.075 0.000 0.000) 4.075 5.363 ( -16.443 0.000 0.000) 16.443 5.363 ( 16.443 0.000 0.000) 16.443 5.601 ( -2.735 0.000 0.000) 2.735 5.601 ( 2.735 0.000 0.000) 2.735 6.061 ( -3.562 0.000 0.000) 3.562 6.061 ( 3.562 0.000 0.000) 3.562 6.105 ( -1.444 0.000 0.000) 1.444 6.105 ( 1.444 0.000 0.000) 1.444 6.200 ( -1.230 0.000 0.000) 1.230 6.200 ( 1.230 0.000 0.000) 1.230 6.455 ( -11.605 0.000 0.000) 11.605 6.455 ( 11.605 0.000 0.000) 11.605 6.547 ( -8.368 0.000 0.000) 8.368 6.547 ( 8.368 0.000 0.000) 8.368 7.059 ( -3.817 0.000 0.000) 3.817 7.059 ( 3.817 0.000 0.000) 3.817 7.352 ( -2.990 0.000 0.000) 2.990 7.352 ( 2.990 0.000 0.000) 2.990 7.822 ( -6.505 0.000 0.000) 6.505 7.822 ( 6.505 0.000 0.000) 6.505 8.080 ( -0.320 0.000 0.000) 0.320 8.080 ( 0.320 0.000 0.000) 0.320 8.445 ( -5.374 0.000 0.000) 5.374 8.445 ( 5.374 0.000 0.000) 5.374 9.044 ( -0.414 0.000 0.000) 0.414 9.044 ( 0.414 0.000 0.000) 0.414 10.031 ( -0.272 0.000 0.000) 0.272 10.031 ( 0.272 0.000 0.000) 0.272 10.266 ( -2.824 0.000 0.000) 2.824 10.266 ( 2.824 0.000 0.000) 2.824 10.420 ( -5.312 0.000 0.000) 5.312 10.420 ( 5.312 0.000 0.000) 5.312 10.805 ( -1.503 0.000 0.000) 1.503 10.805 ( 1.503 0.000 0.000) 1.503 11.856 ( -6.427 0.000 0.000) 6.427 11.856 ( 6.427 0.000 0.000) 6.427 11.971 ( -1.973 0.000 0.000) 1.973 11.971 ( 1.973 0.000 0.000) 1.973 12.564 ( -1.432 0.000 0.000) 1.432 12.564 ( 1.432 0.000 0.000) 1.432 13.543 ( -6.161 0.000 0.000) 6.161 13.543 ( 6.161 0.000 0.000) 6.161 14.115 ( -0.502 0.000 0.000) 0.502 14.115 ( 0.502 0.000 0.000) 0.502 14.537 ( -1.994 0.000 0.000) 1.994 14.537 ( 1.994 0.000 0.000) 1.994 14.863 ( -6.346 0.000 0.000) 6.346 14.863 ( 6.346 0.000 0.000) 6.346 15.229 ( -0.415 0.000 0.000) 0.415 15.229 ( 0.415 0.000 0.000) 0.415 16.375 ( -11.808 0.000 0.000) 11.808 16.375 ( 11.808 0.000 0.000) 11.808 16.710 ( -9.278 0.000 0.000) 9.278 16.710 ( 9.278 0.000 0.000) 9.278 21.187 ( -4.656 0.000 0.000) 4.656 21.187 ( 4.656 0.000 0.000) 4.656 21.672 ( -1.873 0.000 0.000) 1.873 21.672 ( 1.873 0.000 0.000) 1.873 22.164 ( -1.060 0.000 0.000) 1.060 22.164 ( 1.060 0.000 0.000) 1.060 22.457 ( -0.643 0.000 0.000) 0.643 22.457 ( 0.643 0.000 0.000) 0.643 28.488 ( -0.084 0.000 0.000) 0.084 28.488 ( 0.084 0.000 0.000) 0.084 28.564 ( -0.312 0.000 0.000) 0.312 28.564 ( 0.312 0.000 0.000) 0.312 28.976 ( -12.266 0.000 0.000) 12.266 28.976 ( 12.266 0.000 0.000) 12.266 29.269 ( -13.792 0.000 0.000) 13.792 29.269 ( 13.792 0.000 0.000) 13.792 29.731 ( -12.089 0.000 0.000) 12.089 29.731 ( 12.089 0.000 0.000) 12.089 30.537 ( -11.395 0.000 0.000) 11.395 30.537 ( 11.395 0.000 0.000) 11.395 31.154 ( -2.143 0.000 0.000) 2.143 31.154 ( 2.143 0.000 0.000) 2.143 31.465 ( -3.307 0.000 0.000) 3.307 31.465 ( 3.307 0.000 0.000) 3.307 32.135 ( -4.538 0.000 0.000) 4.538 32.135 ( 4.538 0.000 0.000) 4.538 32.756 ( -24.831 0.000 0.000) 24.831 32.756 ( 24.831 0.000 0.000) 24.831 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 27.395 0.000) 27.395 0.677 ( 0.000 31.050 0.000) 31.050 0.961 ( 0.000 44.649 0.000) 44.649 1.519 ( 0.000 -13.583 0.000) 13.583 1.629 ( 0.000 -11.566 0.000) 11.566 2.290 ( 0.000 8.904 0.000) 8.904 2.632 ( 0.000 -16.357 0.000) 16.357 2.970 ( 0.000 -0.500 0.000) 0.500 3.258 ( 0.000 -6.783 0.000) 6.783 3.358 ( 0.000 5.407 0.000) 5.407 3.448 ( 0.000 -7.274 0.000) 7.274 3.592 ( 0.000 -0.412 0.000) 0.412 3.669 ( 0.000 -9.398 0.000) 9.398 3.761 ( 0.000 -8.354 0.000) 8.354 4.024 ( 0.000 7.950 0.000) 7.950 4.073 ( 0.000 6.769 0.000) 6.769 4.154 ( 0.000 -11.948 0.000) 11.948 4.536 ( 0.000 -6.344 0.000) 6.344 4.785 ( 0.000 -2.690 0.000) 2.690 4.788 ( 0.000 1.957 0.000) 1.957 4.951 ( 0.000 6.123 0.000) 6.123 5.038 ( 0.000 -3.846 0.000) 3.846 5.135 ( 0.000 10.789 0.000) 10.789 5.311 ( 0.000 7.564 0.000) 7.564 5.354 ( 0.000 1.236 0.000) 1.236 5.472 ( 0.000 3.584 0.000) 3.584 5.533 ( 0.000 -3.179 0.000) 3.179 5.587 ( 0.000 -2.409 0.000) 2.409 5.676 ( 0.000 10.457 0.000) 10.457 6.007 ( 0.000 2.904 0.000) 2.904 6.108 ( 0.000 -4.621 0.000) 4.621 6.151 ( 0.000 -7.944 0.000) 7.944 6.217 ( 0.000 -2.305 0.000) 2.305 6.226 ( 0.000 -4.776 0.000) 4.776 6.333 ( 0.000 0.601 0.000) 0.601 6.368 ( 0.000 1.193 0.000) 1.193 6.709 ( 0.000 6.785 0.000) 6.785 6.803 ( 0.000 2.483 0.000) 2.483 6.867 ( 0.000 1.923 0.000) 1.923 6.912 ( 0.000 -2.605 0.000) 2.605 7.250 ( 0.000 4.192 0.000) 4.192 7.612 ( 0.000 5.794 0.000) 5.794 7.644 ( 0.000 -11.427 0.000) 11.427 7.861 ( 0.000 -1.375 0.000) 1.375 7.888 ( 0.000 0.454 0.000) 0.454 7.934 ( 0.000 -1.704 0.000) 1.704 8.001 ( 0.000 3.443 0.000) 3.443 8.088 ( 0.000 1.564 0.000) 1.564 8.359 ( 0.000 0.502 0.000) 0.502 8.589 ( 0.000 -6.172 0.000) 6.172 9.341 ( 0.000 3.349 0.000) 3.349 9.470 ( 0.000 -2.330 0.000) 2.330 9.552 ( 0.000 2.140 0.000) 2.140 9.587 ( 0.000 1.337 0.000) 1.337 9.719 ( 0.000 -0.845 0.000) 0.845 9.742 ( 0.000 -1.642 0.000) 1.642 10.909 ( 0.000 -0.003 0.000) 0.003 10.943 ( 0.000 -1.548 0.000) 1.548 10.983 ( 0.000 1.692 0.000) 1.692 11.046 ( 0.000 -0.351 0.000) 0.351 11.339 ( 0.000 1.948 0.000) 1.948 11.444 ( 0.000 -1.976 0.000) 1.976 11.727 ( 0.000 1.462 0.000) 1.462 11.811 ( 0.000 -1.753 0.000) 1.753 13.039 ( 0.000 -0.273 0.000) 0.273 13.131 ( 0.000 -3.051 0.000) 3.051 13.154 ( 0.000 3.596 0.000) 3.596 13.239 ( 0.000 -0.290 0.000) 0.290 13.909 ( 0.000 0.170 0.000) 0.170 13.910 ( 0.000 0.113 0.000) 0.113 13.942 ( 0.000 0.447 0.000) 0.447 13.971 ( 0.000 -0.606 0.000) 0.606 14.500 ( 0.000 1.886 0.000) 1.886 14.593 ( 0.000 -1.630 0.000) 1.630 15.545 ( 0.000 0.622 0.000) 0.622 15.584 ( 0.000 -0.941 0.000) 0.941 15.678 ( 0.000 0.760 0.000) 0.760 15.706 ( 0.000 -0.385 0.000) 0.385 17.419 ( 0.000 0.931 0.000) 0.931 17.470 ( 0.000 -1.014 0.000) 1.014 20.540 ( 0.000 1.176 0.000) 1.176 20.604 ( 0.000 -1.221 0.000) 1.221 22.067 ( 0.000 0.237 0.000) 0.237 22.080 ( 0.000 -0.267 0.000) 0.267 22.262 ( 0.000 0.952 0.000) 0.952 22.318 ( 0.000 -1.267 0.000) 1.267 22.486 ( 0.000 1.650 0.000) 1.650 22.561 ( 0.000 -1.284 0.000) 1.284 28.490 ( 0.000 0.044 0.000) 0.044 28.495 ( 0.000 -0.178 0.000) 0.178 28.588 ( 0.000 0.039 0.000) 0.039 28.591 ( 0.000 -0.081 0.000) 0.081 28.614 ( 0.000 0.755 0.000) 0.755 28.643 ( 0.000 -0.391 0.000) 0.391 28.697 ( 0.000 0.532 0.000) 0.532 28.749 ( 0.000 -1.481 0.000) 1.481 29.670 ( 0.000 3.934 0.000) 3.934 29.913 ( 0.000 -5.972 0.000) 5.972 30.117 ( 0.000 3.412 0.000) 3.412 30.239 ( 0.000 -1.716 0.000) 1.716 31.093 ( 0.000 4.042 0.000) 4.042 31.131 ( 0.000 5.772 0.000) 5.772 31.195 ( 0.000 -2.561 0.000) 2.561 31.351 ( 0.000 4.788 0.000) 4.788 31.562 ( 0.000 -7.633 0.000) 7.633 31.604 ( 0.000 -4.272 0.000) 4.272 33.864 ( 0.000 4.505 0.000) 4.505 34.075 ( 0.000 -3.556 0.000) 3.556 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 10.800 24.103 0.000) 26.412 1.074 ( 29.088 20.574 0.000) 35.629 1.551 ( 49.814 14.797 0.000) 51.965 1.763 ( 7.841 -10.913 0.000) 13.437 1.937 ( 25.879 -11.547 0.000) 28.338 2.047 ( -8.147 7.495 0.000) 11.070 2.562 ( -4.656 -7.346 0.000) 8.697 3.090 ( -4.388 -9.693 0.000) 10.640 3.259 ( 1.896 4.479 0.000) 4.863 3.352 ( -7.446 -1.919 0.000) 7.689 3.392 ( 7.310 -3.660 0.000) 8.175 3.612 ( -3.043 -2.597 0.000) 4.000 3.684 ( 0.049 -5.289 0.000) 5.289 3.804 ( 20.240 -4.280 0.000) 20.687 4.136 ( 5.922 3.186 0.000) 6.724 4.145 ( 8.222 1.669 0.000) 8.390 4.218 ( 5.281 -4.309 0.000) 6.816 4.547 ( 2.512 -3.184 0.000) 4.056 4.727 ( -6.104 -2.535 0.000) 6.609 4.803 ( 2.049 -4.325 0.000) 4.786 4.969 ( -3.362 1.528 0.000) 3.693 5.038 ( -4.173 -1.595 0.000) 4.467 5.142 ( 1.150 14.575 0.000) 14.620 5.174 ( -16.558 7.660 0.000) 18.244 5.307 ( 6.275 12.055 0.000) 13.590 5.424 ( -2.351 -3.237 0.000) 4.001 5.543 ( -0.222 3.858 0.000) 3.864 5.667 ( 2.726 0.569 0.000) 2.785 5.739 ( 5.357 -7.802 0.000) 9.464 5.940 ( 1.335 -1.474 0.000) 1.988 6.031 ( -2.910 -0.749 0.000) 3.005 6.114 ( -3.463 -3.626 0.000) 5.014 6.163 ( -4.031 -2.782 0.000) 4.898 6.267 ( -2.841 -3.303 0.000) 4.357 6.297 ( -4.152 -1.861 0.000) 4.551 6.365 ( -0.829 -3.683 0.000) 3.775 6.529 ( -11.555 7.766 0.000) 13.922 6.753 ( -9.771 -0.287 0.000) 9.775 6.883 ( 2.318 8.271 0.000) 8.590 7.019 ( 4.621 2.911 0.000) 5.461 7.248 ( -7.103 4.116 0.000) 8.209 7.289 ( -25.960 3.992 0.000) 26.265 7.404 ( -21.100 -1.051 0.000) 21.127 7.502 ( -10.565 1.902 0.000) 10.735 7.655 ( 1.802 4.854 0.000) 5.177 7.907 ( 0.271 -3.864 0.000) 3.874 8.063 ( -0.209 4.117 0.000) 4.122 8.253 ( -4.441 3.424 0.000) 5.607 8.270 ( 4.767 0.334 0.000) 4.779 8.561 ( -2.732 -6.012 0.000) 6.604 9.317 ( -6.539 1.567 0.000) 6.724 9.408 ( -15.446 0.095 0.000) 15.447 9.534 ( 12.797 0.733 0.000) 12.818 9.597 ( 8.869 -0.270 0.000) 8.873 9.943 ( 14.576 -1.295 0.000) 14.634 9.963 ( 10.931 -1.288 0.000) 11.006 10.707 ( -8.525 5.596 0.000) 10.198 10.813 ( -7.449 -0.548 0.000) 7.469 11.012 ( -4.117 0.146 0.000) 4.120 11.015 ( -4.513 0.453 0.000) 4.536 11.426 ( 8.352 2.451 0.000) 8.704 11.526 ( 6.340 -0.566 0.000) 6.365 11.775 ( 7.539 -0.381 0.000) 7.548 11.891 ( 7.480 -2.746 0.000) 7.969 12.826 ( -13.823 1.461 0.000) 13.900 12.916 ( -12.654 -2.716 0.000) 12.942 13.456 ( 8.701 -0.107 0.000) 8.702 13.591 ( 14.671 -6.800 0.000) 16.170 13.820 ( 0.981 0.142 0.000) 0.992 13.844 ( -0.712 -1.466 0.000) 1.630 14.265 ( 17.966 0.256 0.000) 17.968 14.385 ( 13.239 -4.803 0.000) 14.083 14.618 ( 1.621 -1.024 0.000) 1.918 14.699 ( 16.978 -15.889 0.000) 23.253 15.482 ( -5.808 0.625 0.000) 5.842 15.496 ( -7.132 0.301 0.000) 7.138 15.776 ( 8.408 -0.899 0.000) 8.456 15.783 ( 11.068 -2.400 0.000) 11.325 17.277 ( -13.003 1.043 0.000) 13.045 17.341 ( -12.123 -1.184 0.000) 12.180 20.630 ( 7.720 4.425 0.000) 8.898 20.671 ( 11.850 0.335 0.000) 11.855 22.029 ( -3.722 -0.416 0.000) 3.745 22.064 ( -5.036 -3.194 0.000) 5.963 22.215 ( -3.209 1.117 0.000) 3.398 22.279 ( -3.845 -0.684 0.000) 3.906 22.466 ( -1.332 1.632 0.000) 2.107 22.517 ( -2.416 0.371 0.000) 2.444 28.480 ( 0.779 0.808 0.000) 1.122 28.492 ( -0.144 0.178 0.000) 0.229 28.515 ( 1.980 1.918 0.000) 2.757 28.574 ( -0.431 -0.421 0.000) 0.603 28.608 ( 2.280 0.650 0.000) 2.371 28.682 ( 6.916 -2.627 0.000) 7.398 28.985 ( 23.457 7.223 0.000) 24.544 29.506 ( 1.058 -2.081 0.000) 2.335 29.689 ( 1.687 -11.743 0.000) 11.863 29.932 ( 9.449 -18.391 0.000) 20.676 30.190 ( 15.480 -12.712 0.000) 20.031 30.264 ( 3.777 -4.083 0.000) 5.562 31.089 ( -1.402 7.226 0.000) 7.360 31.138 ( 2.429 1.320 0.000) 2.764 31.239 ( 3.530 -1.143 0.000) 3.710 31.444 ( 4.725 -1.953 0.000) 5.113 31.577 ( 6.325 -3.652 0.000) 7.304 31.716 ( 9.590 -4.928 0.000) 10.782 33.458 ( -36.022 25.678 0.000) 44.238 33.709 ( -18.479 1.761 0.000) 18.563 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 6.326 10.402 0.000) 12.174 1.407 ( -13.101 7.734 0.000) 15.213 1.710 ( 22.771 11.604 0.000) 25.557 2.185 ( 1.394 -3.195 0.000) 3.486 2.305 ( 3.514 -11.626 0.000) 12.145 2.479 ( 11.922 -1.664 0.000) 12.038 2.601 ( 23.918 0.132 0.000) 23.918 2.761 ( -10.938 -7.473 0.000) 13.248 3.283 ( 15.649 1.799 0.000) 15.752 3.471 ( 2.083 -2.584 0.000) 3.319 3.616 ( 10.846 1.705 0.000) 10.979 3.752 ( 20.050 -3.647 0.000) 20.379 3.787 ( 5.832 -0.321 0.000) 5.841 4.097 ( 5.536 -4.330 0.000) 7.028 4.234 ( -2.079 -0.252 0.000) 2.094 4.337 ( 11.367 -1.320 0.000) 11.443 4.427 ( 7.989 5.121 0.000) 9.490 4.610 ( 2.113 1.135 0.000) 2.398 4.651 ( 6.738 -4.223 0.000) 7.952 4.766 ( -5.693 -3.240 0.000) 6.550 4.812 ( -4.988 0.965 0.000) 5.080 4.949 ( -5.663 1.161 0.000) 5.780 4.973 ( 1.913 5.779 0.000) 6.087 5.122 ( -2.384 8.570 0.000) 8.895 5.287 ( -6.210 3.986 0.000) 7.379 5.371 ( -1.139 -0.254 0.000) 1.167 5.581 ( 0.433 1.751 0.000) 1.804 5.720 ( -3.050 -1.512 0.000) 3.404 5.811 ( -7.501 -7.160 0.000) 10.370 5.890 ( -5.347 -1.498 0.000) 5.553 5.930 ( -16.166 -0.898 0.000) 16.190 6.059 ( 2.787 -2.081 0.000) 3.478 6.086 ( 2.900 -5.396 0.000) 6.126 6.158 ( -3.329 -0.105 0.000) 3.331 6.254 ( -5.439 3.565 0.000) 6.503 6.304 ( -6.109 -0.993 0.000) 6.189 6.375 ( 3.011 3.041 0.000) 4.280 6.468 ( -17.988 -2.641 0.000) 18.181 6.627 ( -13.955 2.252 0.000) 14.135 6.785 ( -15.439 0.142 0.000) 15.440 7.091 ( 2.560 7.914 0.000) 8.318 7.193 ( 1.019 4.955 0.000) 5.059 7.286 ( -0.013 1.141 0.000) 1.141 7.410 ( -2.173 1.425 0.000) 2.599 7.730 ( 4.944 3.652 0.000) 6.146 7.901 ( -1.432 -2.507 0.000) 2.888 8.069 ( 0.844 -0.352 0.000) 0.914 8.148 ( -4.788 1.756 0.000) 5.100 8.319 ( 2.523 -2.176 0.000) 3.332 8.489 ( -4.161 -5.386 0.000) 6.806 9.122 ( -9.817 -0.207 0.000) 9.819 9.144 ( -9.240 -0.181 0.000) 9.242 9.854 ( 15.404 0.409 0.000) 15.410 9.875 ( 14.687 -0.111 0.000) 14.688 10.144 ( 7.464 0.576 0.000) 7.487 10.149 ( 6.649 0.373 0.000) 6.659 10.556 ( -7.761 2.847 0.000) 8.267 10.631 ( -10.474 -0.511 0.000) 10.486 10.878 ( -6.431 1.163 0.000) 6.536 10.897 ( -6.156 0.038 0.000) 6.156 11.642 ( 12.090 2.037 0.000) 12.260 11.710 ( 10.962 -0.549 0.000) 10.976 11.949 ( 6.414 -0.283 0.000) 6.420 12.024 ( 1.869 -1.934 0.000) 2.690 12.609 ( -5.943 1.738 0.000) 6.192 12.672 ( -9.474 -0.829 0.000) 9.510 13.482 ( -1.862 -0.281 0.000) 1.883 13.628 ( -6.185 -5.841 0.000) 8.507 13.983 ( 10.485 0.231 0.000) 10.487 13.988 ( 10.764 0.036 0.000) 10.764 14.521 ( 2.699 1.167 0.000) 2.941 14.576 ( 3.489 -0.869 0.000) 3.596 14.659 ( 9.510 1.806 0.000) 9.680 14.857 ( 2.103 -6.958 0.000) 7.269 15.329 ( -7.896 0.470 0.000) 7.910 15.340 ( -8.063 -0.086 0.000) 8.063 16.028 ( 16.846 0.211 0.000) 16.848 16.131 ( 19.273 -5.662 0.000) 20.087 16.935 ( -19.131 0.968 0.000) 19.156 17.018 ( -18.300 -1.866 0.000) 18.395 20.909 ( 17.262 2.504 0.000) 17.443 20.979 ( 16.495 -0.731 0.000) 16.511 21.858 ( -13.499 -1.309 0.000) 13.562 21.869 ( -11.905 -1.111 0.000) 11.957 22.171 ( -0.904 1.006 0.000) 1.352 22.208 ( -2.369 0.423 0.000) 2.407 22.450 ( -0.234 0.438 0.000) 0.497 22.478 ( -1.513 -0.066 0.000) 1.515 28.487 ( 0.122 0.125 0.000) 0.175 28.491 ( -0.045 0.076 0.000) 0.088 28.554 ( 0.809 0.183 0.000) 0.829 28.568 ( -0.271 -0.272 0.000) 0.384 28.745 ( 10.767 1.942 0.000) 10.941 28.884 ( 11.921 -4.141 0.000) 12.620 29.302 ( -9.716 2.404 0.000) 10.009 29.492 ( -6.389 -2.837 0.000) 6.990 29.521 ( 12.982 9.427 0.000) 16.044 29.950 ( -3.516 1.972 0.000) 4.032 30.324 ( 5.886 -2.517 0.000) 6.401 30.558 ( 5.414 -20.627 0.000) 21.326 31.086 ( 2.099 2.572 0.000) 3.320 31.179 ( 0.519 0.960 0.000) 1.091 31.328 ( 4.482 -2.993 0.000) 5.390 31.442 ( -1.935 -6.437 0.000) 6.722 31.873 ( 16.445 -4.966 0.000) 17.178 31.959 ( 13.462 -3.854 0.000) 14.002 32.882 ( -18.316 22.522 0.000) 29.029 33.260 ( -24.069 -1.142 0.000) 24.096 ======================= Grid point 10 (8/72) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -4.631 10.192 0.000) 11.195 1.176 ( 4.631 10.192 0.000) 11.195 2.122 ( -9.247 -1.783 0.000) 9.418 2.122 ( 9.247 -1.783 0.000) 9.418 2.302 ( -13.898 1.754 0.000) 14.008 2.302 ( 13.898 1.754 0.000) 14.008 2.807 ( -3.722 -11.093 0.000) 11.701 2.807 ( 3.722 -11.093 0.000) 11.701 3.708 ( -6.055 -2.096 0.000) 6.408 3.708 ( 6.055 -2.096 0.000) 6.408 3.766 ( -5.005 3.580 0.000) 6.153 3.766 ( 5.005 3.580 0.000) 6.153 3.998 ( -8.518 -4.567 0.000) 9.665 3.998 ( 8.518 -4.567 0.000) 9.665 4.199 ( -2.693 2.017 0.000) 3.364 4.199 ( 2.693 2.017 0.000) 3.364 4.548 ( -4.813 7.222 0.000) 8.679 4.548 ( 4.813 7.222 0.000) 8.679 4.794 ( -3.651 2.518 0.000) 4.435 4.794 ( 3.651 2.518 0.000) 4.435 4.976 ( -5.242 -4.081 0.000) 6.643 4.976 ( 5.242 -4.081 0.000) 6.643 5.139 ( -11.976 -1.169 0.000) 12.032 5.139 ( 11.976 -1.169 0.000) 12.032 5.320 ( -18.632 0.043 0.000) 18.632 5.320 ( 18.632 0.043 0.000) 18.632 5.371 ( -5.511 -0.603 0.000) 5.544 5.371 ( 5.511 -0.603 0.000) 5.544 5.622 ( -0.841 3.764 0.000) 3.857 5.622 ( 0.841 3.764 0.000) 3.857 6.016 ( -6.340 -5.077 0.000) 8.122 6.016 ( 6.340 -5.077 0.000) 8.122 6.104 ( -0.462 1.314 0.000) 1.393 6.104 ( 0.462 1.314 0.000) 1.393 6.221 ( -0.855 1.566 0.000) 1.785 6.221 ( 0.855 1.566 0.000) 1.785 6.419 ( -6.691 -2.253 0.000) 7.061 6.419 ( 6.691 -2.253 0.000) 7.061 6.546 ( -7.573 -0.424 0.000) 7.585 6.546 ( 7.573 -0.424 0.000) 7.585 7.155 ( -2.089 7.208 0.000) 7.504 7.155 ( 2.089 7.208 0.000) 7.504 7.344 ( -4.033 -0.992 0.000) 4.154 7.344 ( 4.033 -0.992 0.000) 4.154 7.837 ( -4.662 1.251 0.000) 4.826 7.837 ( 4.662 1.251 0.000) 4.826 8.088 ( -0.417 0.687 0.000) 0.803 8.088 ( 0.417 0.687 0.000) 0.803 8.397 ( -2.992 -3.836 0.000) 4.865 8.397 ( 2.992 -3.836 0.000) 4.865 9.027 ( -0.085 -1.219 0.000) 1.222 9.027 ( 0.085 -1.219 0.000) 1.222 10.044 ( -0.109 0.948 0.000) 0.954 10.044 ( 0.109 0.948 0.000) 0.954 10.271 ( -1.763 0.331 0.000) 1.793 10.271 ( 1.763 0.331 0.000) 1.793 10.428 ( -1.160 0.533 0.000) 1.277 10.428 ( 1.160 0.533 0.000) 1.277 10.815 ( -0.459 0.772 0.000) 0.898 10.815 ( 0.459 0.772 0.000) 0.898 11.868 ( -2.722 0.977 0.000) 2.892 11.868 ( 2.722 0.977 0.000) 2.892 11.960 ( -2.305 -0.902 0.000) 2.475 11.960 ( 2.305 -0.902 0.000) 2.475 12.574 ( -0.106 0.836 0.000) 0.842 12.574 ( 0.106 0.836 0.000) 0.842 13.500 ( -4.022 -3.264 0.000) 5.180 13.500 ( 4.022 -3.264 0.000) 5.180 14.117 ( -0.234 0.146 0.000) 0.276 14.117 ( 0.234 0.146 0.000) 0.276 14.538 ( -0.793 0.073 0.000) 0.797 14.538 ( 0.793 0.073 0.000) 0.797 14.862 ( -2.291 -0.050 0.000) 2.292 14.862 ( 2.291 -0.050 0.000) 2.292 15.225 ( -0.046 -0.241 0.000) 0.245 15.225 ( 0.046 -0.241 0.000) 0.245 16.374 ( -8.832 -0.027 0.000) 8.832 16.374 ( 8.832 -0.027 0.000) 8.832 16.676 ( -6.728 -2.442 0.000) 7.158 16.676 ( 6.728 -2.442 0.000) 7.158 21.189 ( -3.018 0.178 0.000) 3.024 21.189 ( 3.018 0.178 0.000) 3.024 21.662 ( -0.139 -0.723 0.000) 0.736 21.662 ( 0.139 -0.723 0.000) 0.736 22.175 ( -0.060 0.823 0.000) 0.825 22.175 ( 0.060 0.823 0.000) 0.825 22.455 ( -0.137 -0.134 0.000) 0.191 22.455 ( 0.137 -0.134 0.000) 0.191 28.489 ( -0.003 0.096 0.000) 0.096 28.489 ( 0.003 0.096 0.000) 0.096 28.563 ( -0.039 -0.144 0.000) 0.149 28.563 ( 0.039 -0.144 0.000) 0.149 28.985 ( -9.887 0.832 0.000) 9.922 28.985 ( 9.887 0.832 0.000) 9.922 29.220 ( -11.066 -3.428 0.000) 11.585 29.220 ( 11.066 -3.428 0.000) 11.585 29.827 ( -9.283 7.570 0.000) 11.978 29.827 ( 9.283 7.570 0.000) 11.978 30.488 ( -7.316 -4.582 0.000) 8.632 30.488 ( 7.316 -4.582 0.000) 8.632 31.151 ( -1.160 0.248 0.000) 1.186 31.151 ( 1.160 0.248 0.000) 1.186 31.399 ( -1.746 -5.145 0.000) 5.434 31.399 ( 1.746 -5.145 0.000) 5.434 32.103 ( -3.846 -1.852 0.000) 4.268 32.103 ( 3.846 -1.852 0.000) 4.268 32.824 ( -13.399 4.548 0.000) 14.150 32.824 ( 13.399 4.548 0.000) 14.150 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 -17.079 0.000) 17.079 1.111 ( 0.000 17.079 0.000) 17.079 1.276 ( 0.000 -18.374 0.000) 18.374 1.276 ( 0.000 18.374 0.000) 18.374 1.841 ( 0.000 -38.009 0.000) 38.009 1.841 ( 0.000 38.009 0.000) 38.009 2.835 ( 0.000 -17.594 0.000) 17.594 2.835 ( 0.000 17.594 0.000) 17.594 3.189 ( 0.000 -4.688 0.000) 4.688 3.189 ( 0.000 4.688 0.000) 4.688 3.543 ( 0.000 -10.224 0.000) 10.224 3.543 ( 0.000 10.224 0.000) 10.224 3.599 ( 0.000 -1.459 0.000) 1.459 3.599 ( 0.000 1.459 0.000) 1.459 4.049 ( 0.000 -0.536 0.000) 0.536 4.049 ( 0.000 0.536 0.000) 0.536 4.333 ( 0.000 -12.278 0.000) 12.278 4.333 ( 0.000 12.278 0.000) 12.278 4.770 ( 0.000 -1.388 0.000) 1.388 4.770 ( 0.000 1.388 0.000) 1.388 5.024 ( 0.000 -0.582 0.000) 0.582 5.024 ( 0.000 0.582 0.000) 0.582 5.311 ( 0.000 -5.741 0.000) 5.741 5.311 ( 0.000 5.741 0.000) 5.741 5.469 ( 0.000 -6.140 0.000) 6.140 5.469 ( 0.000 6.140 0.000) 6.140 5.529 ( 0.000 -0.740 0.000) 0.740 5.529 ( 0.000 0.740 0.000) 0.740 5.895 ( 0.000 -11.005 0.000) 11.005 5.895 ( 0.000 11.005 0.000) 11.005 6.067 ( 0.000 -0.002 0.000) 0.002 6.067 ( 0.000 0.002 0.000) 0.002 6.186 ( 0.000 -0.078 0.000) 0.078 6.186 ( 0.000 0.078 0.000) 0.078 6.350 ( 0.000 -1.678 0.000) 1.678 6.350 ( 0.000 1.678 0.000) 1.678 6.829 ( 0.000 -4.953 0.000) 4.953 6.829 ( 0.000 4.953 0.000) 4.953 6.879 ( 0.000 -2.049 0.000) 2.049 6.879 ( 0.000 2.049 0.000) 2.049 7.401 ( 0.000 -10.518 0.000) 10.518 7.401 ( 0.000 10.518 0.000) 10.518 7.761 ( 0.000 -7.469 0.000) 7.469 7.761 ( 0.000 7.469 0.000) 7.469 7.901 ( 0.000 -0.868 0.000) 0.868 7.901 ( 0.000 0.868 0.000) 0.868 8.073 ( 0.000 -2.707 0.000) 2.707 8.073 ( 0.000 2.707 0.000) 2.707 8.442 ( 0.000 -6.755 0.000) 6.755 8.442 ( 0.000 6.755 0.000) 6.755 9.413 ( 0.000 -3.179 0.000) 3.179 9.413 ( 0.000 3.179 0.000) 3.179 9.595 ( 0.000 -1.075 0.000) 1.075 9.595 ( 0.000 1.075 0.000) 1.075 9.711 ( 0.000 -0.633 0.000) 0.633 9.711 ( 0.000 0.633 0.000) 0.633 10.916 ( 0.000 -0.833 0.000) 0.833 10.916 ( 0.000 0.833 0.000) 0.833 11.024 ( 0.000 -1.793 0.000) 1.793 11.024 ( 0.000 1.793 0.000) 1.793 11.391 ( 0.000 -2.793 0.000) 2.793 11.391 ( 0.000 2.793 0.000) 2.793 11.767 ( 0.000 -2.208 0.000) 2.208 11.767 ( 0.000 2.208 0.000) 2.208 13.067 ( 0.000 -2.666 0.000) 2.666 13.067 ( 0.000 2.666 0.000) 2.666 13.214 ( 0.000 -2.082 0.000) 2.082 13.214 ( 0.000 2.082 0.000) 2.082 13.912 ( 0.000 -0.021 0.000) 0.021 13.912 ( 0.000 0.021 0.000) 0.021 13.956 ( 0.000 -0.764 0.000) 0.764 13.956 ( 0.000 0.764 0.000) 0.764 14.548 ( 0.000 -2.486 0.000) 2.486 14.548 ( 0.000 2.486 0.000) 2.486 15.563 ( 0.000 -1.010 0.000) 1.010 15.563 ( 0.000 1.010 0.000) 1.010 15.695 ( 0.000 -0.714 0.000) 0.714 15.695 ( 0.000 0.714 0.000) 0.714 17.444 ( 0.000 -1.370 0.000) 1.370 17.444 ( 0.000 1.370 0.000) 1.370 20.572 ( 0.000 -1.696 0.000) 1.696 20.572 ( 0.000 1.696 0.000) 1.696 22.073 ( 0.000 -0.352 0.000) 0.352 22.073 ( 0.000 0.352 0.000) 0.352 22.288 ( 0.000 -1.460 0.000) 1.460 22.288 ( 0.000 1.460 0.000) 1.460 22.526 ( 0.000 -1.963 0.000) 1.963 22.526 ( 0.000 1.963 0.000) 1.963 28.491 ( 0.000 -0.138 0.000) 0.138 28.491 ( 0.000 0.138 0.000) 0.138 28.589 ( 0.000 -0.068 0.000) 0.068 28.589 ( 0.000 0.068 0.000) 0.068 28.631 ( 0.000 -0.780 0.000) 0.780 28.631 ( 0.000 0.780 0.000) 0.780 28.717 ( 0.000 -1.374 0.000) 1.374 28.717 ( 0.000 1.374 0.000) 1.374 29.780 ( 0.000 -6.265 0.000) 6.265 29.780 ( 0.000 6.265 0.000) 6.265 30.188 ( 0.000 -3.129 0.000) 3.129 30.188 ( 0.000 3.129 0.000) 3.129 31.142 ( 0.000 -2.345 0.000) 2.345 31.142 ( 0.000 2.345 0.000) 2.345 31.333 ( 0.000 -10.355 0.000) 10.355 31.333 ( 0.000 10.355 0.000) 10.355 31.493 ( 0.000 -5.351 0.000) 5.351 31.493 ( 0.000 5.351 0.000) 5.351 33.975 ( 0.000 -5.592 0.000) 5.592 33.975 ( 0.000 5.592 0.000) 5.592 ======================= Grid point 16 (10/72) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 8.376 -20.202 0.000) 21.869 1.381 ( 8.376 20.202 0.000) 21.869 1.553 ( 21.931 -22.475 0.000) 31.402 1.553 ( 21.931 22.475 0.000) 31.402 1.935 ( 20.024 -14.802 0.000) 24.901 1.935 ( 20.024 14.802 0.000) 24.901 2.740 ( -10.314 -20.192 0.000) 22.674 2.740 ( -10.314 20.192 0.000) 22.674 3.305 ( 9.997 -0.172 0.000) 9.998 3.305 ( 9.997 0.172 0.000) 9.998 3.479 ( -5.207 -8.868 0.000) 10.283 3.479 ( -5.207 8.868 0.000) 10.284 3.682 ( 10.737 -3.045 0.000) 11.161 3.682 ( 10.737 3.045 0.000) 11.161 4.123 ( 6.118 -0.380 0.000) 6.129 4.123 ( 6.118 0.380 0.000) 6.129 4.396 ( 5.923 -10.143 0.000) 11.746 4.396 ( 5.923 10.143 0.000) 11.746 4.736 ( -3.204 -1.448 0.000) 3.516 4.736 ( -3.204 1.448 0.000) 3.516 4.995 ( -4.833 -0.474 0.000) 4.856 4.995 ( -4.833 0.474 0.000) 4.856 5.283 ( -6.047 -2.656 0.000) 6.605 5.283 ( -6.047 2.656 0.000) 6.605 5.438 ( 4.874 -7.997 0.000) 9.365 5.438 ( 4.874 7.997 0.000) 9.365 5.583 ( 2.861 -2.317 0.000) 3.681 5.583 ( 2.861 2.317 0.000) 3.681 5.869 ( -10.069 -15.132 0.000) 18.176 5.869 ( -10.069 15.132 0.000) 18.176 5.991 ( -0.416 -3.861 0.000) 3.884 5.991 ( -0.416 3.861 0.000) 3.884 6.173 ( -0.986 -2.518 0.000) 2.704 6.173 ( -0.986 2.518 0.000) 2.704 6.305 ( -1.064 -0.962 0.000) 1.435 6.305 ( -1.064 0.962 0.000) 1.435 6.677 ( -11.192 -5.468 0.000) 12.457 6.677 ( -11.192 5.468 0.000) 12.457 7.021 ( 3.909 -2.232 0.000) 4.501 7.021 ( 3.909 2.232 0.000) 4.501 7.348 ( -24.541 -0.041 0.000) 24.541 7.348 ( -24.541 0.041 0.000) 24.541 7.409 ( -3.977 -5.474 0.000) 6.766 7.409 ( -3.977 5.474 0.000) 6.766 7.787 ( 1.110 -6.861 0.000) 6.950 7.787 ( 1.110 6.861 0.000) 6.950 8.181 ( -2.849 -3.838 0.000) 4.779 8.181 ( -2.849 3.838 0.000) 4.779 8.409 ( -2.302 -6.896 0.000) 7.270 8.409 ( -2.302 6.896 0.000) 7.270 9.366 ( -8.360 -1.931 0.000) 8.580 9.366 ( -8.360 1.931 0.000) 8.580 9.576 ( 7.817 -0.905 0.000) 7.870 9.576 ( 7.817 0.905 0.000) 7.870 9.939 ( 13.874 -0.196 0.000) 13.875 9.939 ( 13.874 0.196 0.000) 13.875 10.786 ( -8.144 -0.899 0.000) 8.194 10.786 ( -8.144 0.899 0.000) 8.194 11.016 ( -4.054 -0.053 0.000) 4.054 11.016 ( -4.054 0.053 0.000) 4.054 11.488 ( 7.984 -0.867 0.000) 8.031 11.488 ( 7.984 0.867 0.000) 8.031 11.815 ( 6.564 -3.457 0.000) 7.419 11.815 ( 6.564 3.457 0.000) 7.419 12.862 ( -12.130 -0.860 0.000) 12.160 12.862 ( -12.130 0.860 0.000) 12.160 13.479 ( 11.361 -2.313 0.000) 11.594 13.479 ( 11.361 2.313 0.000) 11.594 13.825 ( 1.070 -0.092 0.000) 1.074 13.825 ( 1.070 0.092 0.000) 1.074 14.290 ( 20.103 -1.156 0.000) 20.136 14.290 ( 20.103 1.156 0.000) 20.136 14.598 ( 4.267 -0.133 0.000) 4.269 14.598 ( 4.267 0.133 0.000) 4.269 15.493 ( -6.218 -0.205 0.000) 6.221 15.493 ( -6.218 0.205 0.000) 6.221 15.766 ( 7.995 -0.362 0.000) 8.004 15.766 ( 7.995 0.362 0.000) 8.004 17.308 ( -12.630 -0.776 0.000) 12.654 17.308 ( -12.630 0.776 0.000) 12.654 20.673 ( 9.963 -0.042 0.000) 9.963 20.673 ( 9.963 0.042 0.000) 9.963 22.029 ( -4.868 -0.267 0.000) 4.875 22.029 ( -4.868 0.267 0.000) 4.875 22.249 ( -3.174 -1.495 0.000) 3.509 22.249 ( -3.174 1.495 0.000) 3.509 22.501 ( -1.901 -0.957 0.000) 2.128 22.501 ( -1.901 0.957 0.000) 2.128 28.490 ( 0.019 -0.048 0.000) 0.052 28.490 ( 0.019 0.048 0.000) 0.052 28.556 ( 0.110 -0.491 0.000) 0.503 28.556 ( 0.110 0.491 0.000) 0.503 28.633 ( 4.447 -1.030 0.000) 4.564 28.633 ( 4.447 1.030 0.000) 4.564 29.206 ( 31.102 -14.769 0.000) 34.430 29.206 ( 31.102 14.769 0.000) 34.430 29.688 ( -7.141 -6.398 0.000) 9.588 29.688 ( -7.141 6.398 0.000) 9.588 30.198 ( 1.389 -3.316 0.000) 3.596 30.198 ( 1.389 3.316 0.000) 3.596 31.172 ( 2.179 -0.711 0.000) 2.292 31.172 ( 2.179 0.711 0.000) 2.292 31.315 ( -1.315 -9.126 0.000) 9.220 31.315 ( -1.315 9.126 0.000) 9.220 31.605 ( 10.351 -4.986 0.000) 11.490 31.605 ( 10.351 4.986 0.000) 11.490 33.701 ( -23.452 -3.544 0.000) 23.719 33.701 ( -23.452 3.544 0.000) 23.719 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -3.072 -12.934 0.000) 13.293 1.351 ( -3.072 12.934 0.000) 13.293 1.984 ( 14.766 -14.994 0.000) 21.044 1.984 ( 14.766 14.994 0.000) 21.044 2.327 ( 0.100 -12.077 0.000) 12.078 2.327 ( 0.100 12.077 0.000) 12.078 2.630 ( 7.539 -0.458 0.000) 7.553 2.630 ( 7.539 0.458 0.000) 7.553 3.364 ( 7.593 -5.784 0.000) 9.545 3.364 ( 7.593 5.784 0.000) 9.545 3.671 ( 16.214 -1.443 0.000) 16.278 3.671 ( 16.214 1.443 0.000) 16.278 3.907 ( 6.183 -9.697 0.000) 11.500 3.907 ( 6.183 9.697 0.000) 11.500 4.294 ( 7.596 -1.628 0.000) 7.768 4.294 ( 7.596 1.628 0.000) 7.768 4.554 ( 7.277 -5.471 0.000) 9.104 4.554 ( 7.277 5.471 0.000) 9.104 4.663 ( 3.239 -3.756 0.000) 4.960 4.663 ( 3.239 3.756 0.000) 4.960 4.872 ( -5.636 -2.939 0.000) 6.356 4.872 ( -5.636 2.939 0.000) 6.356 5.141 ( -5.467 -7.471 0.000) 9.258 5.141 ( -5.467 7.471 0.000) 9.258 5.393 ( -12.162 -7.795 0.000) 14.446 5.393 ( -12.162 7.795 0.000) 14.446 5.636 ( 1.895 -6.512 0.000) 6.782 5.636 ( 1.895 6.512 0.000) 6.782 5.798 ( 2.254 -6.696 0.000) 7.065 5.798 ( 2.254 6.696 0.000) 7.065 5.930 ( -10.910 -0.805 0.000) 10.939 5.930 ( -10.910 0.805 0.000) 10.939 6.133 ( 1.321 -0.829 0.000) 1.560 6.133 ( 1.321 0.829 0.000) 1.560 6.292 ( -3.120 -1.205 0.000) 3.345 6.292 ( -3.120 1.205 0.000) 3.345 6.413 ( -10.246 -1.310 0.000) 10.329 6.413 ( -10.246 1.310 0.000) 10.329 6.725 ( -17.111 -4.236 0.000) 17.628 6.725 ( -17.111 4.236 0.000) 17.628 7.214 ( 3.060 -2.635 0.000) 4.038 7.214 ( 3.060 2.635 0.000) 4.038 7.375 ( -3.056 -4.767 0.000) 5.663 7.375 ( -3.056 4.767 0.000) 5.663 7.826 ( 2.285 -4.629 0.000) 5.163 7.826 ( 2.285 4.629 0.000) 5.163 8.108 ( -1.770 -3.427 0.000) 3.857 8.108 ( -1.770 3.427 0.000) 3.857 8.362 ( -1.934 -4.306 0.000) 4.720 8.362 ( -1.934 4.306 0.000) 4.720 9.131 ( -10.613 -0.069 0.000) 10.613 9.131 ( -10.613 0.069 0.000) 10.613 9.867 ( 15.474 -0.080 0.000) 15.474 9.867 ( 15.474 0.080 0.000) 15.474 10.153 ( 7.465 -0.005 0.000) 7.465 10.153 ( 7.465 0.005 0.000) 7.465 10.607 ( -9.784 -0.569 0.000) 9.801 10.607 ( -9.784 0.569 0.000) 9.801 10.895 ( -6.038 -0.160 0.000) 6.040 10.895 ( -6.038 0.160 0.000) 6.040 11.687 ( 11.192 -0.547 0.000) 11.205 11.687 ( 11.192 0.547 0.000) 11.205 11.972 ( 4.904 -1.428 0.000) 5.108 11.972 ( 4.904 1.428 0.000) 5.108 12.647 ( -7.344 -0.433 0.000) 7.357 12.647 ( -7.344 0.433 0.000) 7.357 13.513 ( -3.937 -3.846 0.000) 5.504 13.513 ( -3.937 3.846 0.000) 5.504 13.987 ( 10.585 -0.027 0.000) 10.585 13.987 ( 10.585 0.027 0.000) 10.585 14.550 ( 2.601 -0.739 0.000) 2.704 14.550 ( 2.601 0.739 0.000) 2.704 14.726 ( 9.416 -3.847 0.000) 10.172 14.726 ( 9.416 3.847 0.000) 10.172 15.337 ( -8.253 -0.074 0.000) 8.253 15.337 ( -8.253 0.074 0.000) 8.253 16.048 ( 18.584 -1.877 0.000) 18.679 16.048 ( 18.584 1.877 0.000) 18.679 16.971 ( -19.191 -1.213 0.000) 19.230 16.971 ( -19.191 1.213 0.000) 19.230 20.954 ( 16.132 -0.552 0.000) 16.141 20.954 ( 16.132 0.552 0.000) 16.141 21.849 ( -12.284 -0.032 0.000) 12.284 21.849 ( -12.284 0.032 0.000) 12.284 22.198 ( -1.401 -0.151 0.000) 1.410 22.198 ( -1.401 0.151 0.000) 1.410 22.466 ( -1.282 -0.626 0.000) 1.427 22.466 ( -1.282 0.626 0.000) 1.427 28.490 ( 0.030 -0.009 0.000) 0.032 28.490 ( 0.030 0.009 0.000) 0.032 28.560 ( 0.069 -0.097 0.000) 0.119 28.560 ( 0.069 0.097 0.000) 0.119 28.802 ( 11.121 -3.337 0.000) 11.611 28.802 ( 11.121 3.337 0.000) 11.611 29.381 ( -11.294 -4.791 0.000) 12.268 29.381 ( -11.294 4.791 0.000) 12.268 29.822 ( 13.804 -14.915 0.000) 20.323 29.822 ( 13.804 14.915 0.000) 20.323 30.286 ( 8.021 -0.866 0.000) 8.068 30.286 ( 8.021 0.866 0.000) 8.068 31.186 ( -1.121 -1.562 0.000) 1.923 31.186 ( -1.121 1.562 0.000) 1.923 31.310 ( 0.975 -3.239 0.000) 3.383 31.310 ( 0.975 3.239 0.000) 3.383 31.877 ( 14.876 -3.270 0.000) 15.231 31.877 ( 14.876 3.270 0.000) 15.231 33.181 ( -24.068 -7.272 0.000) 25.143 33.181 ( -24.068 7.272 0.000) 25.143 ======================= Grid point 20 (12/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 -0.000 0.000) 0.000 2.520 ( 0.000 -0.000 0.000) 0.000 2.526 ( -0.000 0.000 0.000) 0.000 2.526 ( -0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.868 ( -0.000 0.000 0.000) 0.000 3.868 ( -0.000 0.000 0.000) 0.000 3.877 ( 0.000 -0.000 0.000) 0.000 3.877 ( 0.000 -0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 -0.000 0.000) 0.000 4.750 ( 0.000 -0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.355 ( -0.000 0.000 0.000) 0.000 5.355 ( -0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 6.127 ( -0.000 0.000 0.000) 0.000 6.127 ( -0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.946 ( -0.000 0.000 0.000) 0.000 11.946 ( -0.000 0.000 0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 13.456 ( 0.000 0.000 0.000) 0.000 13.456 ( 0.000 0.000 0.000) 0.000 14.119 ( 0.000 0.000 0.000) 0.000 14.119 ( 0.000 0.000 0.000) 0.000 14.539 ( 0.000 0.000 0.000) 0.000 14.539 ( 0.000 0.000 0.000) 0.000 14.862 ( 0.000 0.000 0.000) 0.000 14.862 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 16.374 ( 0.000 0.000 0.000) 0.000 16.374 ( 0.000 0.000 0.000) 0.000 16.645 ( 0.000 0.000 0.000) 0.000 16.645 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 21.652 ( 0.000 0.000 0.000) 0.000 21.652 ( 0.000 0.000 0.000) 0.000 22.186 ( 0.000 0.000 0.000) 0.000 22.186 ( 0.000 0.000 0.000) 0.000 22.453 ( 0.000 0.000 0.000) 0.000 22.453 ( 0.000 0.000 0.000) 0.000 28.491 ( 0.000 0.000 0.000) 0.000 28.491 ( 0.000 0.000 0.000) 0.000 28.561 ( 0.000 0.000 0.000) 0.000 28.561 ( 0.000 0.000 0.000) 0.000 28.998 ( 0.000 0.000 0.000) 0.000 28.998 ( 0.000 0.000 0.000) 0.000 29.176 ( 0.000 0.000 0.000) 0.000 29.176 ( 0.000 0.000 0.000) 0.000 29.939 ( 0.000 0.000 0.000) 0.000 29.939 ( 0.000 0.000 0.000) 0.000 30.409 ( 0.000 0.000 0.000) 0.000 30.409 ( 0.000 0.000 0.000) 0.000 31.165 ( 0.000 0.000 0.000) 0.000 31.165 ( 0.000 0.000 0.000) 0.000 31.325 ( 0.000 0.000 0.000) 0.000 31.325 ( 0.000 0.000 0.000) 0.000 32.084 ( 0.000 0.000 0.000) 0.000 32.084 ( 0.000 0.000 0.000) 0.000 32.879 ( 0.000 0.000 0.000) 0.000 32.879 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 0.000 30.387) 30.387 0.834 ( 0.000 0.000 40.151) 40.151 1.110 ( 0.000 0.000 50.567) 50.567 1.948 ( 0.000 0.000 24.587) 24.587 2.062 ( 0.000 0.000 23.490) 23.490 2.204 ( 0.000 0.000 5.617) 5.617 2.787 ( 0.000 0.000 -3.955) 3.955 2.911 ( 0.000 0.000 -2.565) 2.565 3.241 ( 0.000 0.000 1.658) 1.658 3.521 ( 0.000 0.000 8.955) 8.955 3.522 ( 0.000 0.000 5.118) 5.118 3.524 ( 0.000 0.000 -5.825) 5.825 3.858 ( 0.000 0.000 4.855) 4.855 4.020 ( 0.000 0.000 15.109) 15.109 4.055 ( 0.000 0.000 12.122) 12.122 4.262 ( 0.000 0.000 17.032) 17.032 4.359 ( 0.000 0.000 -11.527) 11.527 4.645 ( 0.000 0.000 15.483) 15.483 4.731 ( 0.000 0.000 -6.256) 6.256 4.779 ( 0.000 0.000 -6.222) 6.222 4.855 ( 0.000 0.000 7.399) 7.399 5.049 ( 0.000 0.000 -7.009) 7.009 5.067 ( 0.000 0.000 -6.350) 6.350 5.211 ( 0.000 0.000 -7.146) 7.146 5.291 ( 0.000 0.000 3.647) 3.647 5.402 ( 0.000 0.000 -0.707) 0.707 5.452 ( 0.000 0.000 -10.180) 10.180 5.507 ( 0.000 0.000 -8.319) 8.319 5.914 ( 0.000 0.000 2.905) 2.905 5.948 ( 0.000 0.000 -3.130) 3.130 6.076 ( 0.000 0.000 -8.321) 8.321 6.167 ( 0.000 0.000 -3.118) 3.118 6.281 ( 0.000 0.000 -3.567) 3.567 6.383 ( 0.000 0.000 9.299) 9.299 6.422 ( 0.000 0.000 1.761) 1.761 6.425 ( 0.000 0.000 -0.946) 0.946 6.492 ( 0.000 0.000 0.603) 0.603 6.665 ( 0.000 0.000 9.013) 9.013 6.828 ( 0.000 0.000 3.147) 3.147 7.138 ( 0.000 0.000 7.454) 7.454 7.152 ( 0.000 0.000 -4.911) 4.911 7.318 ( 0.000 0.000 1.240) 1.240 7.576 ( 0.000 0.000 -1.621) 1.621 7.654 ( 0.000 0.000 -13.002) 13.002 7.910 ( 0.000 0.000 -3.425) 3.425 7.933 ( 0.000 0.000 8.106) 8.106 7.934 ( 0.000 0.000 2.823) 2.823 8.164 ( 0.000 0.000 12.164) 12.164 8.311 ( 0.000 0.000 7.525) 7.525 8.691 ( 0.000 0.000 3.360) 3.360 9.032 ( 0.000 0.000 -18.679) 18.679 9.283 ( 0.000 0.000 -17.624) 17.624 9.696 ( 0.000 0.000 8.298) 8.298 9.715 ( 0.000 0.000 10.661) 10.661 9.728 ( 0.000 0.000 14.420) 14.420 9.801 ( 0.000 0.000 2.374) 2.374 10.693 ( 0.000 0.000 3.000) 3.000 10.906 ( 0.000 0.000 -0.952) 0.952 10.952 ( 0.000 0.000 -6.747) 6.747 10.968 ( 0.000 0.000 0.355) 0.355 11.621 ( 0.000 0.000 9.483) 9.483 11.670 ( 0.000 0.000 3.763) 3.763 11.818 ( 0.000 0.000 5.566) 5.566 11.883 ( 0.000 0.000 7.086) 7.086 13.006 ( 0.000 0.000 -5.616) 5.616 13.065 ( 0.000 0.000 -1.253) 1.253 13.148 ( 0.000 0.000 -2.335) 2.335 13.201 ( 0.000 0.000 -2.297) 2.297 13.826 ( 0.000 0.000 -8.268) 8.268 13.854 ( 0.000 0.000 -8.248) 8.248 14.024 ( 0.000 0.000 0.892) 0.892 14.332 ( 0.000 0.000 -13.641) 13.641 14.452 ( 0.000 0.000 -14.851) 14.851 14.655 ( 0.000 0.000 -20.646) 20.646 15.365 ( 0.000 0.000 -13.856) 13.856 15.373 ( 0.000 0.000 -15.238) 15.238 15.856 ( 0.000 0.000 15.548) 15.548 16.382 ( 0.000 0.000 23.631) 23.631 17.709 ( 0.000 0.000 20.987) 20.987 18.047 ( 0.000 0.000 14.328) 14.328 20.095 ( 0.000 0.000 -23.358) 23.358 20.239 ( 0.000 0.000 -23.383) 23.383 22.084 ( 0.000 0.000 -1.587) 1.587 22.092 ( 0.000 0.000 -1.148) 1.148 22.314 ( 0.000 0.000 5.913) 5.913 22.376 ( 0.000 0.000 4.177) 4.177 22.656 ( 0.000 0.000 19.537) 19.537 22.664 ( 0.000 0.000 17.878) 17.878 28.494 ( 0.000 0.000 9.336) 9.336 28.537 ( 0.000 0.000 2.143) 2.143 28.542 ( 0.000 0.000 1.219) 1.219 28.642 ( 0.000 0.000 0.257) 0.257 28.658 ( 0.000 0.000 -1.355) 1.355 28.754 ( 0.000 0.000 8.969) 8.969 28.797 ( 0.000 0.000 19.706) 19.706 29.650 ( 0.000 0.000 2.198) 2.198 29.948 ( 0.000 0.000 2.717) 2.717 30.095 ( 0.000 0.000 2.720) 2.720 30.246 ( 0.000 0.000 -1.166) 1.166 30.909 ( 0.000 0.000 -0.170) 0.170 31.022 ( 0.000 0.000 -3.347) 3.347 31.215 ( 0.000 0.000 -1.811) 1.811 31.269 ( 0.000 0.000 -1.445) 1.445 31.502 ( 0.000 0.000 -5.110) 5.110 31.640 ( 0.000 0.000 -0.792) 0.792 31.906 ( 0.000 0.000 -3.324) 3.324 32.029 ( 0.000 0.000 -2.869) 2.869 33.619 ( 0.000 0.000 -17.712) 17.712 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 18.815 0.000 23.263) 29.919 1.182 ( 32.957 0.000 19.942) 38.521 1.687 ( 32.315 0.000 32.418) 45.773 1.981 ( -11.061 0.000 12.262) 16.514 2.043 ( 16.534 0.000 11.047) 19.885 2.444 ( 22.830 0.000 27.066) 35.408 2.708 ( -4.502 0.000 2.057) 4.950 3.118 ( 17.436 0.000 -5.354) 18.239 3.118 ( -11.333 0.000 1.536) 11.437 3.469 ( -11.119 0.000 6.153) 12.708 3.537 ( 5.204 0.000 6.109) 8.025 3.684 ( 4.101 0.000 -1.520) 4.374 3.694 ( -0.563 0.000 0.789) 0.969 3.889 ( 0.949 0.000 12.117) 12.155 4.255 ( -1.074 0.000 -1.244) 1.644 4.277 ( 11.654 0.000 14.398) 18.524 4.337 ( -1.662 0.000 1.909) 2.531 4.672 ( -1.996 0.000 3.215) 3.785 4.725 ( 3.205 0.000 5.300) 6.194 4.745 ( -2.868 0.000 -4.477) 5.316 4.916 ( -11.362 0.000 -6.588) 13.134 4.962 ( -5.032 0.000 -4.281) 6.607 5.024 ( 5.747 0.000 0.924) 5.821 5.168 ( -1.879 0.000 -0.689) 2.001 5.276 ( -1.624 0.000 10.675) 10.798 5.437 ( 1.828 0.000 -3.839) 4.252 5.479 ( -2.431 0.000 -3.621) 4.361 5.545 ( 7.145 0.000 -7.003) 10.005 5.832 ( 1.315 0.000 -0.398) 1.374 5.939 ( 0.043 0.000 -2.937) 2.937 6.053 ( -0.581 0.000 -6.646) 6.671 6.132 ( -8.477 0.000 -1.620) 8.630 6.169 ( -4.357 0.000 -2.899) 5.234 6.250 ( -3.631 0.000 1.597) 3.966 6.332 ( -5.763 0.000 5.534) 7.990 6.385 ( -9.771 0.000 -1.529) 9.890 6.533 ( -4.978 0.000 0.835) 5.047 6.686 ( 1.786 0.000 6.808) 7.038 6.840 ( 2.501 0.000 3.665) 4.437 6.979 ( -11.391 0.000 -2.927) 11.761 7.171 ( -24.882 0.000 -4.664) 25.316 7.196 ( -1.341 0.000 1.907) 2.331 7.380 ( -1.153 0.000 1.631) 1.998 7.417 ( -10.692 0.000 -0.279) 10.696 7.773 ( 0.959 0.000 12.010) 12.048 8.019 ( 3.373 0.000 4.644) 5.739 8.105 ( 3.347 0.000 6.629) 7.426 8.260 ( -0.406 0.000 6.729) 6.742 8.309 ( 3.906 0.000 3.981) 5.577 8.671 ( -2.020 0.000 3.485) 4.028 9.167 ( 8.324 0.000 -12.554) 15.063 9.325 ( -1.120 0.000 -10.059) 10.121 9.531 ( -1.357 0.000 2.414) 2.769 9.537 ( -0.840 0.000 1.811) 1.996 10.012 ( 9.523 0.000 3.625) 10.189 10.050 ( 11.808 0.000 5.991) 13.241 10.637 ( -4.104 0.000 2.562) 4.838 10.802 ( -6.803 0.000 -0.281) 6.808 10.939 ( -2.430 0.000 -4.700) 5.291 11.017 ( -0.382 0.000 0.647) 0.752 11.562 ( -3.286 0.000 8.937) 9.522 11.648 ( 2.736 0.000 8.292) 8.732 11.842 ( 6.305 0.000 4.855) 7.958 11.968 ( 7.803 0.000 5.578) 9.592 12.785 ( -12.732 0.000 -2.032) 12.893 12.954 ( -13.058 0.000 -0.593) 13.071 13.356 ( 14.863 0.000 -14.178) 20.540 13.377 ( 5.850 0.000 -6.589) 8.811 13.746 ( -1.152 0.000 -7.367) 7.457 13.822 ( -0.289 0.000 -7.726) 7.732 14.219 ( 11.300 0.000 -7.910) 13.794 14.261 ( -0.071 0.000 -15.659) 15.659 14.522 ( 6.103 0.000 -9.709) 11.468 14.828 ( 6.370 0.000 -20.194) 21.175 15.311 ( -5.074 0.000 -13.206) 14.147 15.323 ( -4.958 0.000 -13.898) 14.756 15.940 ( 8.516 0.000 16.311) 18.400 16.350 ( 1.446 0.000 28.610) 28.646 17.562 ( -13.286 0.000 19.266) 23.403 17.643 ( -25.348 0.000 24.432) 35.205 20.262 ( 15.162 0.000 -20.954) 25.864 20.442 ( 15.985 0.000 -19.503) 25.216 22.049 ( -5.840 0.000 -3.871) 7.006 22.053 ( -11.902 0.000 -2.088) 12.084 22.294 ( 4.298 0.000 2.570) 5.008 22.297 ( -3.922 0.000 7.648) 8.595 22.670 ( 0.463 0.000 18.181) 18.186 22.671 ( -0.455 0.000 16.282) 16.288 28.503 ( -1.475 0.000 1.449) 2.068 28.515 ( 0.350 0.000 3.418) 3.436 28.555 ( 2.525 0.000 5.536) 6.085 28.628 ( -1.134 0.000 2.628) 2.862 28.666 ( 2.686 0.000 4.477) 5.221 28.840 ( 7.569 0.000 9.627) 12.246 29.015 ( 18.493 0.000 12.839) 22.512 29.531 ( -8.880 0.000 3.439) 9.523 29.846 ( -8.938 0.000 3.116) 9.466 30.047 ( -4.326 0.000 3.056) 5.296 30.272 ( 2.305 0.000 -0.606) 2.383 30.906 ( -3.921 0.000 -2.169) 4.481 31.052 ( 2.949 0.000 -1.958) 3.540 31.186 ( -1.434 0.000 -2.067) 2.515 31.257 ( 2.490 0.000 0.607) 2.563 31.594 ( -2.572 0.000 -1.726) 3.098 31.665 ( 11.964 0.000 -4.584) 12.812 32.052 ( 5.794 0.000 -11.889) 13.225 32.078 ( 4.878 0.000 -3.203) 5.836 33.494 ( -12.658 0.000 -16.645) 20.911 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 10.086 0.000 19.202) 21.689 1.449 ( -16.596 0.000 17.457) 24.087 1.883 ( 28.364 0.000 21.920) 35.847 2.379 ( 4.149 0.000 12.342) 13.021 2.562 ( 5.065 0.000 11.145) 12.242 2.681 ( 29.507 0.000 5.642) 30.041 2.710 ( 5.080 0.000 11.444) 12.521 2.901 ( -4.694 0.000 7.251) 8.638 3.392 ( 10.141 0.000 15.384) 18.425 3.445 ( 5.102 0.000 -6.467) 8.237 3.605 ( 9.327 0.000 8.791) 12.817 3.824 ( 6.021 0.000 -0.827) 6.078 3.854 ( 13.463 0.000 -1.260) 13.522 4.025 ( 7.672 0.000 3.158) 8.297 4.192 ( -6.825 0.000 -10.460) 12.490 4.306 ( -4.143 0.000 -5.683) 7.033 4.409 ( -5.415 0.000 0.479) 5.436 4.602 ( 6.739 0.000 -3.355) 7.528 4.650 ( -5.921 0.000 -0.888) 5.987 4.683 ( -4.922 0.000 0.033) 4.922 4.848 ( 5.501 0.000 11.559) 12.802 4.958 ( 5.086 0.000 -1.855) 5.414 5.013 ( -1.689 0.000 2.232) 2.799 5.158 ( -1.669 0.000 1.298) 2.114 5.284 ( 4.046 0.000 13.749) 14.332 5.427 ( -3.427 0.000 -2.492) 4.238 5.451 ( -1.117 0.000 -6.746) 6.838 5.645 ( 0.371 0.000 -6.642) 6.652 5.818 ( -21.815 0.000 -4.430) 22.260 5.916 ( -14.205 0.000 -1.546) 14.289 5.926 ( 0.933 0.000 -7.330) 7.389 6.014 ( -4.720 0.000 -0.384) 4.736 6.048 ( -3.374 0.000 -8.121) 8.794 6.117 ( 0.156 0.000 -5.345) 5.347 6.205 ( -1.202 0.000 4.167) 4.337 6.336 ( -1.009 0.000 1.929) 2.177 6.377 ( -5.694 0.000 1.647) 5.927 6.577 ( -13.958 0.000 6.695) 15.480 6.687 ( -9.591 0.000 -4.624) 10.648 6.723 ( -5.776 0.000 7.209) 9.238 6.980 ( 3.616 0.000 0.497) 3.650 7.146 ( -3.044 0.000 1.414) 3.356 7.371 ( 2.458 0.000 6.971) 7.392 7.397 ( 1.261 0.000 1.996) 2.361 7.836 ( 4.333 0.000 12.094) 12.847 8.039 ( -2.267 0.000 10.299) 10.545 8.135 ( 0.585 0.000 6.069) 6.098 8.199 ( -2.827 0.000 6.281) 6.888 8.397 ( 4.624 0.000 4.711) 6.601 8.612 ( -3.826 0.000 5.253) 6.499 9.166 ( -8.300 0.000 2.738) 8.740 9.168 ( -5.595 0.000 2.504) 6.130 9.710 ( 14.826 0.000 -9.845) 17.797 9.759 ( 14.769 0.000 -8.509) 17.044 10.138 ( 2.705 0.000 -1.642) 3.164 10.180 ( 1.706 0.000 0.439) 1.761 10.559 ( -3.228 0.000 4.548) 5.577 10.649 ( -7.552 0.000 2.876) 8.081 10.850 ( -4.838 0.000 -1.052) 4.951 10.926 ( -6.777 0.000 2.162) 7.114 11.649 ( 9.335 0.000 2.360) 9.629 11.754 ( 7.283 0.000 2.656) 7.752 11.993 ( 5.900 0.000 2.906) 6.577 12.086 ( 0.014 0.000 3.691) 3.691 12.608 ( -2.835 0.000 1.867) 3.394 12.707 ( -9.269 0.000 1.986) 9.480 13.356 ( -3.242 0.000 -10.791) 11.268 13.477 ( -3.053 0.000 -15.633) 15.928 13.874 ( 9.235 0.000 -9.542) 13.279 13.895 ( 7.436 0.000 -9.144) 11.785 14.308 ( 2.672 0.000 -17.359) 17.564 14.369 ( 2.128 0.000 -16.253) 16.391 14.692 ( 10.830 0.000 -3.482) 11.376 14.890 ( 2.383 0.000 -10.704) 10.966 15.172 ( -8.179 0.000 -12.217) 14.702 15.173 ( -9.484 0.000 -12.051) 15.336 16.207 ( 17.133 0.000 17.204) 24.280 16.492 ( 11.020 0.000 23.164) 25.652 17.154 ( -22.548 0.000 19.329) 29.699 17.228 ( -17.912 0.000 17.399) 24.971 20.651 ( 21.317 0.000 -16.707) 27.084 20.816 ( 18.888 0.000 -13.983) 23.500 21.722 ( -18.003 0.000 -8.042) 19.718 21.800 ( -16.373 0.000 -7.279) 17.918 22.305 ( 3.229 0.000 11.885) 12.316 22.374 ( 2.268 0.000 9.972) 10.226 22.646 ( -1.484 0.000 14.153) 14.230 22.660 ( -1.283 0.000 16.118) 16.169 28.496 ( 0.390 0.000 1.237) 1.297 28.516 ( -0.129 0.000 2.254) 2.258 28.581 ( 0.233 0.000 2.286) 2.298 28.605 ( -1.050 0.000 2.441) 2.657 28.808 ( 10.183 0.000 7.469) 12.628 29.037 ( 10.818 0.000 8.495) 13.755 29.322 ( -10.758 0.000 4.008) 11.481 29.428 ( 17.343 0.000 5.950) 18.335 29.628 ( -10.088 0.000 5.589) 11.533 29.940 ( -6.158 0.000 3.216) 6.947 30.351 ( 6.143 0.000 -0.096) 6.143 30.758 ( -9.812 0.000 -1.235) 9.889 31.109 ( 2.523 0.000 0.200) 2.531 31.170 ( -0.528 0.000 -1.606) 1.690 31.350 ( 5.123 0.000 -2.401) 5.658 31.519 ( -3.848 0.000 -1.187) 4.027 31.917 ( 9.564 0.000 -7.314) 12.040 32.092 ( -0.823 0.000 -9.826) 9.860 32.267 ( 15.183 0.000 -4.200) 15.754 33.134 ( -21.299 0.000 -12.171) 24.531 ======================= Grid point 38 (16/72) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.438 0.000 19.936) 19.940 1.265 ( 0.438 0.000 19.936) 19.940 2.342 ( -9.444 0.000 19.821) 21.956 2.342 ( 9.444 0.000 19.821) 21.956 2.499 ( -5.271 0.000 13.515) 14.507 2.499 ( 5.271 0.000 13.515) 14.506 3.089 ( -1.912 0.000 10.099) 10.279 3.089 ( 1.912 0.000 10.099) 10.279 3.599 ( -6.787 0.000 -11.370) 13.242 3.599 ( 6.787 0.000 -11.370) 13.242 3.841 ( -3.937 0.000 10.854) 11.546 3.841 ( 3.937 0.000 10.854) 11.546 3.939 ( -1.262 0.000 -6.921) 7.035 3.939 ( 1.262 0.000 -6.921) 7.035 4.109 ( -7.473 0.000 -5.319) 9.172 4.109 ( 7.473 0.000 -5.319) 9.172 4.451 ( -7.857 0.000 -1.599) 8.018 4.451 ( 7.857 0.000 -1.599) 8.018 4.807 ( -0.002 0.000 2.632) 2.632 4.807 ( 0.002 0.000 2.632) 2.632 4.969 ( -8.422 0.000 -4.631) 9.611 4.969 ( 8.422 0.000 -4.631) 9.611 5.112 ( -4.527 0.000 1.332) 4.719 5.112 ( 4.527 0.000 1.332) 4.719 5.385 ( -1.295 0.000 -0.974) 1.621 5.385 ( 1.295 0.000 -0.974) 1.621 5.420 ( -0.054 0.000 3.810) 3.810 5.420 ( 0.054 0.000 3.810) 3.810 5.553 ( -3.771 0.000 -0.132) 3.773 5.553 ( 3.771 0.000 -0.132) 3.773 6.004 ( -1.336 0.000 -5.041) 5.215 6.004 ( 1.336 0.000 -5.041) 5.215 6.051 ( -1.875 0.000 -3.884) 4.313 6.051 ( 1.875 0.000 -3.884) 4.313 6.193 ( -2.154 0.000 0.858) 2.318 6.193 ( 2.154 0.000 0.858) 2.318 6.479 ( -7.725 0.000 3.195) 8.360 6.479 ( 7.725 0.000 3.195) 8.360 6.611 ( -0.001 0.000 3.581) 3.581 6.611 ( 0.001 0.000 3.581) 3.581 7.068 ( -4.208 0.000 1.435) 4.446 7.068 ( 4.208 0.000 1.435) 4.446 7.409 ( -0.210 0.000 4.135) 4.141 7.409 ( 0.210 0.000 4.135) 4.141 7.943 ( -5.811 0.000 11.405) 12.800 7.943 ( 5.811 0.000 11.405) 12.800 8.156 ( -0.877 0.000 7.060) 7.114 8.156 ( 0.877 0.000 7.060) 7.114 8.511 ( -4.828 0.000 5.901) 7.624 8.511 ( 4.828 0.000 5.901) 7.624 9.083 ( -0.070 0.000 3.834) 3.834 9.083 ( 0.070 0.000 3.834) 3.834 9.940 ( -2.527 0.000 -5.913) 6.430 9.940 ( 2.527 0.000 -5.913) 6.430 10.151 ( -1.890 0.000 -10.152) 10.326 10.151 ( 1.890 0.000 -10.152) 10.326 10.537 ( -0.901 0.000 8.892) 8.938 10.537 ( 0.901 0.000 8.892) 8.938 10.817 ( -2.227 0.000 0.759) 2.353 10.817 ( 2.227 0.000 0.759) 2.353 11.834 ( -3.233 0.000 -1.963) 3.783 11.834 ( 3.233 0.000 -1.963) 3.783 12.026 ( -0.010 0.000 4.173) 4.173 12.026 ( 0.010 0.000 4.173) 4.173 12.612 ( -0.365 0.000 4.196) 4.211 12.612 ( 0.365 0.000 4.196) 4.211 13.367 ( -4.405 0.000 -13.916) 14.596 13.367 ( 4.405 0.000 -13.916) 14.596 13.993 ( -0.334 0.000 -10.807) 10.812 13.993 ( 0.334 0.000 -10.807) 10.812 14.348 ( -1.555 0.000 -16.301) 16.376 14.348 ( 1.555 0.000 -16.301) 16.376 14.928 ( -8.733 0.000 0.048) 8.733 14.928 ( 8.733 0.000 0.048) 8.733 15.011 ( -4.059 0.000 -17.436) 17.902 15.011 ( 4.059 0.000 -17.436) 17.902 16.578 ( -14.301 0.000 18.066) 23.041 16.578 ( 14.301 0.000 18.066) 23.041 16.902 ( -9.096 0.000 17.735) 19.932 16.902 ( 9.096 0.000 17.735) 19.932 21.021 ( -7.909 0.000 -12.323) 14.643 21.021 ( 7.909 0.000 -12.323) 14.643 21.505 ( -3.816 0.000 -10.963) 11.608 21.505 ( 3.816 0.000 -10.963) 11.608 22.372 ( -0.900 0.000 14.376) 14.404 22.372 ( 0.900 0.000 14.376) 14.404 22.635 ( -0.185 0.000 13.487) 13.488 22.635 ( 0.185 0.000 13.487) 13.488 28.508 ( -0.296 0.000 1.873) 1.896 28.508 ( 0.296 0.000 1.873) 1.896 28.587 ( -0.284 0.000 1.805) 1.828 28.587 ( 0.284 0.000 1.805) 1.828 29.039 ( -11.304 0.000 5.817) 12.713 29.039 ( 11.304 0.000 5.817) 12.713 29.332 ( -12.155 0.000 6.051) 13.578 29.332 ( 12.155 0.000 6.051) 13.578 29.776 ( -10.639 0.000 4.270) 11.463 29.776 ( 10.639 0.000 4.270) 11.463 30.534 ( -10.842 0.000 -0.343) 10.847 30.534 ( 10.842 0.000 -0.343) 10.847 31.151 ( -0.395 0.000 -0.411) 0.571 31.151 ( 0.395 0.000 -0.411) 0.571 31.442 ( -2.922 0.000 -2.169) 3.639 31.442 ( 2.922 0.000 -2.169) 3.639 32.043 ( -3.123 0.000 -8.308) 8.875 32.043 ( 3.123 0.000 -8.308) 8.875 32.673 ( -22.375 0.000 -7.690) 23.659 32.673 ( 22.375 0.000 -7.690) 23.659 ======================= Grid point 42 (17/72) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 25.348 16.748) 30.381 1.044 ( 0.000 16.952 33.132) 37.217 1.392 ( 0.000 22.343 35.998) 42.368 1.814 ( 0.000 -11.149 25.794) 28.100 1.920 ( 0.000 -13.202 19.328) 23.407 2.276 ( 0.000 -1.647 0.539) 1.733 2.659 ( 0.000 -1.024 5.345) 5.442 2.952 ( 0.000 3.304 0.878) 3.418 3.309 ( 0.000 1.630 4.567) 4.849 3.404 ( 0.000 -3.075 6.623) 7.302 3.514 ( 0.000 -3.673 4.919) 6.139 3.632 ( 0.000 -18.752 1.447) 18.808 3.638 ( 0.000 3.741 3.566) 5.168 3.857 ( 0.000 -8.336 6.601) 10.633 4.085 ( 0.000 8.032 7.589) 11.050 4.290 ( 0.000 1.660 15.937) 16.023 4.372 ( 0.000 -3.384 12.276) 12.734 4.507 ( 0.000 -8.063 1.673) 8.234 4.740 ( 0.000 1.454 -5.129) 5.332 4.804 ( 0.000 -3.971 -1.191) 4.146 4.956 ( 0.000 8.126 -8.697) 11.902 5.064 ( 0.000 2.145 2.883) 3.593 5.147 ( 0.000 3.700 -0.183) 3.705 5.216 ( 0.000 -0.794 -9.265) 9.299 5.291 ( 0.000 1.287 4.574) 4.752 5.407 ( 0.000 -3.073 -8.576) 9.110 5.489 ( 0.000 7.648 -1.029) 7.717 5.530 ( 0.000 2.077 -8.109) 8.370 5.699 ( 0.000 -4.181 3.151) 5.235 5.950 ( 0.000 -1.927 -5.565) 5.890 6.046 ( 0.000 -2.162 -6.815) 7.150 6.125 ( 0.000 -5.130 -1.689) 5.401 6.236 ( 0.000 -2.975 1.323) 3.256 6.256 ( 0.000 -5.625 2.123) 6.013 6.361 ( 0.000 0.229 0.785) 0.818 6.463 ( 0.000 0.242 7.238) 7.242 6.735 ( 0.000 8.930 -5.600) 10.540 6.748 ( 0.000 4.309 4.581) 6.289 6.834 ( 0.000 3.472 2.854) 4.494 7.022 ( 0.000 -4.988 8.057) 9.476 7.210 ( 0.000 4.580 -2.338) 5.142 7.448 ( 0.000 -1.035 -8.991) 9.051 7.604 ( 0.000 2.301 -5.252) 5.734 7.710 ( 0.000 0.163 -9.632) 9.634 7.869 ( 0.000 -0.078 -0.307) 0.317 7.903 ( 0.000 0.273 -2.326) 2.342 8.044 ( 0.000 6.588 7.097) 9.684 8.221 ( 0.000 1.626 11.687) 11.800 8.371 ( 0.000 4.715 5.548) 7.281 8.624 ( 0.000 -5.786 3.651) 6.842 9.054 ( 0.000 3.252 -19.045) 19.321 9.250 ( 0.000 -3.136 -17.838) 18.111 9.698 ( 0.000 0.772 8.346) 8.381 9.728 ( 0.000 -0.126 11.681) 11.682 9.783 ( 0.000 3.329 8.540) 9.166 9.806 ( 0.000 0.466 5.455) 5.475 10.740 ( 0.000 3.898 -3.804) 5.446 10.903 ( 0.000 -3.185 -5.612) 6.452 10.932 ( 0.000 2.002 -0.107) 2.004 10.986 ( 0.000 0.211 -1.086) 1.106 11.610 ( 0.000 -0.983 9.862) 9.911 11.626 ( 0.000 -2.847 8.130) 8.614 11.822 ( 0.000 0.637 7.757) 7.783 11.871 ( 0.000 -1.100 7.487) 7.567 12.971 ( 0.000 -0.997 -5.419) 5.510 13.073 ( 0.000 -4.824 -3.303) 5.847 13.131 ( 0.000 3.919 -1.674) 4.261 13.221 ( 0.000 0.157 -1.778) 1.785 13.830 ( 0.000 0.370 -8.153) 8.161 13.850 ( 0.000 -0.349 -8.190) 8.197 14.041 ( 0.000 1.740 2.044) 2.685 14.351 ( 0.000 1.706 -13.846) 13.951 14.363 ( 0.000 -17.566 2.490) 17.742 14.438 ( 0.000 -1.935 -13.915) 14.049 15.376 ( 0.000 0.226 -15.377) 15.379 15.377 ( 0.000 0.539 -15.370) 15.379 15.859 ( 0.000 0.452 16.405) 16.412 16.058 ( 0.000 -15.218 31.840) 35.290 17.704 ( 0.000 -0.371 21.393) 21.397 17.784 ( 0.000 -8.883 26.666) 28.107 20.203 ( 0.000 3.946 -28.670) 28.940 20.241 ( 0.000 0.144 -24.114) 24.114 22.093 ( 0.000 0.147 -1.195) 1.204 22.095 ( 0.000 0.358 -1.827) 1.861 22.315 ( 0.000 0.576 5.496) 5.526 22.363 ( 0.000 -1.093 4.404) 4.537 22.687 ( 0.000 1.981 17.981) 18.090 22.732 ( 0.000 2.589 16.544) 16.745 28.499 ( 0.000 0.531 5.273) 5.299 28.530 ( 0.000 -0.609 2.287) 2.367 28.569 ( 0.000 2.084 3.985) 4.497 28.639 ( 0.000 -0.378 1.420) 1.470 28.657 ( 0.000 -0.117 -1.227) 1.233 28.689 ( 0.000 -2.865 7.160) 7.712 28.915 ( 0.000 8.309 22.686) 24.160 29.692 ( 0.000 -32.915 36.455) 49.115 29.693 ( 0.000 4.021 2.260) 4.613 30.009 ( 0.000 -17.279 13.744) 22.078 30.167 ( 0.000 -3.315 7.866) 8.536 30.234 ( 0.000 -1.116 -0.558) 1.247 31.052 ( 0.000 4.075 -3.365) 5.285 31.154 ( 0.000 4.114 1.994) 4.572 31.175 ( 0.000 -2.695 -1.785) 3.232 31.327 ( 0.000 4.131 -2.278) 4.717 31.552 ( 0.000 -3.935 -4.715) 6.142 31.555 ( 0.000 -7.438 -0.579) 7.460 33.410 ( 0.000 29.521 -42.313) 51.593 33.648 ( 0.000 2.195 -19.502) 19.625 ======================= Grid point 43 (18/72) ======================= q-point: ( 0.17 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 9.700 16.715 15.770) 24.944 1.334 ( 29.370 12.600 15.435) 35.491 1.837 ( 6.383 0.286 17.274) 18.418 1.946 ( 21.340 -1.972 15.176) 26.260 2.006 ( 13.034 0.067 17.103) 21.504 2.379 ( 11.237 -0.493 24.687) 27.128 2.646 ( 3.521 -3.115 9.316) 10.435 3.057 ( 0.769 -3.952 -0.616) 4.073 3.209 ( -1.816 2.153 0.080) 2.818 3.393 ( 0.623 -6.433 4.916) 8.120 3.504 ( -1.646 -4.325 6.680) 8.126 3.609 ( -2.795 -0.174 3.431) 4.428 3.728 ( 6.198 -1.811 0.363) 6.467 3.855 ( 9.514 -0.682 5.835) 11.181 4.137 ( 2.136 -1.538 6.405) 6.924 4.294 ( -0.814 -2.712 10.431) 10.808 4.430 ( 4.867 3.276 5.478) 8.027 4.537 ( 4.738 -5.493 7.370) 10.341 4.674 ( -4.781 -0.678 -3.729) 6.101 4.804 ( -4.446 -3.894 -6.271) 8.617 4.937 ( -2.667 2.711 -3.739) 5.333 5.045 ( -3.363 7.156 -0.260) 7.912 5.123 ( -2.421 4.082 -2.155) 5.212 5.204 ( -1.049 0.660 4.468) 4.636 5.307 ( 3.393 8.117 -0.188) 8.799 5.411 ( -4.460 -1.402 -1.563) 4.929 5.481 ( 3.877 -0.865 -6.715) 7.802 5.574 ( 3.163 2.817 -4.254) 6.003 5.699 ( 1.795 -5.886 -2.770) 6.749 5.896 ( -1.605 -4.413 -4.028) 6.187 6.023 ( -2.107 -1.835 -6.966) 7.506 6.066 ( -4.692 -1.907 1.478) 5.276 6.168 ( -2.650 -2.183 -0.207) 3.440 6.243 ( -8.927 -0.476 -4.111) 9.840 6.289 ( -4.161 -4.849 1.593) 6.585 6.423 ( -3.742 -5.279 2.635) 6.986 6.573 ( -7.970 9.566 2.749) 12.751 6.768 ( -2.145 3.731 3.911) 5.815 6.884 ( -1.872 4.598 2.305) 5.474 7.046 ( -5.653 3.425 -0.293) 6.616 7.177 ( -11.816 1.983 -3.966) 12.620 7.216 ( -10.459 1.213 -2.637) 10.855 7.356 ( -10.366 -1.033 -2.847) 10.799 7.478 ( -5.662 0.819 -0.364) 5.733 7.833 ( 1.132 5.403 12.160) 13.355 8.042 ( 2.235 -1.470 7.062) 7.551 8.090 ( 0.464 2.083 4.672) 5.136 8.289 ( 3.025 -1.489 4.752) 5.827 8.322 ( -2.670 4.909 5.750) 8.018 8.608 ( -1.585 -5.437 3.588) 6.704 9.175 ( 7.298 0.974 -13.000) 14.940 9.291 ( -1.431 -2.748 -10.605) 11.049 9.498 ( 3.233 -0.276 0.188) 3.250 9.620 ( -5.483 3.657 4.573) 8.022 10.001 ( 9.604 -0.539 4.926) 10.807 10.057 ( 11.941 0.168 6.577) 13.633 10.662 ( -5.369 1.829 -1.769) 5.941 10.817 ( -6.638 0.974 0.824) 6.760 10.948 ( -0.880 0.726 -5.175) 5.300 11.014 ( -0.891 -0.322 0.516) 1.079 11.535 ( -0.706 -1.584 7.449) 7.649 11.677 ( 2.067 1.698 9.850) 10.207 11.847 ( 6.035 0.906 6.265) 8.747 11.947 ( 7.434 -2.050 5.774) 9.634 12.788 ( -11.883 0.268 -2.607) 12.169 12.923 ( -11.243 -2.462 -0.780) 11.536 13.344 ( 10.277 -0.719 -10.506) 14.714 13.374 ( 7.699 -0.405 -7.903) 11.040 13.750 ( -1.418 0.457 -7.200) 7.352 13.808 ( -0.497 -1.254 -7.082) 7.209 14.213 ( 9.348 -0.466 -9.039) 13.012 14.264 ( 2.902 0.123 -14.072) 14.368 14.518 ( 7.338 -0.268 -8.933) 11.564 14.684 ( 12.646 -9.709 -8.792) 18.207 15.316 ( -5.219 0.382 -14.142) 15.079 15.327 ( -5.079 0.190 -14.189) 15.072 15.945 ( 8.688 0.584 17.334) 19.399 16.143 ( 8.738 -12.299 29.753) 33.359 17.527 ( -15.849 -2.401 20.401) 25.946 17.596 ( -15.875 -1.678 22.345) 27.461 20.309 ( 12.864 2.622 -23.004) 26.487 20.441 ( 15.314 -0.075 -20.406) 25.514 22.032 ( -9.792 -0.422 -2.278) 10.062 22.069 ( -6.313 0.302 -2.856) 6.936 22.264 ( -1.443 -0.363 6.285) 6.459 22.311 ( -0.297 -0.468 4.890) 4.921 22.677 ( -0.676 1.424 17.441) 17.512 22.720 ( -1.623 1.830 16.736) 16.914 28.495 ( -0.356 -0.084 2.017) 2.050 28.521 ( -0.479 -0.212 1.736) 1.813 28.576 ( 1.010 1.567 5.488) 5.796 28.626 ( -1.122 -0.179 2.592) 2.830 28.674 ( 3.808 0.929 4.980) 6.338 28.780 ( 7.567 -3.812 8.175) 11.774 29.140 ( 19.091 10.300 15.666) 26.758 29.568 ( -7.733 3.043 4.229) 9.324 29.762 ( -6.049 -7.447 5.057) 10.845 30.036 ( -0.595 -7.057 6.131) 9.367 30.249 ( 2.786 -2.925 0.728) 4.104 30.377 ( 18.762 -31.322 15.225) 39.558 31.046 ( -0.458 5.072 -3.371) 6.108 31.161 ( 1.204 2.097 1.437) 2.813 31.212 ( 3.124 -1.514 -2.402) 4.221 31.422 ( 5.737 -2.046 -1.910) 6.383 31.571 ( 5.124 -4.666 -0.542) 6.951 31.657 ( 9.036 -4.331 -5.379) 11.373 33.118 ( -21.542 30.211 -26.228) 45.439 33.503 ( -14.236 0.261 -17.875) 22.853 ======================= Grid point 44 (19/72) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 7.279 7.136 16.820) 19.668 1.565 ( -11.961 5.353 13.882) 19.090 1.992 ( 27.133 9.014 19.083) 34.374 2.281 ( -0.660 -5.691 9.086) 10.742 2.446 ( 8.145 -7.314 11.478) 15.861 2.634 ( 17.664 -5.729 6.455) 19.660 2.737 ( 4.011 -0.697 14.835) 15.383 2.943 ( 4.631 4.221 14.392) 15.697 3.314 ( 6.444 -5.607 4.000) 9.432 3.426 ( 2.565 -2.476 1.712) 3.955 3.632 ( 13.804 2.720 5.428) 15.080 3.778 ( 15.078 -1.643 1.022) 15.201 3.855 ( 6.682 0.093 3.393) 7.494 4.070 ( 4.361 2.223 -5.338) 7.242 4.154 ( -1.409 -3.615 2.741) 4.751 4.272 ( -0.794 -2.931 -5.746) 6.499 4.467 ( -5.596 4.226 -3.509) 7.842 4.576 ( -0.246 2.897 -3.992) 4.939 4.657 ( 1.105 -0.918 -0.165) 1.446 4.707 ( 7.140 -1.623 5.061) 8.901 4.921 ( -3.659 3.467 0.390) 5.056 4.927 ( -0.816 1.488 4.038) 4.380 5.061 ( -0.586 2.389 4.804) 5.398 5.214 ( -3.160 2.588 1.727) 4.435 5.302 ( -0.483 2.350 2.365) 3.369 5.346 ( -0.158 -2.710 -1.364) 3.038 5.517 ( -0.974 4.107 -3.883) 5.736 5.624 ( -1.713 -2.492 -7.301) 7.902 5.779 ( -9.236 -4.060 -3.147) 10.568 5.826 ( -3.890 -7.246 -4.680) 9.462 5.902 ( -12.346 -1.132 -2.871) 12.726 5.948 ( -0.945 -0.994 -6.990) 7.123 6.063 ( -2.387 -1.169 -4.094) 4.881 6.123 ( -1.503 -0.845 -3.746) 4.124 6.228 ( -2.021 2.101 2.000) 3.536 6.297 ( -8.970 -1.529 -0.553) 9.116 6.465 ( -2.027 2.832 4.269) 5.510 6.536 ( -17.227 -2.362 4.504) 17.962 6.640 ( -7.813 0.856 2.172) 8.155 6.777 ( -10.209 0.714 1.499) 10.343 7.093 ( 4.268 8.893 0.883) 9.903 7.224 ( -0.700 5.951 1.082) 6.088 7.336 ( 2.401 -1.916 5.552) 6.345 7.419 ( -1.156 0.172 1.373) 1.803 7.881 ( 3.332 4.062 12.626) 13.676 8.037 ( -1.615 -1.009 11.259) 11.419 8.111 ( 0.441 -0.960 5.012) 5.122 8.218 ( -3.280 0.737 6.057) 6.927 8.372 ( 3.716 -1.594 5.500) 6.827 8.561 ( -2.837 -4.152 5.992) 7.822 9.082 ( -8.135 -2.879 0.863) 8.672 9.236 ( -6.811 1.816 3.584) 7.907 9.713 ( 14.750 0.320 -8.681) 17.118 9.769 ( 14.772 0.580 -9.165) 17.394 10.135 ( 3.297 -0.037 -1.278) 3.536 10.195 ( 1.576 0.935 0.361) 1.868 10.553 ( -4.900 -0.283 1.802) 5.229 10.673 ( -6.660 1.565 4.591) 8.239 10.869 ( -5.010 1.569 -0.885) 5.324 10.923 ( -6.424 -0.292 1.823) 6.684 11.642 ( 9.300 -0.469 0.287) 9.316 11.776 ( 7.570 1.673 4.827) 9.132 11.989 ( 4.645 -0.196 3.091) 5.583 12.077 ( 1.784 -0.840 4.318) 4.747 12.612 ( -3.883 0.162 1.593) 4.201 12.712 ( -6.898 0.558 2.205) 7.264 13.340 ( -4.219 -0.905 -11.255) 12.054 13.429 ( -4.018 -4.026 -14.391) 15.474 13.873 ( 9.361 -0.073 -9.822) 13.569 13.897 ( 7.873 0.115 -8.853) 11.848 14.312 ( 2.547 0.408 -17.402) 17.592 14.367 ( 2.251 -0.190 -16.439) 16.593 14.704 ( 10.760 1.213 -3.452) 11.365 14.843 ( 5.436 -3.826 -8.179) 10.540 15.172 ( -8.801 0.228 -12.800) 15.536 15.180 ( -8.885 0.244 -11.768) 14.747 16.218 ( 17.529 1.223 18.093) 25.222 16.400 ( 15.339 -7.022 23.263) 28.736 17.134 ( -21.046 -0.909 17.994) 27.705 17.219 ( -19.687 -1.062 17.814) 26.572 20.674 ( 20.742 1.700 -16.978) 26.859 20.804 ( 18.596 -0.985 -14.588) 23.655 21.716 ( -18.247 -0.274 -6.996) 19.544 21.813 ( -16.327 0.787 -7.462) 17.969 22.282 ( 2.715 -1.362 11.700) 12.088 22.380 ( 3.928 0.187 9.486) 10.269 22.646 ( -2.294 0.680 15.380) 15.565 22.677 ( -2.024 0.598 15.583) 15.725 28.496 ( 0.371 0.094 1.373) 1.425 28.520 ( 0.210 0.158 1.987) 2.004 28.578 ( -0.399 -0.069 2.317) 2.352 28.603 ( -0.964 -0.190 2.422) 2.614 28.828 ( 10.195 1.901 7.430) 12.758 28.975 ( 10.816 -4.513 7.978) 14.177 29.345 ( -9.682 2.500 4.289) 10.880 29.509 ( -3.873 -0.028 3.801) 5.427 29.628 ( 8.891 7.130 8.199) 14.040 29.983 ( -3.834 2.248 3.112) 5.426 30.331 ( 6.087 -1.933 0.691) 6.424 30.610 ( 1.428 -16.354 4.038) 16.905 31.060 ( 2.284 0.730 -2.117) 3.199 31.185 ( 0.617 1.290 0.175) 1.441 31.294 ( 4.299 -3.236 -3.063) 6.191 31.435 ( -1.982 -6.310 -0.755) 6.657 31.822 ( 13.698 -4.624 -4.752) 15.218 31.890 ( 13.100 -3.407 -6.086) 14.841 32.735 ( -13.056 20.724 -12.735) 27.607 33.123 ( -21.125 -1.509 -12.542) 24.614 ======================= Grid point 45 (20/72) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 6.963 17.127) 18.489 1.423 ( 0.000 10.941 18.815) 21.765 2.213 ( 0.000 -11.927 9.925) 15.517 2.354 ( 0.000 -3.564 14.939) 15.358 2.505 ( 0.000 0.573 17.495) 17.504 2.536 ( -0.000 8.946 19.624) 21.567 2.922 ( 0.000 -8.535 12.627) 15.241 3.090 ( 0.000 -6.325 16.661) 17.821 3.551 ( 0.000 -2.366 -13.099) 13.311 3.560 ( 0.000 -2.040 -7.884) 8.143 3.786 ( -0.000 -4.647 -5.077) 6.882 3.904 ( 0.000 3.386 9.256) 9.856 3.919 ( -0.000 1.528 -1.607) 2.217 4.027 ( 0.000 3.601 2.526) 4.399 4.044 ( -0.000 -2.802 -2.893) 4.028 4.185 ( 0.000 3.491 -4.429) 5.640 4.461 ( 0.000 4.986 -4.609) 6.790 4.576 ( 0.000 6.524 -3.005) 7.183 4.784 ( 0.000 -0.728 -1.331) 1.517 4.855 ( 0.000 -2.657 1.967) 3.306 4.915 ( 0.000 3.452 -1.622) 3.814 4.969 ( 0.000 -0.613 -1.086) 1.247 5.112 ( -0.000 -0.055 3.840) 3.840 5.138 ( 0.000 -0.610 -1.305) 1.441 5.321 ( -0.000 -3.293 3.262) 4.635 5.424 ( 0.000 0.789 -9.436) 9.469 5.425 ( -0.000 0.813 4.410) 4.484 5.452 ( -0.000 0.657 4.311) 4.361 5.506 ( -0.000 -1.622 4.059) 4.371 5.604 ( 0.000 4.593 -4.445) 6.392 5.928 ( 0.000 -7.163 -6.552) 9.707 5.958 ( 0.000 -5.286 -3.471) 6.324 6.032 ( -0.000 2.299 -3.784) 4.427 6.093 ( 0.000 1.461 -2.519) 2.912 6.163 ( -0.000 0.450 -3.183) 3.215 6.201 ( -0.000 -1.668 -0.509) 1.744 6.423 ( 0.000 -2.321 2.085) 3.120 6.490 ( 0.000 0.615 4.591) 4.632 6.596 ( 0.000 -0.661 4.245) 4.296 6.631 ( 0.000 -0.022 5.016) 5.016 7.166 ( -0.000 8.108 2.873) 8.602 7.179 ( 0.000 7.874 0.170) 7.875 7.377 ( -0.000 -2.188 2.931) 3.657 7.401 ( 0.000 -1.641 4.617) 4.900 7.963 ( -0.000 1.740 11.855) 11.982 7.964 ( 0.000 1.437 11.547) 11.636 8.121 ( 0.000 -2.206 4.661) 5.157 8.188 ( -0.000 2.019 7.938) 8.191 8.438 ( 0.000 -4.060 5.238) 6.628 8.512 ( 0.000 -1.642 8.647) 8.802 8.993 ( -0.000 -3.624 1.277) 3.842 9.138 ( -0.000 1.029 6.204) 6.289 9.953 ( 0.000 0.926 -4.688) 4.778 9.957 ( -0.000 1.206 -7.357) 7.455 10.149 ( 0.000 -0.124 -10.194) 10.195 10.153 ( 0.000 0.081 -10.646) 10.646 10.496 ( 0.000 -1.314 7.866) 7.975 10.594 ( -0.000 2.511 10.244) 10.547 10.818 ( 0.000 0.588 0.305) 0.662 10.831 ( -0.000 0.588 0.771) 0.969 11.797 ( 0.000 -1.114 -3.860) 4.018 11.893 ( -0.000 3.099 -0.093) 3.101 12.001 ( 0.000 -1.628 2.256) 2.782 12.035 ( -0.000 0.182 6.372) 6.375 12.587 ( 0.000 -0.508 4.420) 4.449 12.669 ( 0.000 3.133 5.211) 6.081 13.308 ( -0.000 -3.845 -14.778) 15.270 13.337 ( 0.000 -3.034 -13.617) 13.951 13.992 ( 0.000 0.091 -10.982) 10.983 14.000 ( -0.000 0.310 -10.430) 10.435 14.332 ( -0.000 -0.552 -17.027) 17.036 14.365 ( 0.000 0.654 -15.700) 15.714 14.905 ( 0.000 -0.745 1.818) 1.964 14.961 ( -0.000 1.575 0.148) 1.582 14.987 ( 0.000 -1.054 -19.686) 19.714 15.023 ( -0.000 0.067 -16.646) 16.646 16.583 ( 0.000 0.498 18.864) 18.870 16.593 ( -0.000 1.261 18.752) 18.795 16.841 ( 0.000 -4.292 17.258) 17.784 16.875 ( -0.000 -2.528 16.892) 17.080 21.018 ( 0.000 0.095 -12.565) 12.565 21.034 ( -0.000 0.752 -11.842) 11.866 21.443 ( -0.000 -2.389 -10.645) 10.909 21.563 ( -0.000 2.045 -11.130) 11.316 22.320 ( 0.000 -1.903 14.390) 14.515 22.427 ( 0.000 2.092 13.852) 14.009 22.613 ( 0.000 -0.775 12.991) 13.015 22.653 ( 0.000 0.525 14.235) 14.244 28.501 ( 0.000 -0.095 1.717) 1.719 28.523 ( 0.000 0.768 2.340) 2.463 28.573 ( -0.000 -0.742 1.278) 1.478 28.592 ( 0.000 -0.067 1.976) 1.977 29.039 ( 0.000 0.418 5.754) 5.769 29.061 ( -0.000 1.534 6.194) 6.381 29.271 ( -0.000 -3.526 5.496) 6.530 29.293 ( 0.000 -3.554 6.320) 7.250 29.858 ( 0.000 7.195 3.526) 8.012 29.880 ( -0.000 7.189 4.274) 8.364 30.473 ( -0.000 -4.753 0.367) 4.767 30.532 ( 0.000 -1.360 2.089) 2.493 31.098 ( -0.000 -1.341 -2.577) 2.905 31.187 ( 0.000 0.819 0.789) 1.137 31.356 ( -0.000 -5.234 -3.365) 6.223 31.397 ( 0.000 -5.113 -0.698) 5.161 32.005 ( -0.000 -1.130 -8.394) 8.470 32.036 ( -0.000 -1.290 -6.638) 6.762 32.698 ( -0.000 2.715 -10.081) 10.441 32.760 ( 0.000 4.830 -7.469) 8.895 ======================= Grid point 49 (21/72) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 -4.785 21.880) 22.397 1.391 ( 0.000 4.785 21.880) 22.397 1.545 ( 0.000 -13.357 16.723) 21.402 1.545 ( 0.000 13.357 16.723) 21.402 1.954 ( 0.000 -22.479 15.533) 27.323 1.954 ( 0.000 22.479 15.533) 27.323 2.920 ( 0.000 -13.958 7.921) 16.049 2.920 ( 0.000 13.958 7.921) 16.049 3.234 ( 0.000 -1.568 4.104) 4.393 3.234 ( 0.000 1.568 4.104) 4.393 3.492 ( 0.000 -4.469 3.380) 5.603 3.492 ( 0.000 4.469 3.380) 5.603 3.713 ( 0.000 -4.875 7.139) 8.645 3.713 ( 0.000 4.875 7.139) 8.645 4.289 ( 0.000 -6.666 15.818) 17.165 4.289 ( 0.000 6.666 15.818) 17.165 4.334 ( 0.000 -5.815 1.525) 6.012 4.334 ( 0.000 5.815 1.525) 6.012 4.750 ( 0.000 -0.372 -3.184) 3.206 4.750 ( 0.000 0.372 -3.184) 3.206 5.102 ( 0.000 -1.680 -3.252) 3.660 5.102 ( 0.000 1.680 -3.252) 3.660 5.146 ( 0.000 -1.430 -1.318) 1.944 5.146 ( 0.000 1.430 -1.318) 1.944 5.362 ( 0.000 -2.407 -5.680) 6.169 5.362 ( 0.000 2.407 -5.680) 6.169 5.575 ( 0.000 -0.503 -3.188) 3.227 5.575 ( 0.000 0.503 -3.188) 3.227 5.798 ( 0.000 -10.679 -7.041) 12.792 5.798 ( 0.000 10.679 -7.041) 12.792 6.031 ( 0.000 -1.323 -1.787) 2.224 6.031 ( 0.000 1.323 -1.787) 2.224 6.211 ( 0.000 -0.202 0.635) 0.666 6.211 ( 0.000 0.202 0.635) 0.666 6.404 ( 0.000 -3.505 3.721) 5.112 6.404 ( 0.000 3.505 3.721) 5.112 6.828 ( 0.000 -0.329 0.407) 0.523 6.828 ( 0.000 0.329 0.407) 0.523 6.923 ( 0.000 -4.200 4.864) 6.426 6.923 ( 0.000 4.200 4.864) 6.426 7.336 ( 0.000 -7.254 -2.864) 7.799 7.336 ( 0.000 7.254 -2.864) 7.799 7.658 ( 0.000 -1.267 -9.386) 9.471 7.658 ( 0.000 1.267 -9.386) 9.471 7.897 ( 0.000 -0.877 -1.850) 2.047 7.897 ( 0.000 0.877 -1.850) 2.047 8.175 ( 0.000 -4.469 11.050) 11.920 8.175 ( 0.000 4.469 11.050) 11.920 8.486 ( 0.000 -6.562 4.581) 8.003 8.486 ( 0.000 6.562 4.581) 8.003 9.157 ( 0.000 -5.071 -19.004) 19.669 9.157 ( 0.000 5.071 -19.004) 19.669 9.718 ( 0.000 -0.085 8.514) 8.515 9.718 ( 0.000 0.085 8.514) 8.515 9.814 ( 0.000 -0.000 9.060) 9.060 9.814 ( 0.000 0.000 9.060) 9.060 10.827 ( 0.000 -3.062 -7.082) 7.716 10.827 ( 0.000 3.062 -7.082) 7.716 10.971 ( 0.000 -0.823 -0.053) 0.825 10.971 ( 0.000 0.823 -0.053) 0.825 11.595 ( 0.000 -0.001 10.477) 10.477 11.595 ( 0.000 0.001 10.477) 10.477 11.844 ( 0.000 -1.318 8.153) 8.259 11.844 ( 0.000 1.318 8.153) 8.259 12.989 ( 0.000 -2.052 -5.267) 5.652 12.989 ( 0.000 2.052 -5.267) 5.652 13.198 ( 0.000 -2.216 -1.462) 2.655 13.198 ( 0.000 2.216 -1.462) 2.655 13.840 ( 0.000 -0.341 -8.066) 8.073 13.840 ( 0.000 0.341 -8.066) 8.073 14.117 ( 0.000 -6.052 5.524) 8.194 14.117 ( 0.000 6.052 5.524) 8.194 14.395 ( 0.000 -2.271 -14.223) 14.403 14.395 ( 0.000 2.271 -14.223) 14.403 15.380 ( 0.000 -0.072 -15.661) 15.661 15.380 ( 0.000 0.072 -15.661) 15.661 15.890 ( 0.000 -3.258 20.665) 20.920 15.890 ( 0.000 3.258 20.665) 20.920 17.705 ( 0.000 -0.479 23.009) 23.014 17.705 ( 0.000 0.479 23.009) 23.014 20.240 ( 0.000 -0.113 -26.149) 26.149 20.240 ( 0.000 0.113 -26.149) 26.149 22.097 ( 0.000 -0.055 -1.391) 1.392 22.097 ( 0.000 0.055 -1.391) 1.392 22.337 ( 0.000 -1.183 4.829) 4.972 22.337 ( 0.000 1.183 4.829) 4.972 22.731 ( 0.000 -1.642 17.893) 17.968 22.731 ( 0.000 1.642 17.893) 17.968 28.514 ( 0.000 -0.733 2.915) 3.006 28.514 ( 0.000 0.733 2.915) 3.006 28.614 ( 0.000 -1.857 5.703) 5.997 28.614 ( 0.000 1.857 5.703) 5.997 28.657 ( 0.000 -0.347 -0.187) 0.395 28.657 ( 0.000 0.347 -0.187) 0.395 29.158 ( 0.000 -16.387 33.969) 37.715 29.158 ( 0.000 16.387 33.969) 37.715 29.809 ( 0.000 -6.850 2.905) 7.441 29.809 ( 0.000 6.850 2.905) 7.441 30.199 ( 0.000 -2.176 1.015) 2.401 30.199 ( 0.000 2.176 1.015) 2.401 31.117 ( 0.000 -2.693 -2.266) 3.519 31.117 ( 0.000 2.693 -2.266) 3.519 31.327 ( 0.000 -9.008 -0.710) 9.036 31.327 ( 0.000 9.008 -0.710) 9.036 31.459 ( 0.000 -3.711 -2.994) 4.768 31.459 ( 0.000 3.711 -2.994) 4.768 33.665 ( 0.000 -2.196 -26.344) 26.436 33.665 ( 0.000 2.196 -26.344) 26.436 ======================= Grid point 51 (22/72) ======================= q-point: ( 0.17 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 9.104 0.000 8.684) 12.581 1.494 ( -2.622 -0.000 5.427) 6.027 1.646 ( 15.287 0.000 8.148) 17.323 1.762 ( 22.173 -0.000 13.625) 26.025 2.233 ( 23.571 -0.000 30.000) 38.152 2.305 ( 21.190 0.000 29.113) 36.008 2.801 ( -13.582 0.000 6.847) 15.210 2.839 ( -2.716 -0.000 7.932) 8.384 3.157 ( 1.948 0.000 -3.237) 3.778 3.359 ( 7.484 0.000 2.239) 7.812 3.476 ( 2.026 0.000 1.543) 2.547 3.621 ( -2.109 0.000 6.856) 7.173 3.692 ( 8.855 0.000 8.256) 12.107 3.822 ( 9.868 0.000 8.202) 12.831 4.188 ( -3.088 0.000 3.206) 4.451 4.219 ( -3.125 -0.000 6.672) 7.368 4.462 ( 8.105 0.000 7.146) 10.806 4.465 ( 6.770 -0.000 6.384) 9.305 4.691 ( -2.997 0.000 -4.214) 5.171 4.756 ( -3.751 0.000 -4.990) 6.242 4.964 ( -5.845 0.000 4.018) 7.093 5.078 ( -4.768 0.000 2.689) 5.474 5.150 ( 3.340 0.000 -2.730) 4.314 5.311 ( 3.723 0.000 -10.016) 10.685 5.366 ( -9.081 0.000 -0.739) 9.111 5.391 ( 1.402 0.000 -6.051) 6.211 5.465 ( 10.993 0.000 -0.069) 10.993 5.626 ( 0.738 0.000 -4.993) 5.048 5.731 ( -4.789 0.000 -8.449) 9.712 5.775 ( -7.667 0.000 -6.152) 9.830 5.994 ( 0.275 0.000 -2.775) 2.789 6.050 ( -3.396 0.000 3.486) 4.867 6.122 ( -7.041 0.000 -1.333) 7.166 6.211 ( -5.405 0.000 0.903) 5.480 6.259 ( -0.136 0.000 -2.669) 2.673 6.348 ( -4.522 0.000 0.775) 4.588 6.701 ( -7.144 0.000 3.760) 8.073 6.780 ( -7.070 0.000 9.196) 11.600 6.962 ( -7.503 0.000 -2.887) 8.040 7.073 ( 2.958 0.000 2.270) 3.729 7.223 ( -11.299 -0.000 -6.052) 12.818 7.240 ( -15.672 0.000 -6.331) 16.902 7.359 ( 0.014 -0.000 -1.552) 1.552 7.432 ( -7.716 0.000 -0.378) 7.726 7.952 ( 0.492 0.000 9.684) 9.697 7.967 ( 3.092 0.000 10.125) 10.587 8.143 ( 0.461 0.000 4.851) 4.872 8.248 ( -4.450 0.000 4.850) 6.583 8.441 ( -3.273 0.000 4.891) 5.885 8.491 ( 0.662 0.000 3.752) 3.810 9.199 ( 8.730 0.000 -15.477) 17.769 9.246 ( -3.968 0.000 -9.028) 9.862 9.499 ( 4.602 0.000 -0.820) 4.674 9.660 ( -6.894 0.000 5.895) 9.071 9.996 ( 9.276 0.000 5.510) 10.789 10.057 ( 12.565 0.000 7.385) 14.575 10.686 ( -6.656 0.000 -4.413) 7.986 10.828 ( -6.371 0.000 1.463) 6.536 10.959 ( 1.062 0.000 -5.578) 5.678 11.008 ( -1.735 0.000 0.376) 1.775 11.518 ( 0.501 0.000 6.448) 6.468 11.695 ( 3.156 0.000 10.880) 11.329 11.884 ( 4.829 -0.000 7.398) 8.835 11.897 ( 7.603 0.000 5.982) 9.675 12.792 ( -11.005 0.000 -2.894) 11.379 12.888 ( -9.650 0.000 -1.271) 9.733 13.337 ( 6.526 0.000 -8.355) 10.602 13.366 ( 8.444 0.000 -7.758) 11.467 13.760 ( -2.588 0.000 -6.981) 7.445 13.787 ( 0.373 0.000 -6.527) 6.538 14.207 ( 7.985 0.000 -9.926) 12.739 14.265 ( 6.413 0.000 -11.935) 13.549 14.517 ( 10.539 0.000 -7.275) 12.806 14.569 ( 12.383 0.000 -4.521) 13.182 15.323 ( -5.064 0.000 -14.185) 15.062 15.327 ( -5.333 0.000 -14.723) 15.659 15.978 ( 9.127 -0.000 21.544) 23.398 15.986 ( 9.737 0.000 21.729) 23.811 17.502 ( -15.546 0.000 19.646) 25.053 17.580 ( -14.058 0.000 21.607) 25.778 20.337 ( 12.624 0.000 -23.269) 26.473 20.440 ( 14.663 0.000 -21.267) 25.832 22.029 ( -10.198 0.000 -2.023) 10.397 22.070 ( -4.838 0.000 -2.492) 5.443 22.270 ( -4.774 0.000 6.364) 7.955 22.297 ( 1.505 0.000 5.042) 5.262 22.702 ( -1.052 0.000 17.435) 17.466 22.730 ( -2.019 0.000 17.357) 17.474 28.497 ( -0.323 0.000 1.843) 1.871 28.514 ( -0.266 0.000 1.488) 1.512 28.596 ( -0.586 0.000 4.730) 4.766 28.622 ( -1.138 0.000 2.520) 2.766 28.708 ( 6.054 -0.000 7.734) 9.822 28.714 ( 6.104 0.000 5.235) 8.041 29.403 ( 15.690 -0.000 16.922) 23.077 29.455 ( 20.981 0.000 21.022) 29.700 29.702 ( -7.042 -0.000 3.089) 7.690 29.769 ( -1.537 0.000 7.021) 7.187 30.211 ( 1.397 0.000 1.544) 2.082 30.228 ( 3.250 -0.000 2.506) 4.104 31.117 ( 0.629 0.000 -3.671) 3.725 31.167 ( 3.139 0.000 -1.837) 3.636 31.304 ( -1.865 0.000 -0.615) 1.964 31.317 ( -0.687 0.000 -0.534) 0.870 31.560 ( 9.815 -0.000 -3.719) 10.496 31.570 ( 9.853 0.000 -3.218) 10.365 33.437 ( -19.180 0.000 -22.084) 29.250 33.471 ( -17.738 0.000 -20.793) 27.331 ======================= Grid point 53 (23/72) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -1.878 0.000 12.352) 12.494 1.484 ( 4.060 -0.000 11.308) 12.015 2.172 ( 24.078 0.000 10.634) 26.321 2.206 ( 0.074 0.000 16.474) 16.474 2.423 ( 14.126 0.000 9.100) 16.803 2.442 ( -9.551 -0.000 7.151) 11.931 2.719 ( 9.452 0.000 18.276) 20.575 3.012 ( 13.072 0.000 24.267) 27.564 3.241 ( 6.347 0.000 -8.407) 10.533 3.387 ( -3.856 0.000 7.900) 8.791 3.663 ( 18.034 0.000 4.261) 18.530 3.752 ( 14.955 0.000 -0.131) 14.955 3.927 ( 9.639 0.000 3.522) 10.262 3.996 ( -2.528 0.000 4.341) 5.024 4.172 ( 1.053 0.000 -2.005) 2.265 4.211 ( 5.223 -0.000 -6.711) 8.504 4.526 ( -4.182 0.000 -3.761) 5.625 4.624 ( 0.073 0.000 0.609) 0.613 4.650 ( 2.079 -0.000 -2.002) 2.886 4.690 ( 11.585 0.000 0.597) 11.601 4.912 ( -0.500 0.000 9.738) 9.750 4.947 ( -5.546 0.000 2.654) 6.148 5.150 ( -2.455 -0.000 2.512) 3.512 5.190 ( -4.939 0.000 1.708) 5.226 5.291 ( -7.861 0.000 -4.308) 8.964 5.409 ( -1.256 0.000 -7.942) 8.041 5.592 ( -3.711 -0.000 -3.335) 4.989 5.592 ( -6.169 0.000 -1.224) 6.289 5.679 ( 2.152 0.000 -6.928) 7.255 5.750 ( 10.077 0.000 -2.681) 10.427 5.898 ( -14.127 -0.000 -2.501) 14.346 5.918 ( -13.615 0.000 -5.970) 14.867 6.038 ( 3.720 0.000 -2.373) 4.412 6.108 ( -2.653 0.000 -5.862) 6.434 6.258 ( -3.464 0.000 -0.502) 3.500 6.284 ( -3.798 0.000 0.771) 3.876 6.489 ( -14.604 0.000 5.261) 15.523 6.493 ( -10.255 -0.000 2.792) 10.628 6.713 ( -6.548 0.000 4.704) 8.062 6.741 ( -13.648 0.000 -0.650) 13.663 7.248 ( 3.727 0.000 2.604) 4.547 7.255 ( 4.680 -0.000 3.436) 5.806 7.365 ( -2.850 -0.000 0.451) 2.886 7.373 ( -0.429 0.000 0.660) 0.787 7.969 ( 1.202 0.000 10.575) 10.643 7.986 ( 0.233 -0.000 13.591) 13.593 8.125 ( -4.679 0.000 4.681) 6.618 8.188 ( 3.269 -0.000 6.382) 7.171 8.382 ( -1.379 0.000 4.837) 5.029 8.490 ( -0.570 0.000 7.877) 7.897 9.054 ( -9.078 0.000 0.093) 9.079 9.251 ( -6.782 0.000 3.487) 7.626 9.718 ( 14.279 0.000 -7.677) 16.212 9.775 ( 15.070 0.000 -9.678) 17.910 10.136 ( 3.712 0.000 -1.108) 3.874 10.206 ( 1.689 0.000 0.402) 1.736 10.551 ( -6.063 0.000 0.092) 6.064 10.692 ( -6.123 0.000 5.461) 8.205 10.895 ( -5.310 0.000 -0.246) 5.316 10.916 ( -6.003 0.000 1.097) 6.103 11.637 ( 9.336 0.000 -1.196) 9.413 11.799 ( 7.840 0.000 6.321) 10.071 11.989 ( 2.408 0.000 2.797) 3.691 12.063 ( 4.414 0.000 5.414) 6.985 12.613 ( -4.974 0.000 1.308) 5.143 12.722 ( -4.242 0.000 2.449) 4.898 13.350 ( -3.692 -0.000 -12.718) 13.243 13.352 ( -6.536 0.000 -12.100) 13.752 13.872 ( 9.568 0.000 -10.011) 13.848 13.898 ( 8.157 0.000 -8.668) 11.902 14.319 ( 2.352 0.000 -17.373) 17.532 14.363 ( 2.424 0.000 -16.684) 16.859 14.734 ( 10.026 0.000 -3.541) 10.632 14.780 ( 8.949 0.000 -5.829) 10.679 15.177 ( -8.928 0.000 -13.419) 16.118 15.180 ( -8.745 0.000 -11.298) 14.287 16.263 ( 17.776 0.000 20.735) 27.312 16.283 ( 18.323 -0.000 20.716) 27.657 17.128 ( -20.050 0.000 16.871) 26.204 17.201 ( -21.168 0.000 18.240) 27.942 20.697 ( 20.650 0.000 -16.990) 26.741 20.789 ( 18.057 0.000 -15.275) 23.652 21.714 ( -18.526 0.000 -6.323) 19.575 21.822 ( -16.203 0.000 -7.337) 17.786 22.267 ( 2.408 0.000 11.406) 11.658 22.381 ( 5.027 0.000 9.220) 10.501 22.663 ( -3.984 0.000 15.608) 16.109 22.676 ( -1.458 0.000 15.897) 15.964 28.498 ( 0.226 0.000 1.580) 1.596 28.520 ( 0.724 0.000 1.561) 1.720 28.579 ( -1.035 0.000 2.525) 2.729 28.599 ( -0.905 0.000 2.298) 2.470 28.880 ( 10.096 -0.000 7.707) 12.701 28.892 ( 10.759 0.000 7.376) 13.045 29.412 ( -9.665 -0.000 4.281) 10.570 29.437 ( -12.158 0.000 4.290) 12.892 29.886 ( 11.162 0.000 6.743) 13.041 29.903 ( 7.334 0.000 5.896) 9.410 30.290 ( 6.914 0.000 2.656) 7.406 30.370 ( 10.107 0.000 5.630) 11.570 31.115 ( -1.010 0.000 -4.181) 4.301 31.210 ( 0.027 -0.000 -0.645) 0.646 31.274 ( -0.039 0.000 -2.051) 2.052 31.314 ( 0.452 0.000 -0.627) 0.772 31.821 ( 13.228 0.000 -5.178) 14.205 31.821 ( 14.277 -0.000 -4.901) 15.095 32.999 ( -20.872 0.000 -14.841) 25.610 33.060 ( -19.552 0.000 -12.286) 23.092 ======================= Grid point 55 (24/72) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 0.000 14.624) 14.624 1.590 ( 0.000 0.000 17.756) 17.756 2.030 ( 0.000 0.000 8.402) 8.402 2.237 ( 0.000 0.000 11.287) 11.287 2.560 ( 0.000 -0.000 12.580) 12.580 2.730 ( -0.000 0.000 17.282) 17.282 2.807 ( 0.000 0.000 22.829) 22.829 2.921 ( -0.000 0.000 21.859) 21.859 3.524 ( 0.000 0.000 -13.883) 13.883 3.549 ( 0.000 0.000 -5.136) 5.136 3.729 ( -0.000 0.000 -11.223) 11.223 3.911 ( 0.000 0.000 2.030) 2.030 3.934 ( -0.000 0.000 1.991) 1.991 4.032 ( 0.000 0.000 -5.120) 5.120 4.091 ( -0.000 -0.000 16.919) 16.919 4.213 ( -0.000 0.000 -6.192) 6.192 4.550 ( 0.000 0.000 -7.485) 7.485 4.662 ( 0.000 0.000 -5.785) 5.785 4.765 ( 0.000 0.000 -5.807) 5.807 4.788 ( 0.000 0.000 1.658) 1.658 4.996 ( 0.000 0.000 -0.953) 0.953 5.014 ( 0.000 0.000 3.802) 3.802 5.089 ( -0.000 -0.000 10.438) 10.438 5.089 ( -0.000 0.000 -2.800) 2.800 5.297 ( 0.000 0.000 2.644) 2.644 5.360 ( 0.000 0.000 -2.376) 2.376 5.424 ( -0.000 0.000 3.768) 3.768 5.462 ( -0.000 0.000 4.999) 4.999 5.539 ( 0.000 0.000 -6.948) 6.948 5.721 ( 0.000 0.000 -3.239) 3.239 5.782 ( 0.000 0.000 -10.165) 10.165 5.883 ( 0.000 0.000 -3.386) 3.386 6.081 ( 0.000 0.000 0.856) 0.856 6.112 ( 0.000 0.000 -2.581) 2.581 6.163 ( -0.000 0.000 -5.825) 5.825 6.172 ( -0.000 0.000 -4.755) 4.755 6.401 ( 0.000 0.000 1.894) 1.894 6.514 ( 0.000 0.000 7.468) 7.468 6.574 ( -0.000 -0.000 3.324) 3.324 6.625 ( -0.000 0.000 5.532) 5.532 7.303 ( -0.000 0.000 -2.187) 2.187 7.312 ( 0.000 0.000 5.263) 5.263 7.328 ( -0.000 0.000 4.745) 4.745 7.337 ( 0.000 -0.000 2.756) 2.756 7.982 ( 0.000 0.000 11.778) 11.778 7.990 ( 0.000 0.000 12.662) 12.662 8.084 ( 0.000 -0.000 1.818) 1.818 8.220 ( -0.000 0.000 8.276) 8.276 8.388 ( 0.000 0.000 5.891) 5.891 8.482 ( 0.000 0.000 10.268) 10.268 8.954 ( -0.000 0.000 0.425) 0.425 9.144 ( -0.000 0.000 6.911) 6.911 9.965 ( 0.000 0.000 -4.255) 4.255 9.973 ( 0.000 0.000 -7.896) 7.896 10.147 ( 0.000 0.000 -10.398) 10.398 10.154 ( 0.000 0.000 -11.012) 11.012 10.482 ( 0.000 0.000 7.419) 7.419 10.623 ( 0.000 0.000 11.165) 11.165 10.828 ( 0.000 0.000 0.161) 0.161 10.837 ( -0.000 0.000 0.352) 0.352 11.786 ( 0.000 0.000 -4.671) 4.671 11.949 ( 0.000 0.000 1.168) 1.168 11.961 ( 0.000 -0.000 1.156) 1.156 12.036 ( -0.000 0.000 7.257) 7.257 12.584 ( 0.000 0.000 4.779) 4.779 12.711 ( 0.000 0.000 6.511) 6.511 13.258 ( 0.000 0.000 -15.285) 15.285 13.293 ( 0.000 0.000 -14.075) 14.075 13.994 ( 0.000 0.000 -10.968) 10.968 14.004 ( -0.000 0.000 -10.253) 10.253 14.327 ( 0.000 0.000 -17.335) 17.335 14.372 ( 0.000 0.000 -15.514) 15.514 14.898 ( 0.000 0.000 3.076) 3.076 14.975 ( -0.000 0.000 -21.050) 21.050 14.982 ( 0.000 0.000 3.399) 3.399 15.020 ( 0.000 0.000 -19.379) 19.379 16.591 ( 0.000 0.000 19.746) 19.746 16.615 ( 0.000 0.000 20.373) 20.373 16.780 ( -0.000 0.000 15.721) 15.721 16.840 ( -0.000 0.000 16.010) 16.010 21.020 ( 0.000 0.000 -12.591) 12.591 21.044 ( 0.000 0.000 -11.580) 11.580 21.416 ( -0.000 0.000 -10.506) 10.506 21.584 ( -0.000 0.000 -11.106) 11.106 22.299 ( 0.000 0.000 14.233) 14.233 22.450 ( 0.000 0.000 13.477) 13.477 22.605 ( 0.000 0.000 12.837) 12.837 22.657 ( 0.000 0.000 14.653) 14.653 28.501 ( -0.000 0.000 1.776) 1.776 28.533 ( 0.000 0.000 2.728) 2.728 28.563 ( 0.000 0.000 0.925) 0.925 28.589 ( 0.000 0.000 1.830) 1.830 29.046 ( 0.000 0.000 5.800) 5.800 29.085 ( 0.000 0.000 6.590) 6.590 29.228 ( -0.000 0.000 5.367) 5.367 29.243 ( -0.000 0.000 6.097) 6.097 29.966 ( 0.000 0.000 2.724) 2.724 29.979 ( 0.000 0.000 3.335) 3.335 30.393 ( -0.000 0.000 1.954) 1.954 30.503 ( -0.000 0.000 5.160) 5.160 31.097 ( 0.000 0.000 -3.928) 3.928 31.196 ( 0.000 -0.000 0.466) 0.466 31.284 ( -0.000 0.000 -3.241) 3.241 31.322 ( 0.000 0.000 -0.903) 0.903 31.997 ( -0.000 0.000 -7.482) 7.482 32.020 ( -0.000 0.000 -6.116) 6.116 32.733 ( 0.000 0.000 -11.384) 11.384 32.816 ( 0.000 0.000 -7.752) 7.752 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 0.000 31.152) 31.152 1.651 ( 0.000 0.000 38.614) 38.614 1.998 ( 0.000 0.000 33.328) 33.328 2.287 ( 0.000 0.000 2.573) 2.573 2.481 ( 0.000 0.000 16.288) 16.288 2.564 ( 0.000 0.000 32.448) 32.448 2.869 ( 0.000 0.000 12.163) 12.163 2.981 ( 0.000 0.000 9.503) 9.503 3.290 ( 0.000 0.000 -2.370) 2.370 3.569 ( 0.000 0.000 13.769) 13.769 3.701 ( 0.000 0.000 12.569) 12.569 3.741 ( 0.000 0.000 11.498) 11.498 3.879 ( 0.000 0.000 -7.266) 7.266 4.190 ( 0.000 0.000 -0.094) 0.094 4.221 ( 0.000 0.000 3.776) 3.776 4.343 ( 0.000 0.000 13.994) 13.994 4.607 ( 0.000 0.000 10.631) 10.631 4.613 ( 0.000 0.000 -3.348) 3.348 4.620 ( 0.000 0.000 -7.136) 7.136 4.771 ( 0.000 0.000 -8.441) 8.441 4.900 ( 0.000 0.000 -5.946) 5.946 4.939 ( 0.000 0.000 -5.677) 5.677 5.042 ( 0.000 0.000 16.306) 16.306 5.180 ( 0.000 0.000 -11.815) 11.815 5.283 ( 0.000 0.000 -3.413) 3.413 5.311 ( 0.000 0.000 -9.058) 9.058 5.321 ( 0.000 0.000 10.532) 10.532 5.353 ( 0.000 0.000 -3.602) 3.602 5.839 ( 0.000 0.000 -6.568) 6.568 5.856 ( 0.000 0.000 -8.275) 8.275 6.073 ( 0.000 0.000 -5.808) 5.808 6.077 ( 0.000 0.000 -12.450) 12.450 6.081 ( 0.000 0.000 9.525) 9.525 6.397 ( 0.000 0.000 -1.943) 1.943 6.484 ( 0.000 0.000 -1.422) 1.422 6.529 ( 0.000 0.000 3.721) 3.721 6.585 ( 0.000 0.000 9.568) 9.568 6.851 ( 0.000 0.000 6.853) 6.853 7.001 ( 0.000 0.000 -9.594) 9.594 7.016 ( 0.000 0.000 15.477) 15.477 7.272 ( 0.000 0.000 -7.258) 7.258 7.391 ( 0.000 0.000 17.521) 17.521 7.463 ( 0.000 0.000 -7.142) 7.142 7.481 ( 0.000 0.000 -1.116) 1.116 7.884 ( 0.000 0.000 1.658) 1.658 7.980 ( 0.000 0.000 -1.161) 1.161 8.210 ( 0.000 0.000 16.059) 16.059 8.397 ( 0.000 0.000 9.290) 9.290 8.518 ( 0.000 0.000 12.456) 12.456 8.670 ( 0.000 0.000 -12.397) 12.397 8.798 ( 0.000 0.000 6.706) 6.706 8.903 ( 0.000 0.000 -15.723) 15.723 9.838 ( 0.000 0.000 6.028) 6.028 9.848 ( 0.000 0.000 2.649) 2.649 9.996 ( 0.000 0.000 15.442) 15.442 10.094 ( 0.000 0.000 19.630) 19.630 10.786 ( 0.000 0.000 6.050) 6.050 10.818 ( 0.000 0.000 -5.709) 5.709 10.908 ( 0.000 0.000 1.171) 1.171 10.980 ( 0.000 0.000 0.842) 0.842 11.612 ( 0.000 0.000 -6.030) 6.030 11.710 ( 0.000 0.000 0.225) 0.225 12.101 ( 0.000 0.000 17.380) 17.380 12.157 ( 0.000 0.000 16.222) 16.222 12.898 ( 0.000 0.000 -3.824) 3.824 13.015 ( 0.000 0.000 -4.277) 4.277 13.092 ( 0.000 0.000 -2.741) 2.741 13.120 ( 0.000 0.000 -6.247) 6.247 13.545 ( 0.000 0.000 -19.282) 19.282 13.586 ( 0.000 0.000 -17.939) 17.939 13.926 ( 0.000 0.000 -9.648) 9.648 13.963 ( 0.000 0.000 -20.535) 20.535 14.036 ( 0.000 0.000 -23.898) 23.898 14.193 ( 0.000 0.000 -22.542) 22.542 14.963 ( 0.000 0.000 -22.908) 22.908 14.990 ( 0.000 0.000 -21.019) 21.019 16.353 ( 0.000 0.000 30.476) 30.476 16.926 ( 0.000 0.000 27.233) 27.233 18.287 ( 0.000 0.000 33.461) 33.461 18.469 ( 0.000 0.000 25.912) 25.912 19.573 ( 0.000 0.000 -25.301) 25.301 19.715 ( 0.000 0.000 -25.435) 25.435 21.959 ( 0.000 0.000 -10.384) 10.384 21.967 ( 0.000 0.000 -10.849) 10.849 22.489 ( 0.000 0.000 10.760) 10.760 22.508 ( 0.000 0.000 8.588) 8.588 23.064 ( 0.000 0.000 17.928) 17.928 23.089 ( 0.000 0.000 19.145) 19.145 28.571 ( 0.000 0.000 1.343) 1.343 28.579 ( 0.000 0.000 1.826) 1.826 28.618 ( 0.000 0.000 -1.587) 1.587 28.620 ( 0.000 0.000 -1.521) 1.521 28.765 ( 0.000 0.000 15.467) 15.467 29.038 ( 0.000 0.000 17.035) 17.035 29.296 ( 0.000 0.000 25.682) 25.682 29.723 ( 0.000 0.000 5.058) 5.058 30.035 ( 0.000 0.000 5.746) 5.746 30.158 ( 0.000 0.000 2.755) 2.755 30.208 ( 0.000 0.000 -2.463) 2.463 30.893 ( 0.000 0.000 -3.990) 3.990 30.953 ( 0.000 0.000 -0.066) 0.066 31.166 ( 0.000 0.000 -2.898) 2.898 31.232 ( 0.000 0.000 -2.003) 2.003 31.356 ( 0.000 0.000 -8.645) 8.645 31.619 ( 0.000 0.000 -1.001) 1.001 31.808 ( 0.000 0.000 -5.955) 5.955 31.950 ( 0.000 0.000 -4.512) 4.512 33.146 ( 0.000 0.000 -26.285) 26.285 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 13.558 0.000 28.097) 31.197 1.531 ( 11.188 0.000 16.229) 19.711 2.142 ( -10.751 0.000 12.230) 16.284 2.293 ( 1.993 0.000 11.689) 11.858 2.592 ( 28.148 0.000 35.476) 45.287 2.853 ( 1.011 0.000 14.660) 14.695 2.943 ( 7.472 0.000 20.193) 21.531 3.079 ( 11.585 0.000 2.808) 11.921 3.267 ( -1.265 0.000 6.557) 6.678 3.538 ( 4.020 0.000 3.248) 5.169 3.686 ( 2.684 0.000 8.425) 8.842 3.764 ( -2.934 0.000 7.165) 7.742 3.837 ( -3.291 0.000 8.121) 8.762 4.092 ( -4.618 0.000 -1.520) 4.862 4.111 ( -0.621 0.000 7.547) 7.572 4.441 ( -10.342 0.000 -2.390) 10.615 4.513 ( 1.401 0.000 3.630) 3.891 4.590 ( 0.443 0.000 -0.405) 0.600 4.696 ( 0.615 0.000 0.116) 0.626 4.768 ( -4.162 0.000 -7.640) 8.700 4.862 ( -1.182 0.000 -1.901) 2.238 4.953 ( 3.386 0.000 -2.328) 4.109 5.042 ( 1.649 0.000 12.647) 12.754 5.190 ( -0.493 0.000 -4.557) 4.584 5.254 ( 2.461 0.000 -5.083) 5.648 5.305 ( 2.012 0.000 -3.042) 3.647 5.467 ( 6.399 0.000 -0.979) 6.474 5.487 ( 6.372 0.000 1.587) 6.566 5.821 ( -3.973 0.000 -4.255) 5.822 5.829 ( -0.096 0.000 -6.944) 6.945 5.968 ( -1.028 0.000 0.789) 1.296 6.017 ( -5.359 0.000 -8.213) 9.807 6.100 ( -5.642 0.000 -1.459) 5.827 6.277 ( -2.627 0.000 1.029) 2.821 6.296 ( -19.204 0.000 -5.435) 19.958 6.515 ( -3.374 0.000 -2.537) 4.222 6.524 ( -7.339 0.000 10.436) 12.758 6.837 ( -0.162 0.000 5.358) 5.360 6.853 ( -12.422 0.000 -6.907) 14.213 6.945 ( -2.606 0.000 5.140) 5.763 7.185 ( -10.733 0.000 9.078) 14.057 7.241 ( -8.068 0.000 -0.468) 8.081 7.444 ( 0.811 0.000 4.345) 4.420 7.507 ( 2.452 0.000 11.281) 11.544 8.033 ( 4.594 0.000 12.159) 12.997 8.089 ( 13.356 0.000 2.965) 13.682 8.308 ( 4.214 0.000 11.713) 12.448 8.417 ( -1.459 0.000 7.014) 7.164 8.481 ( 0.121 0.000 11.471) 11.471 8.741 ( 2.545 0.000 -2.035) 3.259 8.862 ( 10.933 0.000 -8.445) 13.815 9.037 ( 11.309 0.000 -12.959) 17.199 9.674 ( -9.562 0.000 8.559) 12.834 9.683 ( -9.037 0.000 9.664) 13.231 10.113 ( 4.476 0.000 6.971) 8.285 10.216 ( 4.738 0.000 10.412) 11.439 10.696 ( -3.637 0.000 1.852) 4.082 10.830 ( -4.415 0.000 2.880) 5.272 10.873 ( 0.772 0.000 -0.033) 0.773 11.037 ( 1.228 0.000 1.224) 1.733 11.600 ( -0.187 0.000 -4.054) 4.058 11.752 ( 2.415 0.000 1.269) 2.728 12.057 ( -1.851 0.000 13.736) 13.860 12.145 ( -0.088 0.000 9.049) 9.049 12.752 ( -8.318 0.000 0.135) 8.319 12.907 ( -9.161 0.000 -3.566) 9.831 13.175 ( 6.014 0.000 -5.550) 8.183 13.222 ( 2.168 0.000 -8.822) 9.084 13.527 ( -1.259 0.000 -13.105) 13.165 13.569 ( 1.683 0.000 -16.430) 16.516 13.834 ( -3.711 0.000 -23.385) 23.677 13.886 ( 1.613 0.000 -22.237) 22.295 14.231 ( 10.462 0.000 -18.560) 21.306 14.370 ( 8.460 0.000 -23.945) 25.395 14.957 ( -0.598 0.000 -19.941) 19.950 14.969 ( -1.820 0.000 -18.354) 18.444 16.441 ( 8.591 0.000 30.027) 31.232 16.942 ( 2.220 0.000 28.133) 28.221 18.070 ( -17.776 0.000 27.390) 32.653 18.137 ( -25.365 0.000 23.458) 34.549 19.831 ( 21.774 0.000 -17.987) 28.242 20.019 ( 23.580 0.000 -18.457) 29.945 21.904 ( -6.883 0.000 -9.702) 11.895 21.959 ( -6.733 0.000 -9.132) 11.346 22.406 ( -1.705 0.000 9.172) 9.329 22.479 ( -0.820 0.000 9.242) 9.278 23.038 ( -2.751 0.000 16.511) 16.739 23.065 ( -2.509 0.000 17.292) 17.473 28.538 ( -1.338 0.000 1.658) 2.130 28.563 ( -0.555 0.000 1.563) 1.658 28.630 ( 0.139 0.000 0.156) 0.209 28.645 ( 0.699 0.000 -0.610) 0.928 28.841 ( 6.751 0.000 13.569) 15.156 29.107 ( 6.297 0.000 15.837) 17.043 29.404 ( 9.995 0.000 21.811) 23.992 29.629 ( -7.902 0.000 6.207) 10.048 29.939 ( -7.759 0.000 5.558) 9.545 30.125 ( -3.357 0.000 3.882) 5.132 30.255 ( 3.510 0.000 -0.809) 3.602 30.847 ( -4.445 0.000 -3.964) 5.955 31.010 ( 4.705 0.000 -1.357) 4.897 31.128 ( -1.587 0.000 -3.486) 3.830 31.244 ( 1.362 0.000 -1.273) 1.865 31.471 ( 6.361 0.000 -9.430) 11.375 31.612 ( 1.278 0.000 -0.731) 1.472 31.844 ( 2.296 0.000 -8.889) 9.181 31.990 ( 4.193 0.000 -4.990) 6.517 33.057 ( -8.693 0.000 -24.154) 25.671 ======================= Grid point 72 (27/72) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 10.431 0.000 26.653) 28.621 1.906 ( -8.511 0.000 23.418) 24.917 2.120 ( 37.764 0.000 0.062) 37.765 2.568 ( 19.332 0.000 -0.495) 19.339 2.739 ( -1.716 0.000 8.929) 9.093 2.827 ( -5.457 0.000 9.935) 11.335 2.997 ( 7.866 0.000 17.461) 19.150 3.150 ( -9.609 0.000 11.174) 14.738 3.441 ( 3.909 0.000 7.735) 8.666 3.595 ( -6.243 0.000 -1.791) 6.495 3.718 ( 11.795 0.000 1.244) 11.861 3.836 ( 7.218 0.000 0.955) 7.281 3.903 ( 0.106 0.000 -2.839) 2.841 4.056 ( -4.492 0.000 -2.427) 5.105 4.181 ( 3.050 0.000 7.813) 8.387 4.243 ( 0.483 0.000 14.767) 14.775 4.283 ( -9.616 0.000 -7.394) 12.130 4.616 ( -5.999 0.000 -4.274) 7.366 4.725 ( 7.151 0.000 9.353) 11.774 4.747 ( 3.857 0.000 1.297) 4.069 4.885 ( 2.821 0.000 -1.141) 3.043 4.961 ( -2.436 0.000 -3.130) 3.966 5.111 ( 3.590 0.000 9.723) 10.364 5.188 ( -0.748 0.000 1.325) 1.522 5.300 ( 1.164 0.000 -3.224) 3.428 5.326 ( -2.232 0.000 -6.237) 6.624 5.509 ( -1.033 0.000 -5.433) 5.530 5.512 ( -1.436 0.000 3.388) 3.680 5.746 ( -14.540 0.000 0.384) 14.545 5.768 ( -3.019 0.000 -6.048) 6.760 5.877 ( -3.021 0.000 -7.445) 8.034 5.906 ( -7.196 0.000 -1.124) 7.284 6.006 ( -1.162 0.000 -2.458) 2.718 6.014 ( -3.426 0.000 -1.565) 3.766 6.305 ( 4.337 0.000 5.064) 6.667 6.405 ( -5.337 0.000 2.724) 5.992 6.447 ( -2.021 0.000 8.994) 9.219 6.632 ( -3.004 0.000 -0.391) 3.030 6.702 ( -11.696 0.000 5.224) 12.810 6.859 ( -6.207 0.000 5.765) 8.471 7.071 ( 0.062 0.000 7.926) 7.927 7.156 ( -2.026 0.000 -0.282) 2.046 7.461 ( 1.120 0.000 4.728) 4.859 7.534 ( -0.127 0.000 8.784) 8.785 8.134 ( 4.697 0.000 15.605) 16.297 8.312 ( 4.750 0.000 12.821) 13.672 8.332 ( -1.952 0.000 8.237) 8.465 8.347 ( 1.391 0.000 13.991) 14.060 8.541 ( 3.980 0.000 8.347) 9.247 8.735 ( -2.293 0.000 5.661) 6.108 9.138 ( 8.807 0.000 -7.996) 11.895 9.208 ( 1.226 0.000 -0.822) 1.476 9.602 ( 5.019 0.000 2.497) 5.605 9.633 ( 9.188 0.000 -0.685) 9.213 10.102 ( -6.007 0.000 0.433) 6.023 10.184 ( -7.843 0.000 2.390) 8.199 10.672 ( 1.215 0.000 4.574) 4.733 10.753 ( -2.799 0.000 5.995) 6.616 10.844 ( -2.597 0.000 1.712) 3.110 10.974 ( -6.660 0.000 2.653) 7.169 11.650 ( 5.181 0.000 -3.412) 6.204 11.776 ( 0.537 0.000 -1.310) 1.416 12.067 ( 1.690 0.000 3.269) 3.680 12.141 ( -1.924 0.000 -0.208) 1.936 12.672 ( 1.042 0.000 4.305) 4.429 12.743 ( -5.135 0.000 1.233) 5.281 13.138 ( -5.996 0.000 -8.830) 10.674 13.207 ( -3.660 0.000 -9.434) 10.119 13.621 ( 7.087 0.000 -14.277) 15.939 13.642 ( 5.752 0.000 -14.306) 15.419 13.847 ( 2.697 0.000 -25.942) 26.082 13.933 ( 0.989 0.000 -24.875) 24.895 14.391 ( 5.611 0.000 -23.534) 24.193 14.467 ( 1.903 0.000 -26.784) 26.851 14.927 ( -2.067 0.000 -11.251) 11.439 14.932 ( -1.808 0.000 -12.132) 12.266 16.695 ( 15.809 0.000 28.044) 32.194 17.038 ( 7.126 0.000 27.553) 28.460 17.612 ( -24.139 0.000 22.993) 33.337 17.678 ( -18.857 0.000 23.758) 30.332 20.345 ( 26.653 0.000 -10.826) 28.768 20.527 ( 24.210 0.000 -11.789) 26.928 21.614 ( -22.429 0.000 -3.684) 22.730 21.644 ( -17.557 0.000 -7.552) 19.112 22.518 ( 8.697 0.000 4.740) 9.904 22.533 ( 5.577 0.000 9.259) 10.809 22.954 ( -5.079 0.000 13.461) 14.387 22.983 ( -5.278 0.000 13.166) 14.184 28.533 ( 0.662 0.000 1.948) 2.058 28.561 ( 0.131 0.000 1.754) 1.759 28.621 ( -0.679 0.000 1.090) 1.284 28.640 ( -0.933 0.000 0.614) 1.117 29.008 ( 9.135 0.000 11.727) 14.865 29.262 ( 7.161 0.000 12.727) 14.603 29.453 ( -7.611 0.000 8.738) 11.588 29.631 ( 7.149 0.000 13.004) 14.839 29.775 ( -4.579 0.000 8.012) 9.228 30.031 ( -5.508 0.000 5.272) 7.625 30.350 ( 6.376 0.000 0.150) 6.378 30.715 ( -8.379 0.000 -2.881) 8.861 31.099 ( 3.116 0.000 -1.557) 3.483 31.120 ( 0.458 0.000 -3.212) 3.244 31.295 ( 3.656 0.000 -2.396) 4.371 31.472 ( -3.557 0.000 -4.041) 5.384 31.735 ( 6.863 0.000 -8.681) 11.067 31.866 ( -0.343 0.000 -11.069) 11.074 32.150 ( 12.124 0.000 -6.782) 13.892 32.805 ( -15.341 0.000 -18.473) 24.013 ======================= Grid point 73 (28/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.092 0.000 28.815) 28.835 1.796 ( 1.092 0.000 28.815) 28.835 2.667 ( -0.043 0.000 10.835) 10.836 2.667 ( 0.043 0.000 10.835) 10.836 2.850 ( -21.668 0.000 12.895) 25.215 2.850 ( 21.668 0.000 12.895) 25.215 3.112 ( -9.585 0.000 -5.941) 11.277 3.112 ( 9.585 0.000 -5.941) 11.277 3.362 ( -6.901 0.000 -9.880) 12.051 3.362 ( 6.901 0.000 -9.880) 12.051 3.769 ( -0.065 0.000 -6.347) 6.348 3.769 ( 0.065 0.000 -6.347) 6.348 3.962 ( -3.336 0.000 -3.332) 4.715 3.962 ( 3.336 0.000 -3.332) 4.715 4.239 ( -2.599 0.000 14.370) 14.603 4.239 ( 2.599 0.000 14.370) 14.603 4.443 ( -12.481 0.000 1.561) 12.578 4.443 ( 12.481 0.000 1.561) 12.578 4.876 ( -4.099 0.000 3.311) 5.269 4.876 ( 4.099 0.000 3.311) 5.269 4.900 ( -2.079 0.000 -1.544) 2.590 4.900 ( 2.079 0.000 -1.544) 2.590 5.179 ( -0.028 0.000 4.825) 4.825 5.179 ( 0.028 0.000 4.825) 4.825 5.298 ( -0.008 0.000 -0.118) 0.118 5.298 ( 0.008 0.000 -0.118) 0.118 5.448 ( -0.156 0.000 -2.670) 2.675 5.448 ( 0.156 0.000 -2.670) 2.675 5.601 ( -1.124 0.000 2.930) 3.138 5.601 ( 1.124 0.000 2.930) 3.138 5.886 ( -2.243 0.000 -5.476) 5.918 5.886 ( 2.243 0.000 -5.476) 5.918 5.995 ( -0.011 0.000 -0.797) 0.798 5.995 ( 0.011 0.000 -0.797) 0.798 6.277 ( -6.791 0.000 7.104) 9.828 6.277 ( 6.791 0.000 7.104) 9.828 6.579 ( -7.612 0.000 5.811) 9.576 6.579 ( 7.612 0.000 5.811) 9.576 6.682 ( -4.538 0.000 4.585) 6.451 6.682 ( 4.538 0.000 4.585) 6.451 7.110 ( -1.736 0.000 2.157) 2.769 7.110 ( 1.736 0.000 2.157) 2.769 7.500 ( -1.395 0.000 5.208) 5.392 7.500 ( 1.395 0.000 5.208) 5.392 8.226 ( -3.538 0.000 12.580) 13.068 8.226 ( 3.538 0.000 12.580) 13.067 8.384 ( -0.371 0.000 16.500) 16.504 8.384 ( 0.371 0.000 16.500) 16.504 8.646 ( -3.604 0.000 5.741) 6.779 8.646 ( 3.604 0.000 5.741) 6.779 9.186 ( -0.020 0.000 4.648) 4.648 9.186 ( 0.020 0.000 4.648) 4.648 9.863 ( -12.613 0.000 -2.016) 12.773 9.863 ( 12.613 0.000 -2.016) 12.773 9.936 ( -12.915 0.000 -6.218) 14.334 9.936 ( 12.915 0.000 -6.218) 14.334 10.716 ( -0.493 0.000 7.228) 7.244 10.716 ( 0.493 0.000 7.228) 7.244 10.840 ( -3.128 0.000 2.222) 3.837 10.840 ( 3.128 0.000 2.222) 3.837 11.757 ( -1.638 0.000 -5.954) 6.176 11.757 ( 1.638 0.000 -5.954) 6.176 12.091 ( -0.275 0.000 0.913) 0.953 12.091 ( 0.275 0.000 0.913) 0.953 12.705 ( -0.095 0.000 3.478) 3.479 12.705 ( 0.095 0.000 3.478) 3.479 13.105 ( -3.078 0.000 -8.914) 9.431 13.105 ( 3.078 0.000 -8.914) 9.431 13.717 ( -0.403 0.000 -15.000) 15.005 13.717 ( 0.403 0.000 -15.000) 15.005 13.902 ( -2.336 0.000 -25.909) 26.015 13.902 ( 2.336 0.000 -25.909) 26.014 14.470 ( -1.103 0.000 -28.695) 28.716 14.470 ( 1.103 0.000 -28.695) 28.716 14.903 ( -0.039 0.000 -6.415) 6.415 14.903 ( 0.039 0.000 -6.415) 6.415 17.049 ( -15.517 0.000 25.755) 30.068 17.049 ( 15.517 0.000 25.755) 30.068 17.359 ( -8.852 0.000 24.091) 25.666 17.359 ( 8.852 0.000 24.091) 25.666 20.800 ( -9.163 0.000 -7.589) 11.898 20.800 ( 9.163 0.000 -7.589) 11.898 21.316 ( -4.536 0.000 -6.900) 8.257 21.316 ( 4.536 0.000 -6.900) 8.257 22.628 ( -0.106 0.000 9.372) 9.373 22.628 ( 0.106 0.000 9.372) 9.373 22.891 ( -0.625 0.000 9.872) 9.892 22.891 ( 0.625 0.000 9.872) 9.892 28.554 ( -0.624 0.000 2.063) 2.156 28.554 ( 0.624 0.000 2.063) 2.156 28.620 ( -0.294 0.000 0.999) 1.042 28.620 ( 0.294 0.000 0.999) 1.042 29.202 ( -9.318 0.000 9.656) 13.419 29.202 ( 9.318 0.000 9.656) 13.419 29.513 ( -9.398 0.000 11.266) 14.671 29.513 ( 9.398 0.000 11.266) 14.671 29.898 ( -7.685 0.000 7.052) 10.431 29.898 ( 7.685 0.000 7.052) 10.431 30.521 ( -9.404 0.000 -0.799) 9.438 30.521 ( 9.404 0.000 -0.799) 9.438 31.128 ( -0.001 0.000 -2.097) 2.097 31.128 ( 0.001 0.000 -2.097) 2.097 31.384 ( -2.163 0.000 -3.226) 3.884 31.384 ( 2.163 0.000 -3.226) 3.884 31.832 ( -1.336 0.000 -10.952) 11.033 31.832 ( 1.336 0.000 -10.952) 11.033 32.463 ( -16.337 0.000 -11.921) 20.224 32.463 ( 16.337 0.000 -11.921) 20.224 ======================= Grid point 77 (29/72) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 11.173 23.723) 26.223 1.774 ( 0.000 10.119 35.291) 36.713 2.087 ( 0.000 5.839 27.923) 28.527 2.102 ( 0.000 -15.209 4.062) 15.742 2.453 ( 0.000 -7.989 32.803) 33.761 2.485 ( 0.000 -1.957 15.173) 15.299 2.857 ( 0.000 4.665 12.654) 13.486 3.088 ( 0.000 8.149 11.123) 13.789 3.454 ( 0.000 8.693 2.142) 8.953 3.569 ( 0.000 -14.039 1.963) 14.176 3.590 ( 0.000 1.246 16.017) 16.065 3.775 ( 0.000 3.973 9.463) 10.263 3.791 ( 0.000 -4.269 11.891) 12.634 3.991 ( 0.000 -7.076 5.851) 9.182 4.292 ( 0.000 -3.386 10.640) 11.166 4.328 ( 0.000 0.176 -4.013) 4.017 4.591 ( 0.000 -1.309 5.625) 5.775 4.613 ( 0.000 2.117 -6.055) 6.414 4.677 ( 0.000 0.130 -5.179) 5.181 4.728 ( 0.000 -1.829 -0.304) 1.854 4.925 ( 0.000 0.298 -7.574) 7.580 4.931 ( 0.000 -4.841 11.610) 12.579 5.035 ( 0.000 5.336 -5.260) 7.493 5.148 ( 0.000 -4.557 -9.683) 10.702 5.276 ( 0.000 4.562 -11.110) 12.010 5.323 ( 0.000 2.270 -4.712) 5.230 5.394 ( 0.000 1.786 8.537) 8.722 5.430 ( 0.000 6.015 -3.359) 6.889 5.776 ( 0.000 -7.781 -1.801) 7.987 5.816 ( 0.000 -2.786 -6.323) 6.909 5.957 ( 0.000 -2.467 4.336) 4.988 6.069 ( 0.000 -1.356 -3.994) 4.218 6.169 ( 0.000 3.137 -6.602) 7.309 6.280 ( 0.000 -6.599 0.369) 6.609 6.379 ( 0.000 -2.373 1.253) 2.683 6.590 ( 0.000 -4.762 3.613) 5.977 6.706 ( 0.000 9.774 -0.031) 9.774 6.881 ( 0.000 0.556 3.531) 3.574 6.912 ( 0.000 4.413 6.058) 7.495 7.220 ( 0.000 -6.427 6.046) 8.824 7.225 ( 0.000 10.035 5.388) 11.390 7.349 ( 0.000 -0.209 -0.404) 0.455 7.430 ( 0.000 -2.472 -8.359) 8.717 7.551 ( 0.000 0.922 -0.131) 0.932 7.881 ( 0.000 0.285 2.346) 2.363 7.931 ( 0.000 -3.051 1.617) 3.453 8.294 ( 0.000 6.785 14.173) 15.713 8.443 ( 0.000 2.401 8.596) 8.925 8.543 ( 0.000 3.380 7.977) 8.664 8.697 ( 0.000 2.001 -9.487) 9.696 8.734 ( 0.000 -5.087 5.739) 7.669 8.878 ( 0.000 -2.963 -13.669) 13.986 9.840 ( 0.000 0.226 5.815) 5.819 9.848 ( 0.000 -0.021 3.488) 3.488 10.043 ( 0.000 3.668 15.092) 15.532 10.105 ( 0.000 0.757 18.993) 19.008 10.735 ( 0.000 -2.722 2.504) 3.698 10.776 ( 0.000 -3.222 -5.345) 6.241 10.956 ( 0.000 2.829 2.257) 3.619 10.995 ( 0.000 0.849 1.158) 1.436 11.627 ( 0.000 1.404 -4.663) 4.869 11.698 ( 0.000 -1.191 -0.229) 1.213 12.111 ( 0.000 0.930 17.388) 17.413 12.151 ( 0.000 -0.587 16.624) 16.635 12.862 ( 0.000 -1.214 -4.348) 4.515 12.997 ( 0.000 -5.842 -4.149) 7.165 13.079 ( 0.000 4.055 -4.024) 5.713 13.159 ( 0.000 0.881 -4.532) 4.617 13.555 ( 0.000 0.826 -18.772) 18.790 13.583 ( 0.000 -0.288 -17.906) 17.908 13.933 ( 0.000 0.906 -13.403) 13.434 13.985 ( 0.000 1.911 -18.075) 18.176 14.018 ( 0.000 -1.718 -23.457) 23.520 14.133 ( 0.000 -4.804 -18.565) 19.176 14.966 ( 0.000 0.332 -22.700) 22.702 14.986 ( 0.000 -0.416 -21.386) 21.390 16.380 ( 0.000 2.877 31.476) 31.607 16.746 ( 0.000 -13.764 32.236) 35.051 18.287 ( 0.000 0.078 33.456) 33.456 18.378 ( 0.000 -5.622 30.843) 31.352 19.620 ( 0.000 3.186 -26.638) 26.828 19.705 ( 0.000 -0.944 -25.820) 25.837 21.965 ( 0.000 0.409 -10.623) 10.631 21.969 ( 0.000 0.116 -10.814) 10.815 22.483 ( 0.000 -0.209 10.507) 10.509 22.501 ( 0.000 -0.601 8.878) 8.898 23.085 ( 0.000 1.788 17.694) 17.784 23.118 ( 0.000 1.591 17.620) 17.692 28.565 ( 0.000 -0.294 1.766) 1.791 28.574 ( 0.000 -0.425 1.847) 1.895 28.619 ( 0.000 0.037 -1.658) 1.659 28.620 ( 0.000 -0.039 -1.533) 1.534 28.794 ( 0.000 2.536 15.182) 15.392 28.959 ( 0.000 -5.123 16.590) 17.363 29.460 ( 0.000 13.367 26.699) 29.859 29.768 ( 0.000 4.332 5.136) 6.718 29.962 ( 0.000 -6.156 6.719) 9.112 30.161 ( 0.000 -0.851 2.496) 2.637 30.213 ( 0.000 0.418 -1.544) 1.600 30.588 ( 0.000 -32.320 16.810) 36.430 30.969 ( 0.000 4.588 -3.988) 6.079 31.128 ( 0.000 -2.882 -2.634) 3.904 31.211 ( 0.000 -0.891 2.730) 2.871 31.266 ( 0.000 2.458 -3.366) 4.168 31.432 ( 0.000 -4.139 -5.837) 7.156 31.542 ( 0.000 -6.845 -0.544) 6.866 32.688 ( 0.000 28.166 -27.711) 39.512 33.142 ( 0.000 -1.077 -27.438) 27.459 ======================= Grid point 78 (30/72) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 7.912 6.278 23.288) 25.384 1.640 ( 9.917 8.474 15.403) 20.184 2.038 ( -5.328 -10.929 8.746) 14.978 2.185 ( 4.274 -8.678 12.111) 15.500 2.686 ( 9.767 6.794 24.626) 27.349 2.818 ( 13.143 4.358 24.541) 28.177 2.988 ( 13.621 1.801 18.036) 22.673 3.138 ( 12.045 0.693 10.532) 16.015 3.296 ( -10.566 -2.110 5.302) 12.009 3.518 ( 2.264 -0.455 4.824) 5.348 3.649 ( -0.698 -3.372 7.979) 8.690 3.739 ( -2.633 -0.407 7.612) 8.065 3.819 ( 4.562 2.784 10.789) 12.040 3.974 ( 2.484 -2.054 6.241) 7.024 4.254 ( -4.642 -0.037 -0.854) 4.720 4.377 ( -1.306 -2.196 2.685) 3.707 4.518 ( -2.695 -1.253 0.414) 3.001 4.585 ( -3.482 1.179 -2.508) 4.450 4.684 ( 0.974 -2.356 -0.363) 2.575 4.772 ( -4.088 -0.316 3.178) 5.188 4.892 ( 5.502 -1.114 -2.843) 6.293 4.957 ( -1.001 3.379 -3.520) 4.981 5.068 ( 3.383 3.568 1.561) 5.159 5.190 ( 0.723 -0.413 -3.746) 3.838 5.277 ( 4.239 2.365 -9.719) 10.864 5.333 ( -2.736 2.282 -1.396) 3.827 5.408 ( 2.375 -3.927 0.210) 4.594 5.502 ( 4.884 1.039 -1.656) 5.261 5.722 ( -4.182 -5.802 0.639) 7.180 5.786 ( -1.429 -6.780 -6.014) 9.174 5.917 ( -0.772 1.207 0.217) 1.449 6.059 ( -4.923 -1.303 -2.436) 5.645 6.079 ( -9.116 0.720 -6.282) 11.094 6.201 ( -5.439 -2.959 1.449) 6.359 6.323 ( -8.304 -2.210 -1.362) 8.700 6.428 ( -6.674 -6.825 -0.382) 9.553 6.630 ( -3.080 10.234 2.789) 11.045 6.881 ( -5.051 2.343 1.892) 5.880 6.944 ( -15.781 5.396 0.851) 16.700 7.005 ( 0.797 5.530 1.962) 5.922 7.152 ( -13.744 -2.794 1.475) 14.102 7.261 ( -2.070 1.298 4.855) 5.435 7.385 ( 4.454 -2.843 7.355) 9.057 7.524 ( -0.141 -1.164 6.726) 6.827 8.041 ( 8.448 1.542 7.423) 11.351 8.159 ( 11.598 2.841 6.582) 13.635 8.285 ( 1.030 1.277 12.533) 12.640 8.446 ( -1.566 2.077 6.894) 7.368 8.499 ( -2.184 0.921 11.001) 11.254 8.686 ( 0.688 -4.839 1.329) 5.065 8.862 ( 12.450 0.294 -11.158) 16.721 9.018 ( 10.857 -1.718 -11.812) 16.135 9.629 ( -9.933 -1.097 9.482) 13.776 9.759 ( -8.023 3.453 7.795) 11.707 10.117 ( 2.584 0.308 6.990) 7.459 10.228 ( 5.351 0.965 10.648) 11.956 10.672 ( -3.027 -1.505 2.266) 4.069 10.805 ( -0.054 -1.359 -2.413) 2.770 10.916 ( -1.758 2.532 3.344) 4.548 11.031 ( 0.194 -0.505 1.212) 1.327 11.595 ( -1.040 -0.289 -1.941) 2.221 11.770 ( 4.079 1.322 -0.582) 4.328 12.069 ( -2.151 1.123 13.159) 13.381 12.135 ( -0.216 -0.996 10.291) 10.342 12.750 ( -7.108 0.144 -0.191) 7.112 12.875 ( -8.118 -2.754 -3.109) 9.119 13.178 ( 2.790 0.036 -6.707) 7.265 13.223 ( 2.936 0.287 -7.689) 8.236 13.529 ( -1.757 0.225 -13.557) 13.673 13.572 ( 1.497 0.128 -15.013) 15.088 13.834 ( -2.873 0.208 -23.524) 23.700 13.875 ( 1.111 -0.988 -22.822) 22.870 14.237 ( 11.020 0.590 -18.521) 21.560 14.341 ( 9.350 -2.281 -21.829) 23.856 14.958 ( -0.858 0.104 -19.581) 19.601 14.967 ( -1.478 -0.182 -18.750) 18.809 16.469 ( 8.639 2.910 30.890) 32.207 16.799 ( 5.257 -11.331 31.362) 33.758 18.041 ( -19.837 -2.072 27.124) 33.668 18.117 ( -21.178 -1.019 26.175) 33.685 19.854 ( 21.225 1.690 -18.634) 28.295 20.005 ( 23.020 -1.033 -18.786) 29.730 21.909 ( -7.122 0.535 -9.541) 11.918 21.948 ( -6.630 -0.894 -9.335) 11.484 22.416 ( -1.534 0.949 9.254) 9.428 22.469 ( -0.956 -0.932 9.172) 9.268 23.055 ( -2.940 1.465 16.513) 16.837 23.086 ( -3.267 1.131 16.234) 16.599 28.537 ( -1.106 0.057 1.787) 2.102 28.557 ( -0.582 -0.545 1.505) 1.703 28.634 ( 0.193 0.237 -0.119) 0.328 28.644 ( 0.702 -0.114 -0.578) 0.916 28.865 ( 6.515 2.239 13.822) 15.443 29.030 ( 6.458 -5.186 15.389) 17.476 29.557 ( 7.612 11.508 21.171) 25.270 29.678 ( -6.623 5.249 7.067) 11.016 29.878 ( -7.032 -4.715 6.310) 10.560 30.133 ( -2.579 -0.467 3.645) 4.489 30.253 ( 3.455 0.011 0.088) 3.456 30.668 ( 4.808 -24.535 9.447) 26.727 30.969 ( 0.756 3.274 -3.347) 4.742 31.143 ( 1.346 0.524 -3.651) 3.926 31.183 ( -0.381 -2.059 -0.318) 2.118 31.375 ( 5.956 -3.325 -3.028) 7.464 31.514 ( 6.849 -4.839 -5.960) 10.288 31.569 ( 4.633 -4.430 -0.619) 6.440 32.591 ( -8.207 24.806 -22.943) 34.772 33.044 ( -9.328 -1.797 -24.895) 26.646 ======================= Grid point 79 (31/72) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 10.271 1.847 24.148) 26.307 1.920 ( -1.444 -1.304 18.369) 18.472 2.168 ( 32.942 4.058 -0.705) 33.198 2.503 ( 16.609 -4.356 3.129) 17.453 2.585 ( 2.250 -5.744 8.321) 10.358 2.824 ( -10.484 -6.160 11.392) 16.663 3.068 ( -0.113 4.490 15.516) 16.153 3.177 ( -3.925 1.443 7.763) 8.818 3.454 ( -4.600 0.601 9.138) 10.248 3.600 ( 0.026 2.497 3.345) 4.174 3.726 ( 17.545 2.288 6.679) 18.912 3.845 ( 2.190 0.687 -0.550) 2.360 3.942 ( 0.703 -0.416 1.054) 1.333 4.014 ( 3.560 -0.290 2.788) 4.531 4.146 ( -3.946 -4.068 1.643) 5.900 4.293 ( 2.457 6.426 4.751) 8.361 4.386 ( -5.566 3.968 1.654) 7.033 4.581 ( -2.048 -1.105 2.912) 3.728 4.716 ( 1.599 -1.511 0.542) 2.266 4.727 ( 5.299 -2.030 1.092) 5.779 4.863 ( -1.951 0.535 -6.468) 6.777 5.020 ( -0.291 2.045 3.452) 4.023 5.119 ( 1.687 1.661 0.804) 2.500 5.195 ( -0.127 0.821 -0.713) 1.095 5.299 ( -0.345 -1.278 4.561) 4.749 5.347 ( 1.418 2.228 -4.474) 5.195 5.430 ( 0.361 -4.891 -3.742) 6.169 5.523 ( -1.932 0.294 -1.890) 2.719 5.692 ( -9.385 -5.024 -4.724) 11.646 5.739 ( -2.367 -2.576 -3.369) 4.857 5.839 ( -5.475 -3.669 -4.055) 7.738 5.876 ( -1.422 -1.175 -0.606) 1.941 5.936 ( -3.999 1.129 -1.382) 4.379 6.112 ( -3.991 1.035 -1.004) 4.243 6.258 ( 2.062 -2.964 2.781) 4.558 6.338 ( -6.715 -1.017 4.989) 8.427 6.541 ( -2.894 1.083 3.955) 5.019 6.599 ( -12.898 -1.406 0.739) 12.996 6.710 ( -6.337 2.368 6.287) 9.235 6.889 ( -7.733 0.736 7.196) 10.589 7.135 ( 3.349 6.929 2.283) 8.027 7.240 ( -0.009 5.640 1.924) 5.959 7.459 ( 1.103 -0.366 5.323) 5.449 7.515 ( -0.166 -2.060 8.834) 9.073 8.159 ( 3.205 0.915 12.211) 12.658 8.263 ( 2.559 -0.723 12.318) 12.601 8.355 ( -1.384 1.685 14.535) 14.698 8.386 ( 1.652 1.268 11.475) 11.662 8.520 ( 3.130 -1.796 8.214) 8.972 8.701 ( 0.485 -2.541 6.662) 7.147 9.106 ( 0.908 -1.911 -2.711) 3.439 9.206 ( 9.495 -0.476 -6.179) 11.339 9.609 ( 8.495 0.363 -0.853) 8.546 9.653 ( 3.247 1.397 2.523) 4.343 10.089 ( -5.894 -0.754 -0.876) 6.007 10.206 ( -8.034 1.366 2.974) 8.675 10.644 ( 0.597 -1.613 5.617) 5.874 10.778 ( -1.099 1.394 2.985) 3.473 10.871 ( -3.170 2.332 3.134) 5.031 10.966 ( -6.042 -0.917 2.596) 6.640 11.628 ( 4.368 -1.275 -2.463) 5.174 11.820 ( 1.575 3.017 -2.003) 3.949 12.045 ( -1.516 -1.423 1.096) 2.351 12.159 ( 0.963 0.991 2.340) 2.717 12.686 ( 1.714 1.146 4.811) 5.234 12.741 ( -3.049 -0.041 1.126) 3.250 13.111 ( -6.906 -1.946 -9.539) 11.936 13.176 ( -6.205 -2.576 -9.017) 11.245 13.615 ( 7.469 -0.243 -14.162) 16.013 13.655 ( 5.957 0.725 -13.803) 15.051 13.855 ( 2.272 0.797 -25.725) 25.837 13.923 ( 1.533 -0.923 -25.367) 25.430 14.399 ( 4.876 0.740 -23.943) 24.446 14.454 ( 3.005 -1.139 -25.966) 26.164 14.919 ( -2.382 -0.295 -11.344) 11.595 14.943 ( -1.264 0.519 -11.926) 12.004 16.722 ( 15.719 2.767 28.539) 32.699 16.962 ( 10.448 -6.560 28.608) 31.155 17.591 ( -22.605 -1.068 23.969) 32.964 17.667 ( -20.955 -1.092 23.460) 31.475 20.364 ( 26.539 1.630 -10.977) 28.765 20.508 ( 24.280 -1.600 -11.846) 27.062 21.609 ( -21.253 -0.236 -4.330) 21.691 21.653 ( -18.529 0.531 -7.580) 20.027 22.502 ( 6.714 -0.801 7.930) 10.421 22.539 ( 7.434 0.078 6.795) 10.072 22.963 ( -5.930 0.778 13.210) 14.500 22.993 ( -5.246 0.589 13.040) 14.068 28.534 ( 0.630 0.226 1.960) 2.071 28.559 ( 0.600 -0.352 1.516) 1.668 28.620 ( -1.258 0.031 1.089) 1.664 28.640 ( -0.789 -0.115 0.741) 1.088 29.030 ( 9.103 2.112 11.952) 15.171 29.193 ( 8.477 -4.999 12.822) 16.164 29.479 ( -8.661 2.685 8.530) 12.449 29.652 ( -7.806 -2.868 9.344) 12.509 29.832 ( 7.601 9.092 10.681) 15.954 30.067 ( -3.695 1.969 4.570) 6.198 30.355 ( 6.859 0.747 1.710) 7.108 30.678 ( -4.096 -6.869 1.649) 8.166 31.015 ( 2.927 -2.798 -1.885) 4.466 31.166 ( 0.529 2.154 -2.549) 3.379 31.215 ( 3.189 -4.827 -4.091) 7.085 31.407 ( -1.318 -6.092 -2.386) 6.674 31.684 ( 8.322 -2.201 -7.782) 11.605 31.754 ( 10.497 -3.212 -6.026) 12.523 32.429 ( -5.329 15.258 -15.472) 22.373 32.788 ( -14.638 -1.935 -18.621) 23.765 ======================= Grid point 80 (32/72) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 2.162 25.644) 25.735 1.904 ( 0.000 7.146 26.183) 27.141 2.479 ( -0.000 -12.075 14.314) 18.727 2.589 ( 0.000 -8.988 6.187) 10.912 2.860 ( 0.000 -1.334 10.822) 10.904 2.915 ( -0.000 6.759 11.859) 13.650 3.098 ( 0.000 2.368 0.494) 2.419 3.142 ( -0.000 -0.527 -6.758) 6.778 3.302 ( 0.000 -2.391 -6.578) 6.999 3.381 ( -0.000 -0.633 -15.846) 15.859 3.661 ( -0.000 -5.131 0.935) 5.216 3.930 ( -0.000 7.691 -3.625) 8.503 3.984 ( -0.000 2.222 1.024) 2.447 4.019 ( 0.000 3.139 -2.452) 3.984 4.138 ( 0.000 -2.919 9.572) 10.007 4.399 ( 0.000 5.403 17.519) 18.333 4.455 ( -0.000 2.956 4.434) 5.329 4.476 ( 0.000 4.806 -2.607) 5.468 4.804 ( -0.000 -3.382 2.494) 4.202 4.808 ( -0.000 -5.501 -5.210) 7.577 4.895 ( 0.000 -1.871 -3.853) 4.283 4.991 ( -0.000 6.419 7.314) 9.731 5.142 ( 0.000 -4.970 -10.564) 11.675 5.177 ( 0.000 0.351 7.872) 7.880 5.269 ( -0.000 4.099 5.818) 7.117 5.392 ( 0.000 -2.534 2.217) 3.367 5.421 ( 0.000 0.956 -3.369) 3.502 5.476 ( 0.000 -0.503 -2.077) 2.137 5.517 ( 0.000 0.303 -2.058) 2.081 5.619 ( -0.000 -0.827 5.275) 5.340 5.820 ( 0.000 -8.646 -3.472) 9.317 5.912 ( 0.000 0.467 -1.849) 1.907 5.951 ( 0.000 5.380 -3.204) 6.262 6.084 ( 0.000 1.156 2.312) 2.585 6.160 ( -0.000 -6.715 5.250) 8.524 6.240 ( 0.000 -4.122 2.702) 4.929 6.515 ( 0.000 -3.164 7.910) 8.520 6.588 ( 0.000 1.689 4.835) 5.122 6.671 ( 0.000 0.411 3.024) 3.052 6.743 ( -0.000 0.992 6.013) 6.095 7.170 ( 0.000 5.261 -0.522) 5.287 7.245 ( 0.000 9.592 4.132) 10.444 7.460 ( -0.000 -1.527 5.557) 5.763 7.514 ( 0.000 -1.073 6.436) 6.525 8.188 ( 0.000 -1.722 7.776) 7.964 8.282 ( -0.000 3.310 16.793) 17.116 8.346 ( 0.000 -2.655 16.595) 16.806 8.405 ( 0.000 0.991 13.665) 13.701 8.574 ( 0.000 -2.353 7.626) 7.980 8.702 ( 0.000 1.202 8.051) 8.140 9.074 ( -0.000 -4.450 5.179) 6.828 9.259 ( 0.000 1.629 4.118) 4.428 9.840 ( 0.000 -0.610 -2.366) 2.444 9.897 ( -0.000 1.596 -4.797) 5.056 9.917 ( 0.000 -0.784 -8.979) 9.013 9.947 ( -0.000 0.139 -1.926) 1.931 10.672 ( 0.000 -1.508 8.235) 8.372 10.784 ( 0.000 3.581 6.135) 7.103 10.817 ( 0.000 -0.316 -0.219) 0.385 10.868 ( -0.000 0.455 4.611) 4.634 11.704 ( 0.000 -1.660 -5.443) 5.691 11.837 ( -0.000 3.977 -6.137) 7.313 12.013 ( 0.000 -3.483 -1.390) 3.750 12.156 ( -0.000 2.119 3.399) 4.006 12.722 ( 0.000 1.863 6.535) 6.795 12.754 ( 0.000 4.211 1.852) 4.600 13.032 ( -0.000 -5.059 -9.233) 10.528 13.064 ( 0.000 -4.491 -10.013) 10.974 13.717 ( 0.000 0.310 -14.422) 14.425 13.734 ( -0.000 0.863 -14.610) 14.635 13.878 ( -0.000 -0.985 -25.994) 26.012 13.921 ( 0.000 0.601 -26.436) 26.442 14.446 ( -0.000 -0.948 -28.837) 28.853 14.491 ( 0.000 0.786 -28.722) 28.733 14.888 ( 0.000 -0.487 -5.487) 5.509 14.924 ( 0.000 0.890 -7.110) 7.165 17.067 ( 0.000 1.573 26.145) 26.192 17.072 ( -0.000 2.175 25.780) 25.872 17.305 ( 0.000 -4.395 24.847) 25.233 17.318 ( -0.000 -3.403 24.058) 24.297 20.791 ( 0.000 -0.156 -7.943) 7.945 20.819 ( -0.000 0.842 -7.599) 7.645 21.279 ( -0.000 -1.425 -5.236) 5.426 21.349 ( -0.000 1.129 -8.632) 8.706 22.593 ( 0.000 -1.350 10.627) 10.713 22.660 ( 0.000 1.077 8.080) 8.152 22.867 ( -0.000 -0.801 9.945) 9.977 22.919 ( 0.000 1.114 10.053) 10.114 28.546 ( -0.000 -0.067 2.122) 2.123 28.571 ( -0.000 0.902 1.880) 2.085 28.599 ( 0.000 -1.047 0.898) 1.379 28.628 ( 0.000 -0.011 1.177) 1.177 29.210 ( 0.000 0.954 10.406) 10.449 29.225 ( -0.000 1.750 9.442) 9.603 29.446 ( -0.000 -3.959 11.281) 11.955 29.471 ( 0.000 -3.790 10.569) 11.228 29.965 ( 0.000 5.676 6.490) 8.622 29.988 ( -0.000 5.761 5.628) 8.054 30.499 ( -0.000 -0.970 1.828) 2.069 30.562 ( 0.000 2.201 0.649) 2.295 31.050 ( -0.000 -3.576 -2.107) 4.151 31.170 ( -0.000 1.074 -2.550) 2.767 31.262 ( -0.000 -5.753 -5.512) 7.967 31.381 ( 0.000 -4.984 -0.954) 5.074 31.793 ( -0.000 0.352 -10.791) 10.797 31.864 ( -0.000 0.273 -9.056) 9.060 32.441 ( -0.000 0.225 -13.822) 13.824 32.544 ( 0.000 3.945 -12.543) 13.149 ======================= Grid point 84 (33/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 -18.248 11.402) 21.517 1.690 ( 0.000 18.248 11.402) 21.517 2.050 ( 0.000 -7.950 29.335) 30.393 2.050 ( 0.000 7.950 29.335) 30.393 2.405 ( 0.000 -3.272 23.329) 23.558 2.405 ( 0.000 3.272 23.329) 23.558 3.078 ( 0.000 -12.666 5.322) 13.738 3.078 ( 0.000 12.666 5.322) 13.738 3.433 ( 0.000 -4.821 14.704) 15.474 3.433 ( 0.000 4.821 14.704) 15.474 3.693 ( 0.000 -5.120 14.632) 15.502 3.693 ( 0.000 5.120 14.632) 15.502 3.876 ( 0.000 -4.271 7.496) 8.627 3.876 ( 0.000 4.271 7.496) 8.627 4.282 ( 0.000 -2.592 -0.982) 2.772 4.282 ( 0.000 2.592 -0.982) 2.772 4.594 ( 0.000 -1.423 0.145) 1.431 4.594 ( 0.000 1.423 0.145) 1.431 4.711 ( 0.000 -0.545 1.640) 1.728 4.711 ( 0.000 0.545 1.640) 1.728 4.878 ( 0.000 -0.766 -1.786) 1.943 4.878 ( 0.000 0.766 -1.786) 1.943 5.112 ( 0.000 -0.210 -11.116) 11.118 5.112 ( 0.000 0.210 -11.116) 11.118 5.341 ( 0.000 -0.188 -8.486) 8.488 5.341 ( 0.000 0.188 -8.486) 8.488 5.471 ( 0.000 -5.456 3.990) 6.760 5.471 ( 0.000 5.456 3.990) 6.760 5.706 ( 0.000 -5.287 -0.574) 5.318 5.706 ( 0.000 5.287 -0.574) 5.318 6.004 ( 0.000 -3.472 -0.723) 3.547 6.004 ( 0.000 3.472 -0.723) 3.547 6.205 ( 0.000 -1.372 -0.861) 1.620 6.205 ( 0.000 1.372 -0.861) 1.620 6.431 ( 0.000 -6.968 -1.248) 7.079 6.431 ( 0.000 6.968 -1.248) 7.079 6.872 ( 0.000 -4.560 2.405) 5.156 6.872 ( 0.000 4.560 2.405) 5.156 7.054 ( 0.000 -8.543 5.703) 10.271 7.054 ( 0.000 8.543 5.703) 10.271 7.347 ( 0.000 -0.235 1.611) 1.628 7.347 ( 0.000 0.235 1.611) 1.628 7.465 ( 0.000 -6.565 -3.890) 7.631 7.465 ( 0.000 6.565 -3.890) 7.631 7.895 ( 0.000 -0.851 2.068) 2.236 7.895 ( 0.000 0.851 2.068) 2.236 8.428 ( 0.000 -4.287 10.976) 11.784 8.428 ( 0.000 4.287 10.976) 11.784 8.628 ( 0.000 -4.447 7.889) 9.056 8.628 ( 0.000 4.447 7.889) 9.056 8.779 ( 0.000 -5.318 -12.695) 13.764 8.779 ( 0.000 5.318 -12.695) 13.764 9.845 ( 0.000 -0.017 4.865) 4.865 9.845 ( 0.000 0.017 4.865) 4.865 10.104 ( 0.000 -1.062 16.972) 17.005 10.104 ( 0.000 1.062 16.972) 17.005 10.719 ( 0.000 -0.859 -2.793) 2.922 10.719 ( 0.000 0.859 -2.793) 2.922 10.996 ( 0.000 -0.539 1.952) 2.025 10.996 ( 0.000 0.539 1.952) 2.025 11.664 ( 0.000 -1.111 -1.998) 2.286 11.664 ( 0.000 1.111 -1.998) 2.286 12.134 ( 0.000 -1.061 17.241) 17.273 12.134 ( 0.000 1.061 17.241) 17.273 12.888 ( 0.000 -3.426 -4.399) 5.576 12.888 ( 0.000 3.426 -4.399) 5.576 13.146 ( 0.000 -2.066 -4.118) 4.607 13.146 ( 0.000 2.066 -4.118) 4.607 13.573 ( 0.000 -0.712 -18.058) 18.072 13.573 ( 0.000 0.712 -18.058) 18.072 13.970 ( 0.000 -1.354 -19.434) 19.481 13.970 ( 0.000 1.354 -19.434) 19.481 14.040 ( 0.000 -1.922 -15.904) 16.020 14.040 ( 0.000 1.922 -15.904) 16.020 14.975 ( 0.000 -0.501 -22.120) 22.126 14.975 ( 0.000 0.501 -22.120) 22.126 16.495 ( 0.000 -8.796 33.774) 34.900 16.495 ( 0.000 8.796 33.774) 34.900 18.302 ( 0.000 -1.197 33.216) 33.238 18.302 ( 0.000 1.197 33.216) 33.238 19.675 ( 0.000 -1.340 -26.629) 26.663 19.675 ( 0.000 1.340 -26.629) 26.663 21.970 ( 0.000 -0.022 -10.754) 10.754 21.970 ( 0.000 0.022 -10.754) 10.754 22.487 ( 0.000 -0.439 9.635) 9.645 22.487 ( 0.000 0.439 9.635) 9.645 23.122 ( 0.000 -1.173 17.199) 17.239 23.122 ( 0.000 1.173 17.199) 17.239 28.565 ( 0.000 -0.268 1.920) 1.939 28.565 ( 0.000 0.268 1.920) 1.939 28.619 ( 0.000 -0.002 -1.598) 1.598 28.619 ( 0.000 0.002 -1.598) 1.598 28.863 ( 0.000 -3.985 15.494) 15.999 28.863 ( 0.000 3.985 15.494) 15.999 29.781 ( 0.000 -13.329 18.574) 22.862 29.781 ( 0.000 13.329 18.574) 22.862 29.939 ( 0.000 -15.274 13.062) 20.098 29.939 ( 0.000 15.274 13.062) 20.098 30.229 ( 0.000 -1.918 2.338) 3.024 30.229 ( 0.000 1.918 2.338) 3.024 31.058 ( 0.000 -3.619 -3.160) 4.804 31.058 ( 0.000 3.619 -3.160) 4.804 31.294 ( 0.000 -2.574 -3.012) 3.962 31.294 ( 0.000 2.574 -3.012) 3.962 31.397 ( 0.000 -3.132 -1.800) 3.612 31.397 ( 0.000 3.132 -1.800) 3.612 33.054 ( 0.000 -8.892 -30.008) 31.298 33.054 ( 0.000 8.892 -30.008) 31.298 ======================= Grid point 86 (34/72) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -1.632 0.000 13.236) 13.336 1.693 ( 2.572 -0.000 14.392) 14.620 1.867 ( 8.000 0.000 13.669) 15.838 2.030 ( 6.975 0.000 12.653) 14.448 2.844 ( 0.130 0.000 20.847) 20.847 2.887 ( 11.071 -0.000 15.520) 19.064 2.998 ( 3.342 0.000 15.642) 15.996 3.080 ( 28.103 0.000 16.320) 32.498 3.237 ( -8.515 0.000 12.525) 15.145 3.515 ( 0.872 0.000 13.008) 13.037 3.632 ( 0.722 0.000 13.615) 13.634 3.742 ( -2.667 0.000 5.619) 6.219 3.890 ( 6.848 0.000 8.013) 10.541 3.965 ( 3.991 0.000 4.201) 5.795 4.221 ( -6.745 0.000 1.606) 6.934 4.295 ( 2.509 0.000 2.199) 3.336 4.568 ( -2.183 0.000 -3.701) 4.297 4.593 ( -7.143 0.000 -5.950) 9.297 4.651 ( 0.012 -0.000 4.318) 4.318 4.722 ( -1.291 0.000 12.253) 12.321 4.874 ( 10.754 0.000 -6.154) 12.390 5.018 ( -3.291 0.000 -8.872) 9.463 5.135 ( 9.189 0.000 -2.891) 9.633 5.174 ( 1.195 0.000 -9.668) 9.741 5.286 ( -4.425 0.000 -7.582) 8.779 5.337 ( -0.147 0.000 5.732) 5.734 5.434 ( -3.018 -0.000 -8.788) 9.292 5.519 ( 3.949 0.000 2.828) 4.857 5.619 ( -1.619 0.000 -1.790) 2.413 5.700 ( -4.839 0.000 -0.605) 4.877 5.945 ( -0.346 0.000 0.450) 0.568 6.040 ( -4.947 0.000 -6.367) 8.063 6.111 ( -10.655 0.000 -0.386) 10.662 6.136 ( -7.339 -0.000 -1.314) 7.456 6.314 ( -5.154 -0.000 -2.486) 5.722 6.314 ( -1.015 0.000 3.673) 3.810 6.807 ( -3.166 0.000 4.711) 5.676 6.858 ( -13.452 -0.000 -6.171) 14.800 7.015 ( -9.638 0.000 9.438) 13.489 7.064 ( -19.910 0.000 -3.161) 20.159 7.191 ( 4.500 0.000 0.622) 4.543 7.198 ( 4.087 -0.000 3.705) 5.516 7.400 ( 1.802 -0.000 6.686) 6.925 7.467 ( 0.236 0.000 6.959) 6.963 8.068 ( 7.497 0.000 4.661) 8.828 8.163 ( 14.833 0.000 10.688) 18.283 8.360 ( -3.571 0.000 10.473) 11.065 8.444 ( -3.468 -0.000 11.300) 11.820 8.553 ( -3.185 -0.000 4.773) 5.738 8.583 ( 1.550 0.000 4.603) 4.857 8.870 ( 11.939 0.000 -11.793) 16.781 8.991 ( 11.424 0.000 -11.169) 15.977 9.621 ( -9.883 0.000 9.432) 13.662 9.798 ( -7.480 0.000 7.053) 10.281 10.121 ( 0.981 0.000 6.994) 7.062 10.241 ( 5.498 0.000 11.124) 12.409 10.656 ( -2.605 0.000 1.856) 3.199 10.788 ( 2.255 0.000 -4.387) 4.932 10.947 ( -1.732 0.000 4.221) 4.562 11.022 ( -1.061 0.000 0.998) 1.456 11.592 ( -1.663 0.000 -0.205) 1.675 11.787 ( 5.550 0.000 -2.098) 5.934 12.092 ( -2.989 0.000 10.805) 11.210 12.113 ( 0.171 0.000 13.372) 13.373 12.761 ( -6.306 0.000 0.290) 6.312 12.829 ( -6.690 0.000 -3.496) 7.548 13.177 ( -0.337 0.000 -7.724) 7.732 13.229 ( 3.652 0.000 -6.639) 7.577 13.533 ( -2.495 0.000 -14.153) 14.371 13.573 ( 1.440 0.000 -13.438) 13.515 13.845 ( -1.319 -0.000 -22.108) 22.147 13.854 ( 0.058 0.000 -24.923) 24.923 14.248 ( 11.973 0.000 -18.797) 22.286 14.308 ( 9.751 0.000 -19.512) 21.813 14.961 ( -1.590 0.000 -19.168) 19.234 14.963 ( -0.663 -0.000 -19.209) 19.221 16.580 ( 8.206 0.000 32.378) 33.402 16.581 ( 8.156 -0.000 32.926) 33.922 18.016 ( -20.144 0.000 27.421) 34.025 18.107 ( -19.538 0.000 27.213) 33.500 19.877 ( 21.063 0.000 -18.878) 28.285 19.991 ( 22.389 0.000 -19.228) 29.513 21.922 ( -7.866 0.000 -8.833) 11.828 21.931 ( -6.028 -0.000 -10.118) 11.778 22.440 ( -0.287 0.000 8.832) 8.836 22.445 ( -2.165 0.000 9.602) 9.843 23.082 ( -3.098 -0.000 16.646) 16.932 23.091 ( -3.795 0.000 15.443) 15.902 28.543 ( -0.772 0.000 2.104) 2.241 28.545 ( -0.766 -0.000 1.215) 1.436 28.637 ( 0.376 0.000 -0.394) 0.545 28.642 ( 0.598 0.000 -0.471) 0.761 28.925 ( 6.436 0.000 14.619) 15.974 28.938 ( 6.257 -0.000 14.298) 15.607 29.712 ( -5.396 -0.000 11.087) 12.331 29.759 ( -7.672 0.000 6.794) 10.247 29.946 ( 5.900 -0.000 17.549) 18.514 29.989 ( 2.555 0.000 11.758) 12.033 30.268 ( 4.316 -0.000 4.872) 6.509 30.311 ( 7.369 0.000 6.123) 9.581 31.033 ( -0.430 0.000 -4.066) 4.089 31.108 ( 2.461 0.000 -3.485) 4.266 31.275 ( -1.762 -0.000 -2.819) 3.325 31.281 ( -0.575 0.000 -3.261) 3.312 31.481 ( 8.520 0.000 -2.953) 9.017 31.501 ( 8.138 0.000 -2.586) 8.540 32.912 ( -11.724 0.000 -26.428) 28.912 32.964 ( -9.299 0.000 -25.908) 27.526 ======================= Grid point 88 (35/72) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 6.333 0.000 15.416) 16.667 1.819 ( 10.378 -0.000 20.332) 22.827 2.232 ( 26.921 0.000 -2.017) 26.996 2.450 ( 27.523 0.000 -0.713) 27.532 2.597 ( -13.870 0.000 14.865) 20.331 2.655 ( -9.247 0.000 10.482) 13.977 3.115 ( -2.329 0.000 12.162) 12.383 3.212 ( -2.344 0.000 11.086) 11.331 3.442 ( 0.074 0.000 8.744) 8.744 3.636 ( -8.598 0.000 7.096) 11.148 3.826 ( 21.715 0.000 13.890) 25.777 3.843 ( -3.526 0.000 -6.477) 7.375 3.887 ( 4.333 0.000 8.538) 9.574 4.030 ( 6.447 0.000 5.646) 8.570 4.094 ( -3.117 0.000 -2.561) 4.034 4.353 ( 4.170 0.000 8.826) 9.762 4.443 ( -4.792 0.000 -0.804) 4.859 4.589 ( 4.612 -0.000 -0.982) 4.715 4.664 ( -1.407 0.000 2.230) 2.637 4.704 ( 4.223 -0.000 -0.637) 4.271 4.892 ( -6.682 0.000 -7.873) 10.326 5.034 ( 2.286 0.000 -0.288) 2.304 5.147 ( -2.145 -0.000 -6.726) 7.060 5.186 ( -2.299 0.000 3.451) 4.146 5.294 ( 3.490 0.000 2.516) 4.302 5.345 ( 1.133 0.000 7.156) 7.245 5.410 ( 0.889 0.000 -9.538) 9.579 5.519 ( -3.393 0.000 -2.601) 4.275 5.629 ( 0.649 0.000 -1.715) 1.833 5.703 ( -0.971 0.000 -4.999) 5.092 5.811 ( -12.412 0.000 -5.844) 13.719 5.829 ( -3.169 -0.000 -0.401) 3.194 6.000 ( 0.047 0.000 0.068) 0.083 6.059 ( -2.702 -0.000 2.343) 3.577 6.278 ( -11.024 -0.000 -0.828) 11.055 6.295 ( 3.423 0.000 4.292) 5.490 6.542 ( -1.136 0.000 3.102) 3.303 6.580 ( -20.903 0.000 2.305) 21.030 6.760 ( -5.387 0.000 4.308) 6.897 6.884 ( -7.067 0.000 9.431) 11.785 7.250 ( 0.022 0.000 -2.000) 2.000 7.318 ( 5.984 0.000 2.752) 6.586 7.449 ( 1.198 -0.000 6.676) 6.783 7.468 ( -0.265 0.000 9.125) 9.129 8.150 ( 1.847 0.000 8.862) 9.052 8.300 ( 0.131 0.000 12.637) 12.637 8.356 ( -3.151 -0.000 15.246) 15.568 8.391 ( 5.200 0.000 15.115) 15.984 8.508 ( 0.180 0.000 6.515) 6.517 8.662 ( 3.905 0.000 8.147) 9.035 9.085 ( -2.957 0.000 -0.517) 3.002 9.197 ( 13.531 0.000 -8.467) 15.962 9.613 ( 9.711 0.000 -2.356) 9.993 9.670 ( 0.015 0.000 3.752) 3.752 10.081 ( -5.725 0.000 -1.883) 6.027 10.222 ( -8.204 0.000 3.322) 8.852 10.626 ( 0.405 0.000 5.844) 5.858 10.793 ( -0.164 0.000 1.485) 1.494 10.914 ( -2.699 0.000 4.627) 5.356 10.942 ( -6.183 0.000 1.747) 6.426 11.614 ( 4.011 0.000 -1.819) 4.404 11.859 ( 2.551 0.000 -2.364) 3.478 12.027 ( -3.920 0.000 -0.149) 3.923 12.169 ( 2.573 0.000 3.876) 4.653 12.703 ( 1.328 0.000 6.344) 6.482 12.742 ( 0.802 0.000 0.304) 0.858 13.088 ( -7.071 0.000 -11.089) 13.151 13.137 ( -10.024 0.000 -7.947) 12.792 13.613 ( 7.877 0.000 -14.018) 16.080 13.663 ( 6.093 0.000 -13.431) 14.749 13.871 ( 1.156 -0.000 -24.818) 24.845 13.906 ( 2.727 0.000 -26.485) 26.625 14.415 ( 2.085 -0.000 -25.419) 25.504 14.433 ( 6.164 0.000 -24.079) 24.855 14.916 ( -2.525 0.000 -11.294) 11.573 14.949 ( -0.899 0.000 -11.872) 11.906 16.814 ( 14.209 0.000 29.756) 32.975 16.819 ( 14.817 -0.000 28.853) 32.436 17.583 ( -21.070 0.000 24.610) 32.397 17.650 ( -23.025 0.000 23.276) 32.740 20.390 ( 26.649 0.000 -10.988) 28.825 20.483 ( 24.136 0.000 -12.023) 26.965 21.607 ( -20.797 0.000 -4.631) 21.307 21.659 ( -18.783 0.000 -7.898) 20.376 22.493 ( 5.756 0.000 9.259) 10.902 22.538 ( 8.237 0.000 6.094) 10.246 22.975 ( -7.123 0.000 12.674) 14.539 22.998 ( -4.765 0.000 13.298) 14.126 28.541 ( 0.377 0.000 2.102) 2.135 28.550 ( 1.135 0.000 1.196) 1.649 28.622 ( -1.522 0.000 0.957) 1.798 28.637 ( -0.802 0.000 0.956) 1.247 29.095 ( 8.500 -0.000 12.705) 15.287 29.096 ( 9.504 0.000 12.183) 15.452 29.555 ( -8.973 -0.000 9.024) 12.725 29.563 ( -10.402 0.000 8.015) 13.131 30.032 ( 1.232 -0.000 6.096) 6.219 30.041 ( 2.405 0.000 6.634) 7.057 30.398 ( 7.090 -0.000 7.500) 10.321 30.492 ( 8.571 0.000 5.321) 10.089 31.023 ( -0.793 0.000 -4.359) 4.430 31.153 ( 1.905 -0.000 -4.331) 4.731 31.230 ( -2.338 0.000 -2.650) 3.534 31.283 ( 0.684 0.000 -2.563) 2.652 31.691 ( 9.371 0.000 -6.354) 11.322 31.703 ( 11.868 -0.000 -5.692) 13.162 32.631 ( -14.058 0.000 -19.351) 23.918 32.732 ( -11.507 0.000 -17.985) 21.351 ======================= Grid point 90 (36/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 0.000 21.107) 21.107 2.020 ( -0.000 0.000 22.921) 22.921 2.314 ( 0.000 0.000 17.390) 17.390 2.438 ( 0.000 0.000 7.285) 7.285 2.839 ( 0.000 0.000 7.947) 7.947 3.067 ( 0.000 0.000 -8.057) 8.057 3.070 ( -0.000 -0.000 14.454) 14.454 3.160 ( -0.000 0.000 4.069) 4.069 3.254 ( 0.000 0.000 -6.482) 6.482 3.377 ( -0.000 0.000 -20.179) 20.179 3.589 ( 0.000 0.000 4.709) 4.709 4.007 ( -0.000 0.000 6.334) 6.334 4.016 ( 0.000 0.000 3.695) 3.695 4.060 ( 0.000 0.000 -3.915) 3.915 4.106 ( 0.000 0.000 7.755) 7.755 4.435 ( 0.000 0.000 5.065) 5.065 4.529 ( -0.000 0.000 7.086) 7.086 4.636 ( 0.000 -0.000 10.909) 10.909 4.681 ( 0.000 0.000 1.866) 1.866 4.717 ( 0.000 0.000 -9.228) 9.228 4.890 ( 0.000 0.000 -7.670) 7.670 5.082 ( 0.000 0.000 -14.442) 14.442 5.103 ( 0.000 0.000 3.351) 3.351 5.160 ( 0.000 0.000 12.732) 12.732 5.331 ( 0.000 0.000 1.377) 1.377 5.358 ( -0.000 0.000 3.828) 3.828 5.392 ( 0.000 0.000 -6.458) 6.458 5.437 ( -0.000 0.000 -2.278) 2.278 5.600 ( 0.000 -0.000 11.219) 11.219 5.623 ( 0.000 0.000 -5.017) 5.017 5.667 ( -0.000 0.000 -2.486) 2.486 5.884 ( -0.000 0.000 2.783) 2.783 6.062 ( 0.000 0.000 -2.439) 2.439 6.074 ( -0.000 0.000 0.295) 0.295 6.118 ( -0.000 0.000 1.037) 1.037 6.148 ( 0.000 0.000 2.642) 2.642 6.480 ( 0.000 0.000 7.688) 7.688 6.633 ( -0.000 0.000 2.494) 2.494 6.655 ( 0.000 0.000 6.011) 6.011 6.747 ( -0.000 0.000 6.077) 6.077 7.244 ( 0.000 0.000 -2.777) 2.777 7.400 ( 0.000 0.000 3.197) 3.197 7.443 ( -0.000 0.000 6.613) 6.613 7.461 ( 0.000 -0.000 8.610) 8.610 8.170 ( 0.000 0.000 6.222) 6.222 8.301 ( 0.000 0.000 14.244) 14.244 8.324 ( 0.000 0.000 20.297) 20.297 8.422 ( -0.000 0.000 10.544) 10.544 8.554 ( 0.000 0.000 10.783) 10.783 8.707 ( 0.000 0.000 9.761) 9.761 9.025 ( -0.000 0.000 5.188) 5.188 9.271 ( 0.000 0.000 3.998) 3.998 9.835 ( 0.000 0.000 -3.453) 3.453 9.908 ( 0.000 0.000 -9.836) 9.836 9.918 ( -0.000 0.000 -9.548) 9.548 9.945 ( -0.000 0.000 3.176) 3.176 10.656 ( 0.000 0.000 8.436) 8.436 10.817 ( 0.000 0.000 -1.113) 1.113 10.846 ( -0.000 0.000 0.793) 0.793 10.852 ( 0.000 -0.000 10.502) 10.502 11.688 ( 0.000 0.000 -5.117) 5.117 11.897 ( -0.000 0.000 -6.783) 6.783 11.961 ( 0.000 0.000 -1.594) 1.594 12.177 ( -0.000 0.000 4.307) 4.307 12.755 ( 0.000 0.000 10.191) 10.191 12.835 ( 0.000 0.000 5.253) 5.253 12.958 ( 0.000 0.000 -11.704) 11.704 12.979 ( 0.000 0.000 -14.399) 14.399 13.722 ( -0.000 0.000 -13.978) 13.978 13.744 ( -0.000 0.000 -13.986) 13.986 13.867 ( 0.000 0.000 -26.381) 26.381 13.927 ( 0.000 0.000 -26.804) 26.804 14.435 ( -0.000 0.000 -28.947) 28.947 14.500 ( 0.000 0.000 -28.781) 28.781 14.883 ( 0.000 0.000 -5.045) 5.045 14.935 ( 0.000 0.000 -7.320) 7.320 17.092 ( 0.000 0.000 26.714) 26.714 17.114 ( 0.000 0.000 25.822) 25.822 17.234 ( -0.000 0.000 25.474) 25.474 17.269 ( -0.000 0.000 23.906) 23.906 20.791 ( 0.000 0.000 -8.154) 8.154 20.829 ( 0.000 0.000 -7.752) 7.752 21.263 ( -0.000 0.000 -4.546) 4.546 21.361 ( -0.000 0.000 -9.369) 9.369 22.578 ( 0.000 0.000 11.132) 11.132 22.671 ( 0.000 0.000 7.520) 7.520 22.859 ( -0.000 0.000 10.010) 10.010 22.931 ( 0.000 0.000 10.251) 10.251 28.547 ( -0.000 0.000 2.165) 2.165 28.583 ( -0.000 0.000 1.704) 1.704 28.586 ( 0.000 0.000 0.824) 0.824 28.625 ( 0.000 0.000 1.341) 1.341 29.225 ( -0.000 -0.000 11.083) 11.083 29.253 ( 0.000 0.000 9.406) 9.406 29.396 ( -0.000 0.000 10.851) 10.851 29.418 ( -0.000 0.000 10.454) 10.454 30.043 ( 0.000 0.000 4.502) 4.502 30.061 ( 0.000 0.000 4.142) 4.142 30.483 ( -0.000 0.000 6.128) 6.128 30.591 ( -0.000 0.000 2.713) 2.713 31.011 ( 0.000 0.000 -4.224) 4.224 31.184 ( 0.000 -0.000 -1.626) 1.626 31.192 ( -0.000 0.000 -5.500) 5.500 31.294 ( 0.000 0.000 -1.876) 1.876 31.809 ( -0.000 0.000 -9.581) 9.581 31.863 ( -0.000 0.000 -8.094) 8.094 32.447 ( 0.000 0.000 -15.196) 15.196 32.590 ( 0.000 0.000 -13.259) 13.259 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 0.000 29.750) 29.750 2.314 ( 0.000 0.000 13.865) 13.865 2.477 ( 0.000 0.000 27.956) 27.956 2.505 ( 0.000 0.000 18.222) 18.222 2.777 ( 0.000 0.000 11.991) 11.991 3.164 ( 0.000 0.000 21.085) 21.085 3.193 ( 0.000 0.000 7.686) 7.686 3.202 ( 0.000 0.000 18.152) 18.152 3.266 ( 0.000 0.000 2.523) 2.523 3.694 ( 0.000 0.000 -5.233) 5.233 3.813 ( 0.000 0.000 4.695) 4.695 3.936 ( 0.000 0.000 5.690) 5.690 4.016 ( 0.000 0.000 13.929) 13.929 4.206 ( 0.000 0.000 -2.706) 2.706 4.240 ( 0.000 0.000 3.080) 3.080 4.443 ( 0.000 0.000 -10.249) 10.249 4.531 ( 0.000 0.000 -3.347) 3.347 4.561 ( 0.000 0.000 7.731) 7.731 4.645 ( 0.000 0.000 5.077) 5.077 4.809 ( 0.000 0.000 -4.221) 4.221 4.832 ( 0.000 0.000 -7.646) 7.646 4.885 ( 0.000 0.000 2.402) 2.402 4.977 ( 0.000 0.000 2.351) 2.351 5.057 ( 0.000 0.000 -7.101) 7.101 5.225 ( 0.000 0.000 2.853) 2.853 5.258 ( 0.000 0.000 -5.092) 5.092 5.281 ( 0.000 0.000 -2.231) 2.231 5.548 ( 0.000 0.000 8.217) 8.217 5.698 ( 0.000 0.000 -6.512) 6.512 5.812 ( 0.000 0.000 3.612) 3.612 5.827 ( 0.000 0.000 -10.922) 10.922 5.939 ( 0.000 0.000 -6.752) 6.752 6.280 ( 0.000 0.000 8.843) 8.843 6.336 ( 0.000 0.000 -4.283) 4.283 6.447 ( 0.000 0.000 -1.355) 1.355 6.478 ( 0.000 0.000 -8.562) 8.562 6.763 ( 0.000 0.000 4.881) 4.881 6.788 ( 0.000 0.000 -9.633) 9.633 6.994 ( 0.000 0.000 8.357) 8.357 7.167 ( 0.000 0.000 -1.026) 1.026 7.287 ( 0.000 0.000 6.778) 6.778 7.317 ( 0.000 0.000 -6.913) 6.913 7.506 ( 0.000 0.000 1.512) 1.512 7.708 ( 0.000 0.000 -13.750) 13.750 7.886 ( 0.000 0.000 19.090) 19.090 7.946 ( 0.000 0.000 4.536) 4.536 8.524 ( 0.000 0.000 13.285) 13.285 8.547 ( 0.000 0.000 5.219) 5.219 8.686 ( 0.000 0.000 12.213) 12.213 8.781 ( 0.000 0.000 12.007) 12.007 8.807 ( 0.000 0.000 8.338) 8.338 8.948 ( 0.000 0.000 7.331) 7.331 9.949 ( 0.000 0.000 8.766) 8.766 9.986 ( 0.000 0.000 9.713) 9.713 10.313 ( 0.000 0.000 14.398) 14.398 10.493 ( 0.000 0.000 18.027) 18.027 10.738 ( 0.000 0.000 -1.368) 1.368 10.940 ( 0.000 0.000 8.607) 8.607 10.953 ( 0.000 0.000 3.142) 3.142 11.003 ( 0.000 0.000 1.326) 1.326 11.472 ( 0.000 0.000 -6.971) 6.971 11.668 ( 0.000 0.000 -4.020) 4.020 12.421 ( 0.000 0.000 6.845) 6.845 12.447 ( 0.000 0.000 14.574) 14.574 12.777 ( 0.000 0.000 -24.048) 24.048 12.857 ( 0.000 0.000 -23.135) 23.135 12.905 ( 0.000 0.000 5.854) 5.854 13.053 ( 0.000 0.000 -0.573) 0.573 13.130 ( 0.000 0.000 -15.077) 15.077 13.154 ( 0.000 0.000 -20.965) 20.965 13.533 ( 0.000 0.000 -20.099) 20.099 13.557 ( 0.000 0.000 -19.699) 19.699 13.704 ( 0.000 0.000 -9.738) 9.738 13.773 ( 0.000 0.000 -16.822) 16.822 14.489 ( 0.000 0.000 -21.848) 21.848 14.551 ( 0.000 0.000 -20.648) 20.648 17.018 ( 0.000 0.000 32.138) 32.138 17.469 ( 0.000 0.000 24.962) 24.962 19.038 ( 0.000 0.000 38.135) 38.135 19.079 ( 0.000 0.000 -22.522) 22.522 19.087 ( 0.000 0.000 33.066) 33.066 19.222 ( 0.000 0.000 -22.183) 22.183 21.646 ( 0.000 0.000 -20.129) 20.129 21.657 ( 0.000 0.000 -18.834) 18.834 22.726 ( 0.000 0.000 12.293) 12.293 22.744 ( 0.000 0.000 13.517) 13.517 23.340 ( 0.000 0.000 8.144) 8.144 23.375 ( 0.000 0.000 7.951) 7.951 28.588 ( 0.000 0.000 -1.080) 1.080 28.591 ( 0.000 0.000 0.499) 0.499 28.592 ( 0.000 0.000 -1.073) 1.073 28.605 ( 0.000 0.000 0.555) 0.555 29.111 ( 0.000 0.000 17.113) 17.113 29.410 ( 0.000 0.000 17.979) 17.979 29.758 ( 0.000 0.000 16.434) 16.434 29.864 ( 0.000 0.000 8.655) 8.655 30.163 ( 0.000 0.000 -0.354) 0.354 30.183 ( 0.000 0.000 8.331) 8.331 30.184 ( 0.000 0.000 -0.709) 0.709 30.752 ( 0.000 0.000 -8.321) 8.321 31.034 ( 0.000 0.000 6.545) 6.545 31.093 ( 0.000 0.000 -4.246) 4.246 31.163 ( 0.000 0.000 -9.603) 9.603 31.196 ( 0.000 0.000 -1.259) 1.259 31.607 ( 0.000 0.000 0.039) 0.039 31.673 ( 0.000 0.000 -6.566) 6.566 31.852 ( 0.000 0.000 -4.823) 4.823 32.595 ( 0.000 0.000 -25.942) 25.942 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -14.185 0.000 19.772) 24.334 1.986 ( 9.050 0.000 27.017) 28.492 2.369 ( 0.115 0.000 10.834) 10.835 2.550 ( -10.059 0.000 13.712) 17.006 3.031 ( 7.872 0.000 11.760) 14.151 3.176 ( -0.207 0.000 10.826) 10.828 3.189 ( -6.726 0.000 1.784) 6.958 3.359 ( 21.463 0.000 18.940) 28.625 3.362 ( 0.169 0.000 2.632) 2.638 3.580 ( 2.248 0.000 4.450) 4.986 3.845 ( -7.414 0.000 2.029) 7.687 3.905 ( 1.368 0.000 0.341) 1.410 3.937 ( -7.768 0.000 11.155) 13.594 4.172 ( -5.798 0.000 1.855) 6.088 4.210 ( 3.776 0.000 4.788) 6.098 4.438 ( -2.695 0.000 -2.237) 3.502 4.462 ( -12.074 0.000 -1.100) 12.124 4.530 ( 5.046 0.000 -4.753) 6.932 4.649 ( 1.528 0.000 -0.626) 1.651 4.733 ( -8.203 0.000 2.214) 8.497 4.850 ( 4.659 0.000 -0.063) 4.659 4.904 ( 3.042 0.000 -6.915) 7.555 5.053 ( 2.117 0.000 -5.575) 5.964 5.099 ( 4.405 0.000 -1.351) 4.608 5.201 ( 4.355 0.000 -4.838) 6.509 5.289 ( 0.293 0.000 2.253) 2.272 5.493 ( 8.131 0.000 3.072) 8.692 5.568 ( -1.858 0.000 1.198) 2.211 5.683 ( 0.958 0.000 -6.747) 6.815 5.766 ( 0.007 0.000 1.252) 1.252 5.896 ( 6.546 0.000 -0.680) 6.581 5.909 ( -4.937 0.000 -5.159) 7.141 6.147 ( -6.628 0.000 2.124) 6.961 6.153 ( -19.418 0.000 -7.063) 20.663 6.333 ( -3.838 0.000 4.346) 5.799 6.446 ( 2.797 0.000 -2.257) 3.594 6.757 ( -2.012 0.000 -1.956) 2.806 6.763 ( -7.496 0.000 12.543) 14.612 6.907 ( 1.109 0.000 2.273) 2.529 7.076 ( -4.646 0.000 7.355) 8.699 7.188 ( -5.838 0.000 -3.731) 6.928 7.380 ( -6.657 0.000 4.673) 8.133 7.605 ( 6.768 0.000 11.767) 13.574 7.850 ( -2.348 0.000 18.425) 18.574 8.050 ( 13.875 0.000 -8.660) 16.355 8.084 ( 24.348 0.000 -11.193) 26.798 8.516 ( 0.340 0.000 10.334) 10.340 8.529 ( -1.825 0.000 3.972) 4.371 8.718 ( 2.604 0.000 11.354) 11.649 8.770 ( 2.413 0.000 17.352) 17.519 8.946 ( 0.204 0.000 7.201) 7.204 8.946 ( 9.165 0.000 4.238) 10.097 9.865 ( -6.698 0.000 11.337) 13.167 9.892 ( -7.564 0.000 11.658) 13.897 10.316 ( -1.237 0.000 11.966) 12.030 10.480 ( -2.577 0.000 14.253) 14.484 10.699 ( -1.395 0.000 0.036) 1.396 10.906 ( -2.141 0.000 4.052) 4.583 10.963 ( 0.666 0.000 7.440) 7.470 11.072 ( 2.658 0.000 2.414) 3.591 11.473 ( 0.757 0.000 -7.193) 7.233 11.719 ( 3.079 0.000 -4.042) 5.081 12.225 ( -13.751 0.000 -2.158) 13.919 12.278 ( -12.792 0.000 4.669) 13.617 12.781 ( -1.433 0.000 -12.950) 13.029 12.809 ( -5.263 0.000 1.406) 5.447 12.932 ( 3.009 0.000 -20.757) 20.974 13.018 ( -1.072 0.000 -10.829) 10.882 13.231 ( 7.375 0.000 -10.228) 12.610 13.242 ( 4.108 0.000 -13.199) 13.824 13.409 ( -6.481 0.000 -16.113) 17.367 13.456 ( -2.544 0.000 -14.637) 14.857 13.822 ( 5.690 0.000 -17.533) 18.433 13.876 ( 4.793 0.000 -21.440) 21.969 14.551 ( 5.313 0.000 -18.763) 19.500 14.594 ( 3.833 0.000 -17.620) 18.032 17.088 ( 6.764 0.000 30.944) 31.674 17.491 ( 2.330 0.000 24.662) 24.772 18.535 ( -23.477 0.000 12.215) 26.465 18.552 ( -27.400 0.000 13.391) 30.497 19.646 ( 29.746 0.000 4.376) 30.067 19.788 ( 30.495 0.000 -0.720) 30.503 21.635 ( -3.193 0.000 -16.625) 16.929 21.667 ( -0.405 0.000 -18.759) 18.763 22.649 ( -6.543 0.000 13.515) 15.016 22.688 ( -2.368 0.000 11.263) 11.509 23.289 ( -4.918 0.000 7.139) 8.669 23.319 ( -5.491 0.000 6.666) 8.636 28.564 ( -0.736 0.000 0.753) 1.053 28.578 ( -0.268 0.000 -0.024) 0.269 28.619 ( 0.612 0.000 -0.719) 0.944 28.624 ( 1.126 0.000 -1.157) 1.614 29.160 ( 4.497 0.000 16.160) 16.774 29.455 ( 3.973 0.000 16.723) 17.189 29.791 ( -5.994 0.000 9.445) 11.186 29.807 ( 4.467 0.000 14.246) 14.930 30.058 ( -6.135 0.000 6.105) 8.655 30.183 ( -0.836 0.000 1.285) 1.533 30.269 ( 4.499 0.000 3.358) 5.614 30.732 ( -2.415 0.000 -7.005) 7.410 31.014 ( -0.357 0.000 1.624) 1.663 31.043 ( -1.789 0.000 -4.769) 5.093 31.228 ( 2.031 0.000 0.021) 2.031 31.257 ( 5.206 0.000 -10.628) 11.834 31.610 ( 0.480 0.000 0.564) 0.740 31.675 ( 0.001 0.000 -7.106) 7.106 31.882 ( 3.286 0.000 -5.255) 6.198 32.551 ( -4.422 0.000 -23.807) 24.214 ======================= Grid point 107 (39/72) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 22.305 0.000 -3.736) 22.616 2.195 ( 9.807 0.000 18.743) 21.154 2.381 ( 0.894 0.000 16.734) 16.758 2.527 ( 7.519 0.000 2.879) 8.051 2.975 ( -5.089 0.000 13.144) 14.095 3.014 ( -7.767 0.000 3.184) 8.394 3.208 ( 0.682 0.000 3.601) 3.665 3.264 ( -5.079 0.000 0.738) 5.133 3.490 ( -15.731 0.000 -5.644) 16.713 3.530 ( -15.917 0.000 -2.175) 16.065 3.799 ( 0.187 0.000 2.363) 2.371 3.822 ( -8.017 0.000 -1.313) 8.124 3.890 ( 3.836 0.000 8.662) 9.474 4.013 ( -4.748 0.000 2.467) 5.351 4.249 ( -0.986 0.000 5.260) 5.352 4.335 ( 6.879 0.000 6.033) 9.150 4.447 ( -4.504 0.000 -4.902) 6.657 4.540 ( -1.182 0.000 -5.544) 5.668 4.691 ( 3.358 0.000 -6.599) 7.404 4.722 ( 6.781 0.000 1.727) 6.997 4.918 ( 0.010 0.000 -3.513) 3.513 4.949 ( 2.301 0.000 0.145) 2.306 5.070 ( 1.961 0.000 -8.686) 8.905 5.193 ( 5.325 0.000 -6.259) 8.218 5.278 ( 1.172 0.000 1.073) 1.589 5.317 ( 2.399 0.000 1.313) 2.735 5.493 ( -4.930 0.000 -2.857) 5.698 5.514 ( -1.079 0.000 2.839) 3.037 5.718 ( 1.592 0.000 -4.058) 4.359 5.775 ( -1.313 0.000 4.848) 5.023 5.816 ( -8.015 0.000 0.561) 8.035 5.873 ( 1.746 0.000 4.354) 4.691 6.032 ( -1.385 0.000 1.496) 2.039 6.077 ( 2.931 0.000 13.006) 13.332 6.419 ( 10.640 0.000 6.187) 12.307 6.517 ( -1.947 0.000 7.438) 7.689 6.642 ( -4.977 0.000 9.558) 10.776 6.674 ( 1.311 0.000 4.085) 4.290 6.831 ( -8.867 0.000 7.422) 11.563 6.982 ( -3.511 0.000 6.021) 6.970 7.152 ( 1.054 0.000 0.774) 1.307 7.224 ( -6.662 0.000 5.528) 8.657 7.630 ( -0.556 0.000 12.529) 12.542 7.771 ( -5.327 0.000 14.793) 15.723 8.374 ( 11.073 0.000 -5.316) 12.283 8.374 ( 2.928 0.000 3.575) 4.622 8.506 ( 2.024 0.000 3.093) 3.696 8.680 ( 12.549 0.000 11.305) 16.890 8.763 ( 0.374 0.000 1.505) 1.551 8.832 ( 2.088 0.000 19.796) 19.906 8.996 ( 7.157 0.000 0.153) 7.159 9.144 ( 8.388 0.000 -2.241) 8.682 9.767 ( 0.250 0.000 12.505) 12.508 9.775 ( -1.076 0.000 13.090) 13.134 10.220 ( -8.852 0.000 10.980) 14.104 10.332 ( -12.578 0.000 11.507) 17.048 10.716 ( 2.818 0.000 0.920) 2.964 10.864 ( -1.957 0.000 4.474) 4.883 10.945 ( -1.934 0.000 6.890) 7.156 11.043 ( -5.586 0.000 4.042) 6.895 11.518 ( 3.287 0.000 -8.356) 8.979 11.690 ( -5.621 0.000 -6.701) 8.747 12.059 ( -1.758 0.000 -6.803) 7.027 12.073 ( -5.213 0.000 -3.147) 6.089 12.717 ( -3.189 0.000 -3.033) 4.401 12.721 ( -3.103 0.000 -5.936) 6.698 12.960 ( 0.208 0.000 -13.281) 13.282 13.013 ( -0.668 0.000 -14.452) 14.467 13.274 ( 1.257 0.000 -19.382) 19.423 13.322 ( -1.227 0.000 -20.110) 20.147 13.377 ( 5.068 0.000 -9.888) 11.112 13.479 ( 1.257 0.000 -13.391) 13.450 13.901 ( 2.607 0.000 -18.768) 18.948 13.929 ( 1.146 0.000 -20.940) 20.972 14.659 ( 4.241 0.000 -14.201) 14.821 14.675 ( 3.259 0.000 -13.298) 13.692 17.286 ( 12.368 0.000 27.659) 30.299 17.573 ( 5.721 0.000 23.383) 24.073 18.042 ( -22.023 0.000 17.264) 27.983 18.108 ( -18.086 0.000 15.653) 23.919 20.258 ( 29.393 0.000 3.153) 29.561 20.387 ( 27.149 0.000 -0.855) 27.162 21.471 ( -13.294 0.000 -9.819) 16.527 21.500 ( -16.607 0.000 -8.829) 18.808 22.625 ( 5.401 0.000 6.703) 8.608 22.696 ( 3.713 0.000 7.119) 8.030 23.148 ( -8.300 0.000 4.905) 9.641 23.161 ( -9.353 0.000 3.817) 10.102 28.563 ( 0.601 0.000 0.884) 1.069 28.581 ( 0.353 0.000 0.179) 0.396 28.622 ( -0.198 0.000 -0.828) 0.852 28.633 ( -0.176 0.000 -1.003) 1.018 29.280 ( 6.857 0.000 14.023) 15.610 29.526 ( 0.128 0.000 12.088) 12.088 29.687 ( -1.204 0.000 13.449) 13.503 29.902 ( -0.978 0.000 7.852) 7.912 29.941 ( 0.029 0.000 11.364) 11.364 30.135 ( -3.735 0.000 4.207) 5.625 30.371 ( 5.837 0.000 2.305) 6.275 30.644 ( -5.924 0.000 -3.826) 7.052 31.037 ( 0.845 0.000 -4.786) 4.860 31.038 ( 1.905 0.000 -3.857) 4.302 31.260 ( 1.280 0.000 -1.794) 2.204 31.317 ( 0.405 0.000 -10.547) 10.555 31.630 ( 1.237 0.000 -1.234) 1.748 31.669 ( -0.590 0.000 -6.859) 6.884 32.002 ( 8.519 0.000 -7.257) 11.191 32.415 ( -8.748 0.000 -18.449) 20.418 ======================= Grid point 108 (40/72) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -0.407 0.000 17.471) 17.476 2.325 ( 0.407 0.000 17.471) 17.476 2.603 ( -16.054 0.000 -15.306) 22.181 2.603 ( 16.054 0.000 -15.306) 22.181 2.950 ( -0.809 0.000 3.804) 3.889 2.950 ( 0.809 0.000 3.804) 3.889 3.060 ( -3.561 0.000 -4.608) 5.824 3.060 ( 3.561 0.000 -4.608) 5.824 3.300 ( -0.023 0.000 8.799) 8.799 3.300 ( 0.023 0.000 8.799) 8.799 3.734 ( -0.126 0.000 2.091) 2.095 3.734 ( 0.126 0.000 2.091) 2.095 3.952 ( -0.935 0.000 2.814) 2.966 3.952 ( 0.935 0.000 2.814) 2.966 4.329 ( -2.230 0.000 -1.156) 2.511 4.329 ( 2.230 0.000 -1.156) 2.511 4.486 ( -5.521 0.000 -0.371) 5.534 4.486 ( 5.521 0.000 -0.371) 5.534 4.768 ( -2.088 0.000 -5.596) 5.973 4.768 ( 2.088 0.000 -5.596) 5.973 4.937 ( -0.431 0.000 -4.958) 4.977 4.937 ( 0.431 0.000 -4.958) 4.977 5.198 ( -3.229 0.000 -2.714) 4.218 5.198 ( 3.229 0.000 -2.714) 4.218 5.320 ( -2.945 0.000 -4.232) 5.156 5.320 ( 2.945 0.000 -4.232) 5.156 5.464 ( -1.698 0.000 0.975) 1.958 5.464 ( 1.698 0.000 0.975) 1.958 5.709 ( -2.674 0.000 7.700) 8.151 5.709 ( 2.674 0.000 7.700) 8.151 5.847 ( -2.760 0.000 3.260) 4.272 5.847 ( 2.760 0.000 3.260) 4.272 6.094 ( -0.008 0.000 12.767) 12.767 6.094 ( 0.008 0.000 12.767) 12.767 6.440 ( -5.350 0.000 9.145) 10.595 6.440 ( 5.350 0.000 9.145) 10.595 6.690 ( -6.709 0.000 4.669) 8.174 6.690 ( 6.709 0.000 4.669) 8.174 6.839 ( -6.861 0.000 9.293) 11.552 6.839 ( 6.861 0.000 9.293) 11.552 7.168 ( -0.006 0.000 4.746) 4.746 7.168 ( 0.006 0.000 4.746) 4.746 7.659 ( -3.519 0.000 10.791) 11.350 7.659 ( 3.519 0.000 10.791) 11.350 8.411 ( -0.299 0.000 5.163) 5.171 8.411 ( 0.299 0.000 5.163) 5.171 8.668 ( -5.242 0.000 -0.316) 5.252 8.668 ( 5.242 0.000 -0.316) 5.252 8.822 ( -2.418 0.000 19.069) 19.222 8.822 ( 2.418 0.000 19.069) 19.222 9.179 ( -3.221 0.000 -5.387) 6.277 9.179 ( 3.221 0.000 -5.387) 6.277 9.884 ( -3.184 0.000 9.239) 9.773 9.884 ( 3.184 0.000 9.239) 9.773 10.041 ( -4.138 0.000 12.616) 13.277 10.041 ( 4.138 0.000 12.616) 13.277 10.806 ( -3.944 0.000 2.645) 4.749 10.806 ( 3.944 0.000 2.645) 4.749 10.932 ( -0.534 0.000 5.508) 5.534 10.932 ( 0.534 0.000 5.508) 5.534 11.590 ( -2.591 0.000 -9.354) 9.706 11.590 ( 2.591 0.000 -9.354) 9.706 12.045 ( -0.038 0.000 -4.879) 4.879 12.045 ( 0.038 0.000 -4.879) 4.879 12.686 ( -0.011 0.000 -6.081) 6.081 12.686 ( 0.011 0.000 -6.081) 6.081 12.979 ( -1.647 0.000 -9.746) 9.884 12.979 ( 1.647 0.000 -9.746) 9.884 13.305 ( -0.790 0.000 -25.927) 25.939 13.305 ( 0.790 0.000 -25.927) 25.939 13.458 ( -2.721 0.000 -11.459) 11.777 13.458 ( 2.721 0.000 -11.459) 11.777 13.936 ( -0.284 0.000 -18.342) 18.344 13.936 ( 0.284 0.000 -18.342) 18.344 14.707 ( -0.203 0.000 -11.937) 11.938 14.707 ( 0.203 0.000 -11.937) 11.938 17.573 ( -13.633 0.000 23.588) 27.244 17.573 ( 13.633 0.000 23.588) 27.244 17.818 ( -8.172 0.000 18.961) 20.647 17.818 ( 8.172 0.000 18.961) 20.647 20.727 ( -5.920 0.000 0.427) 5.935 20.727 ( 5.920 0.000 0.427) 5.935 21.208 ( -1.836 0.000 -4.248) 4.628 21.208 ( 1.836 0.000 -4.248) 4.628 22.760 ( -2.212 0.000 4.105) 4.663 22.760 ( 2.212 0.000 4.105) 4.663 23.019 ( -0.009 0.000 2.575) 2.575 23.019 ( 0.009 0.000 2.575) 2.575 28.579 ( -0.388 0.000 0.394) 0.553 28.579 ( 0.388 0.000 0.394) 0.553 28.623 ( -0.151 0.000 -0.615) 0.633 28.623 ( 0.151 0.000 -0.615) 0.633 29.426 ( -7.104 0.000 11.763) 13.741 29.426 ( 7.104 0.000 11.763) 13.741 29.773 ( -6.564 0.000 12.714) 14.308 29.773 ( 6.564 0.000 12.714) 14.308 30.042 ( -4.671 0.000 6.516) 8.017 30.042 ( 4.671 0.000 6.516) 8.017 30.507 ( -6.859 0.000 -0.408) 6.871 30.507 ( 6.859 0.000 -0.408) 6.871 31.056 ( -0.048 0.000 -4.785) 4.786 31.056 ( 0.048 0.000 -4.785) 4.786 31.293 ( -0.302 0.000 -6.586) 6.593 31.293 ( 0.302 0.000 -6.586) 6.593 31.653 ( -0.143 0.000 -4.682) 4.684 31.653 ( 0.143 0.000 -4.682) 4.684 32.209 ( -9.504 0.000 -12.183) 15.451 32.209 ( 9.504 0.000 -12.183) 15.451 ======================= Grid point 112 (41/72) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.000 1.877 26.418) 26.484 2.211 ( 0.000 -9.569 11.426) 14.903 2.518 ( 0.000 4.456 30.802) 31.123 2.546 ( 0.000 3.001 17.894) 18.144 2.794 ( 0.000 2.083 14.870) 15.015 3.055 ( 0.000 -7.173 22.157) 23.289 3.103 ( 0.000 -1.750 9.661) 9.818 3.254 ( 0.000 -0.240 3.749) 3.757 3.518 ( 0.000 14.420 6.164) 15.682 3.651 ( 0.000 0.049 5.560) 5.560 3.860 ( 0.000 3.876 5.962) 7.112 3.940 ( 0.000 0.543 5.135) 5.164 4.008 ( 0.000 -1.655 5.055) 5.319 4.089 ( 0.000 -6.166 3.314) 7.000 4.339 ( 0.000 2.334 5.702) 6.161 4.411 ( 0.000 -4.490 -6.591) 7.975 4.477 ( 0.000 0.333 -3.714) 3.729 4.507 ( 0.000 -2.882 4.392) 5.253 4.662 ( 0.000 -1.719 3.230) 3.659 4.745 ( 0.000 0.391 -7.715) 7.725 4.847 ( 0.000 -0.687 -6.046) 6.084 4.945 ( 0.000 2.209 5.264) 5.709 5.003 ( 0.000 1.493 -7.120) 7.275 5.074 ( 0.000 -8.288 3.125) 8.858 5.077 ( 0.000 -1.105 -4.667) 4.796 5.193 ( 0.000 -1.781 -4.365) 4.714 5.419 ( 0.000 5.923 1.053) 6.016 5.551 ( 0.000 -1.811 1.590) 2.410 5.691 ( 0.000 -1.587 -2.521) 2.979 5.733 ( 0.000 3.327 -0.169) 3.332 5.968 ( 0.000 7.076 -5.042) 8.688 5.971 ( 0.000 2.163 -4.933) 5.387 6.196 ( 0.000 -6.526 7.188) 9.708 6.274 ( 0.000 -4.513 -1.869) 4.884 6.383 ( 0.000 -1.739 -0.838) 1.931 6.604 ( 0.000 -11.138 -1.773) 11.279 6.640 ( 0.000 10.224 -5.853) 11.780 6.843 ( 0.000 3.613 -4.691) 5.921 7.070 ( 0.000 2.310 6.679) 7.067 7.190 ( 0.000 0.363 -2.281) 2.309 7.219 ( 0.000 -0.508 -4.191) 4.222 7.373 ( 0.000 -8.412 -0.727) 8.444 7.444 ( 0.000 7.746 3.160) 8.366 7.745 ( 0.000 -1.585 -6.678) 6.864 7.877 ( 0.000 0.876 13.536) 13.565 7.940 ( 0.000 -0.602 4.294) 4.336 8.545 ( 0.000 0.439 6.305) 6.320 8.550 ( 0.000 1.766 10.718) 10.862 8.707 ( 0.000 2.498 13.180) 13.414 8.792 ( 0.000 -0.927 9.874) 9.917 8.829 ( 0.000 2.849 10.751) 11.122 8.926 ( 0.000 -2.193 8.833) 9.101 9.959 ( 0.000 0.783 8.865) 8.899 9.985 ( 0.000 -0.233 9.657) 9.659 10.349 ( 0.000 3.338 13.505) 13.911 10.492 ( 0.000 -0.736 17.109) 17.124 10.709 ( 0.000 -1.405 -0.320) 1.441 10.835 ( 0.000 -5.634 6.898) 8.907 11.020 ( 0.000 2.343 3.931) 4.576 11.027 ( 0.000 1.617 1.937) 2.523 11.503 ( 0.000 2.772 -6.658) 7.212 11.642 ( 0.000 -2.473 -4.786) 5.387 12.432 ( 0.000 1.070 8.035) 8.106 12.452 ( 0.000 0.401 13.911) 13.917 12.755 ( 0.000 -1.235 -16.298) 16.345 12.821 ( 0.000 -3.060 -19.734) 19.970 12.928 ( 0.000 1.944 -4.612) 5.005 13.029 ( 0.000 -2.056 -6.011) 6.353 13.156 ( 0.000 1.821 -14.000) 14.118 13.168 ( 0.000 0.992 -17.946) 17.973 13.531 ( 0.000 -0.019 -19.491) 19.491 13.550 ( 0.000 -0.620 -19.141) 19.151 13.710 ( 0.000 0.579 -10.790) 10.805 13.758 ( 0.000 -1.253 -15.594) 15.644 14.498 ( 0.000 0.820 -21.598) 21.614 14.542 ( 0.000 -0.833 -20.749) 20.766 17.054 ( 0.000 3.629 32.097) 32.302 17.364 ( 0.000 -8.715 27.564) 28.909 19.032 ( 0.000 -0.515 36.736) 36.739 19.038 ( 0.000 -1.508 20.045) 20.101 19.134 ( 0.000 2.245 -7.972) 8.282 19.209 ( 0.000 -1.169 -21.225) 21.257 21.649 ( 0.000 0.284 -19.994) 19.996 21.658 ( 0.000 0.012 -19.121) 19.121 22.724 ( 0.000 -0.113 12.484) 12.485 22.735 ( 0.000 -0.679 13.420) 13.437 23.355 ( 0.000 1.255 7.804) 7.905 23.384 ( 0.000 0.472 7.413) 7.428 28.584 ( 0.000 -0.136 -0.487) 0.506 28.589 ( 0.000 -0.229 -0.910) 0.939 28.595 ( 0.000 0.191 0.028) 0.193 28.603 ( 0.000 -0.181 0.459) 0.493 29.138 ( 0.000 2.479 17.079) 17.258 29.324 ( 0.000 -5.899 17.661) 18.621 29.892 ( 0.000 5.003 10.306) 11.456 29.925 ( 0.000 10.580 11.683) 15.762 30.110 ( 0.000 -5.240 7.029) 8.767 30.183 ( 0.000 -1.111 0.266) 1.143 30.195 ( 0.000 3.482 2.068) 4.050 30.715 ( 0.000 -8.897 -3.509) 9.564 30.965 ( 0.000 -3.112 4.473) 5.449 31.063 ( 0.000 -2.606 -3.781) 4.592 31.183 ( 0.000 1.837 -5.226) 5.540 31.201 ( 0.000 0.383 -2.494) 2.523 31.393 ( 0.000 -7.253 2.230) 7.589 31.542 ( 0.000 -5.701 0.826) 5.761 32.221 ( 0.000 17.544 -18.286) 25.341 32.580 ( 0.000 -1.902 -25.831) 25.901 ======================= Grid point 113 (42/72) ======================= q-point: ( 0.17 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -8.602 2.815 22.260) 24.030 2.006 ( 1.995 3.296 21.034) 21.384 2.274 ( 1.979 -7.187 14.019) 15.877 2.460 ( -10.471 -7.457 15.152) 19.871 3.004 ( -5.472 -2.070 11.626) 13.015 3.125 ( 4.559 2.113 3.719) 6.251 3.249 ( 3.307 -2.080 4.267) 5.785 3.406 ( 16.548 -1.037 7.406) 18.159 3.480 ( -0.739 11.904 13.499) 18.014 3.638 ( 3.670 6.400 8.702) 11.408 3.803 ( -8.110 -1.722 4.779) 9.569 3.895 ( -2.061 1.287 3.213) 4.028 3.990 ( -1.245 1.658 6.089) 6.433 4.093 ( -0.006 -4.206 3.236) 5.307 4.261 ( -3.076 -0.830 2.434) 4.009 4.369 ( -2.934 -0.205 2.101) 3.615 4.495 ( -0.546 -2.354 -3.247) 4.048 4.533 ( -0.998 1.584 -6.525) 6.788 4.655 ( -1.097 1.329 -0.579) 1.818 4.758 ( 1.614 -2.172 -6.181) 6.748 4.781 ( -4.172 2.102 1.340) 4.861 4.940 ( -0.170 -6.178 -2.398) 6.629 5.051 ( 4.449 6.088 -7.019) 10.301 5.109 ( 3.966 0.088 -1.377) 4.199 5.180 ( 6.273 -1.158 -2.324) 6.789 5.310 ( 4.898 -8.820 0.534) 10.103 5.413 ( 4.105 4.796 5.448) 8.339 5.559 ( -0.731 -1.398 0.372) 1.621 5.660 ( -0.150 -2.997 -2.163) 3.699 5.727 ( -1.867 -0.702 0.228) 2.007 5.876 ( -5.736 0.202 -2.255) 6.167 5.972 ( -4.021 2.988 -4.441) 6.695 6.080 ( -7.369 -2.553 0.923) 7.853 6.239 ( -4.945 -3.237 -1.883) 6.203 6.298 ( -10.391 2.701 3.606) 11.326 6.412 ( 3.163 -2.718 -0.114) 4.172 6.682 ( 1.367 0.177 2.810) 3.130 6.873 ( -12.266 0.402 -0.408) 12.279 6.968 ( 0.914 6.557 2.138) 6.957 7.108 ( -4.630 2.469 4.605) 6.981 7.140 ( -2.186 -1.240 0.646) 2.595 7.379 ( -2.714 -2.683 2.707) 4.679 7.604 ( 5.576 0.974 12.840) 14.032 7.805 ( -0.978 -3.615 17.540) 17.935 8.074 ( 17.529 2.217 -15.473) 23.486 8.131 ( 20.345 2.772 -3.939) 20.908 8.487 ( -3.446 0.036 6.795) 7.619 8.560 ( 0.465 -0.144 6.213) 6.232 8.731 ( 1.961 1.507 13.954) 14.172 8.778 ( 1.353 0.365 15.776) 15.838 8.885 ( 2.815 -1.915 6.597) 7.424 8.984 ( 5.501 0.325 6.944) 8.864 9.841 ( -7.812 -0.834 12.236) 14.541 9.934 ( -6.063 2.154 10.279) 12.127 10.310 ( -3.899 -0.510 11.133) 11.807 10.496 ( -1.585 1.286 14.304) 14.449 10.700 ( 0.205 0.425 0.181) 0.506 10.827 ( -0.181 -4.756 5.068) 6.952 11.018 ( -0.301 2.706 5.837) 6.441 11.071 ( 1.612 -0.232 2.981) 3.397 11.499 ( 0.440 2.193 -6.296) 6.681 11.702 ( 3.771 -1.610 -5.591) 6.933 12.224 ( -14.910 0.199 -0.487) 14.919 12.296 ( -11.726 1.222 3.591) 12.324 12.749 ( -1.616 -1.387 -8.068) 8.345 12.811 ( -2.492 -1.361 -3.892) 4.818 12.934 ( 1.212 0.898 -18.058) 18.121 13.011 ( -1.126 -0.858 -12.861) 12.938 13.244 ( 5.375 0.481 -10.463) 11.772 13.256 ( 5.722 1.438 -13.399) 14.640 13.388 ( -5.767 -1.301 -16.582) 17.604 13.456 ( -3.864 -0.271 -13.662) 14.200 13.820 ( 6.179 -0.162 -18.507) 19.512 13.874 ( 4.650 -0.143 -20.183) 20.712 14.558 ( 5.182 0.606 -18.535) 19.255 14.588 ( 4.113 -0.534 -17.716) 18.195 17.123 ( 6.610 3.448 30.842) 31.731 17.402 ( 3.725 -7.491 26.744) 28.022 18.513 ( -24.653 -1.082 14.269) 28.505 18.567 ( -26.223 0.532 12.700) 29.141 19.656 ( 30.080 0.815 3.559) 30.301 19.774 ( 30.193 -1.150 -0.407) 30.218 21.638 ( -2.993 0.278 -16.948) 17.212 21.661 ( -1.154 -0.538 -18.347) 18.391 22.652 ( -5.590 0.367 13.107) 14.254 22.682 ( -2.784 -0.620 11.497) 11.846 23.301 ( -5.243 0.980 6.749) 8.602 23.326 ( -5.568 0.410 6.379) 8.477 28.561 ( -0.664 -0.172 0.474) 0.833 28.576 ( -0.426 -0.173 0.388) 0.602 28.620 ( 0.737 0.089 -0.794) 1.087 28.623 ( 1.147 -0.041 -1.093) 1.585 29.186 ( 4.495 2.484 16.191) 16.986 29.372 ( 4.390 -5.765 16.648) 18.157 29.823 ( -6.239 3.121 8.919) 11.323 29.951 ( 2.686 10.456 11.041) 15.441 30.013 ( -6.450 -3.704 7.966) 10.899 30.183 ( -0.256 -0.440 1.211) 1.314 30.282 ( 5.439 2.552 3.910) 7.168 30.714 ( -0.689 -5.924 -4.244) 7.320 30.962 ( 0.193 -2.439 2.403) 3.430 31.061 ( 0.123 -0.014 -3.956) 3.958 31.154 ( -1.271 -3.263 -2.055) 4.060 31.251 ( 3.259 -1.700 -7.822) 8.643 31.467 ( 5.755 -4.649 1.109) 7.481 31.572 ( 3.040 -4.401 0.862) 5.418 32.184 ( -3.169 15.515 -16.575) 22.923 32.532 ( -4.656 -2.133 -23.608) 24.157 ======================= Grid point 114 (43/72) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 16.789 -1.016 0.554) 16.829 2.220 ( 12.638 2.485 14.556) 19.437 2.340 ( 4.830 -2.880 16.212) 17.160 2.462 ( 9.655 -5.439 2.414) 11.341 2.860 ( -5.239 -5.176 11.283) 13.474 2.994 ( -10.785 -3.871 5.762) 12.826 3.252 ( -2.069 4.233 3.402) 5.811 3.394 ( -7.313 8.501 3.668) 11.799 3.425 ( -13.245 -3.093 -2.624) 13.852 3.577 ( -18.305 1.759 -3.287) 18.681 3.758 ( -4.897 -3.497 1.628) 6.234 3.877 ( -3.402 4.155 -4.215) 6.827 3.960 ( 3.830 4.328 4.815) 7.523 4.072 ( 2.252 4.967 6.590) 8.554 4.210 ( -0.510 -1.623 3.036) 3.481 4.359 ( 2.590 2.933 1.710) 4.270 4.474 ( -1.298 0.226 -3.910) 4.125 4.562 ( -0.448 0.963 -5.432) 5.535 4.683 ( 3.070 -0.242 -2.009) 3.677 4.701 ( 5.490 -1.594 0.596) 5.747 4.814 ( 1.018 -4.522 -1.955) 5.030 4.931 ( 0.678 -7.047 -7.874) 10.589 5.075 ( -1.140 3.893 -5.793) 7.072 5.216 ( 5.995 1.942 -2.921) 6.945 5.293 ( 4.015 0.022 0.303) 4.026 5.380 ( -0.405 0.766 -2.369) 2.522 5.452 ( -3.146 2.292 2.472) 4.611 5.540 ( 0.393 1.567 3.159) 3.548 5.672 ( 0.887 -4.365 3.190) 5.479 5.728 ( 1.722 -2.605 3.161) 4.443 5.796 ( -2.643 -1.656 1.839) 3.621 5.869 ( 0.768 -5.461 7.643) 9.425 5.986 ( -1.758 3.811 0.520) 4.229 6.145 ( -0.911 2.043 7.872) 8.183 6.345 ( 6.540 -5.780 3.837) 9.534 6.480 ( -1.250 -2.391 7.882) 8.330 6.610 ( -2.073 -0.792 2.685) 3.483 6.674 ( -7.293 -2.250 8.542) 11.455 6.879 ( -5.701 3.112 9.082) 11.166 7.013 ( -6.196 3.416 4.076) 8.165 7.169 ( 1.944 2.351 2.643) 4.037 7.318 ( -0.640 5.708 4.032) 7.018 7.635 ( -0.442 0.507 12.762) 12.780 7.751 ( -4.190 -2.133 14.045) 14.812 8.355 ( -0.812 -0.920 3.885) 4.074 8.389 ( 9.925 0.779 -4.098) 10.766 8.531 ( 4.152 2.042 4.425) 6.402 8.661 ( 11.423 -2.018 4.178) 12.329 8.765 ( 0.329 0.520 5.793) 5.826 8.834 ( 2.942 0.055 20.122) 20.336 9.006 ( 8.626 1.236 0.582) 8.734 9.114 ( 7.822 -2.621 -0.883) 8.296 9.743 ( 0.739 -0.652 13.173) 13.210 9.809 ( -2.865 1.305 11.528) 11.950 10.178 ( -9.720 -2.642 9.922) 14.139 10.362 ( -12.401 1.788 11.648) 17.107 10.726 ( 2.648 0.980 1.672) 3.282 10.820 ( -0.572 -2.765 3.166) 4.242 10.982 ( -4.199 1.842 5.917) 7.486 11.049 ( -2.984 0.588 5.542) 6.321 11.528 ( 2.249 0.987 -6.789) 7.220 11.703 ( -3.671 0.763 -8.274) 9.084 11.994 ( -6.054 -2.509 -5.589) 8.613 12.140 ( -1.980 2.727 -4.248) 5.422 12.707 ( -1.581 0.510 -4.961) 5.232 12.751 ( -2.459 1.265 -3.467) 4.435 12.933 ( -1.142 -1.963 -13.090) 13.286 12.984 ( -2.087 -2.503 -13.292) 13.686 13.277 ( 1.025 0.276 -19.364) 19.393 13.312 ( -0.353 -0.771 -21.695) 21.712 13.395 ( 4.589 1.470 -11.047) 12.052 13.472 ( 1.654 -0.676 -12.141) 12.271 13.904 ( 2.195 0.277 -18.939) 19.067 13.924 ( 1.455 -0.472 -20.686) 20.743 14.663 ( 4.039 0.305 -13.811) 14.392 14.676 ( 3.647 0.073 -13.653) 14.132 17.316 ( 12.035 2.876 27.445) 30.105 17.519 ( 7.644 -4.785 24.446) 26.056 18.040 ( -21.358 0.057 17.759) 27.777 18.097 ( -19.405 -0.966 16.066) 25.211 20.270 ( 29.237 1.087 2.590) 29.371 20.371 ( 27.397 -1.315 -0.474) 27.433 21.471 ( -13.798 0.091 -9.748) 16.895 21.492 ( -15.932 -0.631 -9.187) 18.402 22.635 ( 5.061 0.948 6.898) 8.607 22.685 ( 3.913 -0.931 7.124) 8.181 23.147 ( -9.324 0.049 4.289) 10.263 23.173 ( -8.714 0.728 4.062) 9.642 28.563 ( 0.699 -0.003 0.646) 0.952 28.577 ( 0.467 -0.314 0.347) 0.662 28.620 ( -0.658 -0.031 -0.790) 1.029 28.635 ( 0.093 0.118 -0.909) 0.922 29.306 ( 6.815 2.460 14.107) 15.859 29.476 ( 4.375 -4.367 13.664) 14.997 29.690 ( -5.210 1.744 11.385) 12.641 29.861 ( -7.525 -4.496 9.919) 13.237 30.027 ( 3.555 7.046 7.336) 10.776 30.156 ( -2.263 0.996 4.045) 4.741 30.405 ( 6.627 3.984 3.147) 8.348 30.663 ( -4.382 -0.157 -2.957) 5.289 30.982 ( 1.487 -3.106 -1.742) 3.859 31.078 ( 1.129 1.680 -5.091) 5.479 31.139 ( -0.358 -6.244 -3.693) 7.263 31.303 ( 1.674 -4.099 -7.597) 8.793 31.577 ( 4.352 -0.619 -1.446) 4.627 31.661 ( 4.549 -1.736 -2.573) 5.508 32.130 ( -0.850 8.546 -13.062) 15.632 32.399 ( -7.893 -1.617 -18.177) 19.883 ======================= Grid point 115 (44/72) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.000 -3.321 14.007) 14.395 2.414 ( 0.000 3.721 18.180) 18.557 2.511 ( 0.000 -4.169 -11.048) 11.808 2.640 ( 0.000 -0.548 -8.807) 8.824 2.876 ( 0.000 -2.717 4.365) 5.142 2.910 ( 0.000 -4.344 1.205) 4.508 3.032 ( 0.000 -1.959 -6.891) 7.164 3.035 ( -0.001 -3.001 -11.353) 11.743 3.328 ( -0.000 3.580 15.841) 16.240 3.354 ( -0.000 4.136 10.860) 11.621 3.706 ( 0.000 -2.782 3.289) 4.307 3.815 ( 0.000 4.578 -4.187) 6.204 3.993 ( -0.000 6.532 1.179) 6.638 4.084 ( 0.000 7.359 4.280) 8.514 4.236 ( 0.000 -3.590 -0.193) 3.595 4.402 ( -0.000 0.796 -2.455) 2.581 4.481 ( 0.000 0.870 -2.735) 2.870 4.533 ( -0.000 4.404 -4.058) 5.988 4.727 ( 0.000 -3.842 -2.393) 4.527 4.754 ( 0.000 -0.025 -8.849) 8.849 4.890 ( -0.000 -2.659 -3.059) 4.053 4.995 ( -0.000 2.435 -5.254) 5.791 5.007 ( 0.000 -9.242 0.044) 9.242 5.292 ( 0.000 -0.718 -4.394) 4.452 5.330 ( 0.000 1.866 0.107) 1.869 5.343 ( -0.000 3.206 -8.903) 9.463 5.418 ( 0.000 0.923 -2.529) 2.692 5.545 ( 0.000 -0.102 8.749) 8.750 5.670 ( 0.000 -3.239 14.210) 14.574 5.701 ( -0.000 3.081 3.988) 5.039 5.787 ( 0.000 -5.522 0.614) 5.556 5.919 ( 0.000 3.027 2.797) 4.122 6.038 ( 0.000 3.397 14.711) 15.098 6.187 ( 0.000 1.749 9.470) 9.631 6.312 ( 0.000 -6.384 8.421) 10.567 6.365 ( 0.000 -10.121 11.056) 14.989 6.688 ( -0.000 4.084 4.988) 6.446 6.733 ( 0.000 0.146 10.741) 10.742 6.749 ( -0.000 -2.472 5.160) 5.722 6.875 ( -0.000 -0.714 6.862) 6.899 7.184 ( 0.000 2.834 2.992) 4.121 7.342 ( 0.000 10.499 6.013) 12.099 7.638 ( -0.000 -0.671 12.038) 12.057 7.676 ( 0.000 -0.286 9.463) 9.468 8.333 ( 0.000 -2.270 5.666) 6.104 8.517 ( -0.000 5.513 5.067) 7.488 8.539 ( 0.000 -6.644 1.154) 6.743 8.735 ( 0.000 0.611 4.790) 4.829 8.824 ( 0.000 1.332 13.417) 13.483 8.859 ( -0.000 1.931 18.348) 18.449 9.096 ( 0.000 -3.526 -4.355) 5.603 9.230 ( 0.000 1.165 -5.703) 5.821 9.882 ( 0.000 -0.085 8.774) 8.775 9.884 ( -0.000 0.033 9.071) 9.071 9.959 ( -0.000 -3.995 11.828) 12.485 10.092 ( -0.000 1.483 12.350) 12.438 10.790 ( 0.000 -0.052 1.755) 1.756 10.848 ( 0.000 -3.087 4.660) 5.590 10.851 ( -0.000 2.218 2.706) 3.499 11.014 ( 0.000 2.899 7.114) 7.682 11.567 ( 0.000 -0.228 -7.334) 7.337 11.647 ( -0.000 3.040 -10.900) 11.315 11.942 ( 0.000 -4.231 -5.125) 6.645 12.138 ( 0.000 3.225 -4.686) 5.688 12.692 ( 0.000 1.997 -6.990) 7.269 12.729 ( 0.000 2.800 -6.451) 7.032 12.924 ( 0.000 -4.342 -9.976) 10.881 12.943 ( 0.000 -3.513 -6.605) 7.482 13.298 ( 0.000 -0.103 -25.522) 25.523 13.315 ( -0.000 0.291 -28.481) 28.482 13.454 ( -0.000 -0.014 -12.566) 12.566 13.470 ( 0.000 0.667 -9.570) 9.594 13.921 ( 0.000 -0.645 -17.173) 17.186 13.946 ( 0.000 0.327 -19.445) 19.447 14.705 ( 0.000 0.062 -11.523) 11.523 14.716 ( 0.000 0.467 -12.370) 12.379 17.589 ( -0.000 1.613 22.917) 22.974 17.596 ( 0.000 1.707 23.594) 23.656 17.780 ( 0.000 -2.966 19.766) 19.987 17.790 ( -0.000 -2.438 20.076) 20.223 20.712 ( 0.000 -0.540 0.161) 0.564 20.743 ( 0.000 0.587 0.314) 0.666 21.202 ( 0.000 -0.300 -3.024) 3.038 21.206 ( -0.000 -0.248 -5.707) 5.713 22.750 ( 0.000 -0.349 5.112) 5.124 22.770 ( 0.000 0.346 3.394) 3.412 22.999 ( -0.000 -0.709 2.794) 2.883 23.045 ( -0.000 1.031 2.165) 2.398 28.574 ( 0.000 -0.020 0.457) 0.458 28.591 ( -0.000 0.568 0.157) 0.589 28.603 ( 0.000 -1.017 -0.492) 1.130 28.634 ( 0.000 0.250 -0.508) 0.567 29.440 ( -0.000 1.453 10.990) 11.085 29.454 ( 0.000 2.057 12.861) 13.025 29.702 ( -0.000 -4.297 10.637) 11.472 29.722 ( 0.000 -4.208 14.835) 15.420 30.083 ( -0.000 3.588 2.955) 4.648 30.111 ( 0.000 3.494 7.466) 8.243 30.536 ( -0.000 3.732 1.500) 4.022 30.556 ( 0.000 3.004 -1.336) 3.288 31.002 ( 0.000 -3.725 -2.944) 4.748 31.090 ( 0.000 1.885 -4.707) 5.071 31.136 ( -0.000 -6.883 -6.493) 9.462 31.321 ( 0.000 -4.059 -6.071) 7.303 31.628 ( -0.000 1.487 -3.477) 3.781 31.706 ( -0.000 1.661 -5.090) 5.354 32.159 ( 0.000 -1.615 -12.859) 12.961 32.272 ( 0.000 2.635 -13.217) 13.477 ======================= Grid point 119 (45/72) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 -8.695 18.704) 20.626 2.001 ( 0.000 8.695 18.704) 20.626 2.585 ( 0.000 -0.030 20.959) 20.959 2.585 ( 0.000 0.030 20.959) 20.959 2.894 ( 0.000 -7.388 23.633) 24.761 2.894 ( 0.000 7.388 23.633) 24.761 3.150 ( 0.000 -5.900 2.558) 6.430 3.150 ( 0.000 5.900 2.558) 6.430 3.711 ( 0.000 -0.147 10.465) 10.466 3.711 ( 0.000 0.147 10.465) 10.466 3.943 ( 0.000 -4.005 1.548) 4.294 3.943 ( 0.000 4.005 1.548) 4.294 3.980 ( 0.000 -3.706 5.484) 6.619 3.980 ( 0.000 3.706 5.484) 6.619 4.313 ( 0.000 -0.642 1.067) 1.245 4.313 ( 0.000 0.642 1.067) 1.245 4.509 ( 0.000 -0.635 -1.439) 1.573 4.509 ( 0.000 0.635 -1.439) 1.573 4.725 ( 0.000 -7.801 4.966) 9.248 4.725 ( 0.000 7.801 4.966) 9.248 4.833 ( 0.000 -0.476 -9.013) 9.026 4.833 ( 0.000 0.476 -9.013) 9.026 5.024 ( 0.000 -2.957 0.010) 2.957 5.024 ( 0.000 2.957 0.010) 2.957 5.122 ( 0.000 -4.317 -5.378) 6.897 5.122 ( 0.000 4.317 -5.378) 6.897 5.505 ( 0.000 -2.146 -1.416) 2.571 5.505 ( 0.000 2.146 -1.416) 2.571 5.734 ( 0.000 -3.217 1.093) 3.397 5.734 ( 0.000 3.217 1.093) 3.397 6.041 ( 0.000 -4.680 3.116) 5.623 6.041 ( 0.000 4.680 3.116) 5.623 6.168 ( 0.000 -6.887 -2.988) 7.508 6.168 ( 0.000 6.887 -2.988) 7.508 6.401 ( 0.000 -4.819 -0.706) 4.871 6.401 ( 0.000 4.819 -0.706) 4.871 6.835 ( 0.000 -5.589 -6.068) 8.250 6.835 ( 0.000 5.589 -6.068) 8.250 7.116 ( 0.000 -4.166 -1.268) 4.354 7.116 ( 0.000 4.166 -1.268) 4.354 7.263 ( 0.000 -2.839 -0.600) 2.902 7.263 ( 0.000 2.839 -0.600) 2.902 7.620 ( 0.000 -8.047 2.827) 8.529 7.620 ( 0.000 8.047 2.827) 8.529 7.916 ( 0.000 -1.301 4.541) 4.724 7.916 ( 0.000 1.301 4.541) 4.724 8.564 ( 0.000 -0.494 7.151) 7.168 8.564 ( 0.000 0.494 7.151) 7.168 8.769 ( 0.000 -2.108 12.138) 12.320 8.769 ( 0.000 2.108 12.138) 12.320 8.873 ( 0.000 -1.611 10.983) 11.101 8.873 ( 0.000 1.611 10.983) 11.101 9.975 ( 0.000 -0.209 9.252) 9.255 9.975 ( 0.000 0.209 9.252) 9.255 10.436 ( 0.000 -3.355 13.423) 13.836 10.436 ( 0.000 3.355 13.423) 13.836 10.732 ( 0.000 -3.368 4.770) 5.839 10.732 ( 0.000 3.368 4.770) 5.839 11.046 ( 0.000 -0.072 2.855) 2.856 11.046 ( 0.000 0.072 2.855) 2.856 11.574 ( 0.000 -3.257 -5.989) 6.817 11.574 ( 0.000 3.257 -5.989) 6.817 12.454 ( 0.000 -0.267 11.456) 11.459 12.454 ( 0.000 0.267 11.456) 11.459 12.759 ( 0.000 -1.891 -14.911) 15.031 12.759 ( 0.000 1.891 -14.911) 15.031 12.978 ( 0.000 -2.465 -9.973) 10.274 12.978 ( 0.000 2.465 -9.973) 10.274 13.179 ( 0.000 -0.038 -15.002) 15.002 13.179 ( 0.000 0.038 -15.002) 15.002 13.536 ( 0.000 -0.101 -18.679) 18.679 13.536 ( 0.000 0.101 -18.679) 18.679 13.730 ( 0.000 -0.565 -13.115) 13.127 13.730 ( 0.000 0.565 -13.115) 13.127 14.520 ( 0.000 -1.146 -21.101) 21.132 14.520 ( 0.000 1.146 -21.101) 21.132 17.176 ( 0.000 -8.054 31.051) 32.078 17.176 ( 0.000 8.054 31.051) 32.078 19.024 ( 0.000 -0.000 31.666) 31.666 19.024 ( 0.000 0.000 31.666) 31.666 19.177 ( 0.000 -0.375 -17.450) 17.454 19.177 ( 0.000 0.375 -17.450) 17.454 21.655 ( 0.000 -0.236 -19.622) 19.623 21.655 ( 0.000 0.236 -19.622) 19.623 22.725 ( 0.000 -0.192 12.972) 12.973 22.725 ( 0.000 0.192 12.972) 12.973 23.381 ( 0.000 -0.906 7.236) 7.292 23.381 ( 0.000 0.906 7.236) 7.292 28.584 ( 0.000 -0.047 -0.577) 0.579 28.584 ( 0.000 0.047 -0.577) 0.579 28.598 ( 0.000 -0.082 0.210) 0.226 28.598 ( 0.000 0.082 0.210) 0.226 29.212 ( 0.000 -4.567 17.230) 17.825 29.212 ( 0.000 4.567 17.230) 17.825 29.992 ( 0.000 -5.511 8.107) 9.803 29.992 ( 0.000 5.511 8.107) 9.803 30.128 ( 0.000 -5.169 0.731) 5.221 30.128 ( 0.000 5.169 0.731) 5.221 30.385 ( 0.000 -16.192 10.763) 19.443 30.385 ( 0.000 16.192 10.763) 19.443 30.996 ( 0.000 -3.330 -2.484) 4.155 30.996 ( 0.000 3.330 -2.484) 4.155 31.206 ( 0.000 -0.104 -4.646) 4.648 31.206 ( 0.000 0.104 -4.646) 4.648 31.408 ( 0.000 -5.813 2.557) 6.351 31.408 ( 0.000 5.813 2.557) 6.351 32.486 ( 0.000 -7.962 -24.439) 25.703 32.486 ( 0.000 7.962 -24.439) 25.703 ======================= Grid point 121 (46/72) ======================= q-point: ( 0.17 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -9.207 0.000 19.493) 21.558 2.049 ( 6.613 0.000 18.375) 19.529 2.200 ( -3.112 -0.000 18.031) 18.297 2.331 ( -10.050 0.000 17.647) 20.308 3.006 ( -9.264 0.000 2.533) 9.604 3.101 ( -4.381 0.000 7.974) 9.099 3.279 ( 14.796 -0.000 9.398) 17.528 3.350 ( 15.904 0.000 6.385) 17.138 3.611 ( -4.410 0.000 17.115) 17.674 3.754 ( 2.801 0.000 3.369) 4.382 3.845 ( -0.660 0.000 7.446) 7.475 3.877 ( -7.606 -0.000 4.312) 8.743 3.998 ( -0.225 0.000 0.207) 0.306 4.045 ( 1.914 0.000 7.240) 7.489 4.274 ( -2.860 -0.000 0.962) 3.017 4.280 ( 3.146 0.000 -4.008) 5.095 4.526 ( 0.175 -0.000 -2.030) 2.038 4.550 ( -2.023 0.000 4.723) 5.138 4.659 ( -5.162 0.000 -5.212) 7.336 4.770 ( 0.746 0.000 -3.837) 3.909 4.813 ( -1.679 0.000 -5.290) 5.550 4.819 ( 0.772 -0.000 -1.080) 1.327 5.107 ( 4.705 0.000 -7.049) 8.475 5.120 ( 8.200 0.000 -2.069) 8.457 5.168 ( 1.121 0.000 -2.286) 2.546 5.185 ( 8.042 -0.000 1.928) 8.270 5.476 ( 3.577 0.000 5.275) 6.373 5.558 ( 2.122 0.000 -1.547) 2.626 5.647 ( -4.295 -0.000 0.764) 4.362 5.685 ( -3.742 0.000 2.717) 4.624 5.924 ( -11.487 0.000 -1.967) 11.655 5.966 ( -13.397 0.000 -3.217) 13.778 6.076 ( -2.320 0.000 -1.100) 2.568 6.157 ( 1.640 -0.000 2.404) 2.910 6.348 ( -5.219 -0.000 -0.302) 5.227 6.360 ( 2.303 0.000 6.171) 6.586 6.722 ( -6.588 0.000 -5.934) 8.866 6.837 ( -6.910 0.000 -0.524) 6.930 7.052 ( -4.565 0.000 1.173) 4.713 7.138 ( -2.358 0.000 3.093) 3.889 7.192 ( -0.043 0.000 1.466) 1.467 7.287 ( 4.039 0.000 3.455) 5.315 7.635 ( 1.881 -0.000 12.741) 12.879 7.747 ( 0.363 0.000 17.947) 17.951 8.105 ( 19.681 0.000 -18.207) 26.811 8.162 ( 18.959 0.000 -1.203) 18.997 8.510 ( -5.269 -0.000 3.021) 6.074 8.533 ( -0.161 0.000 8.548) 8.549 8.762 ( 0.998 0.000 12.397) 12.437 8.775 ( 0.652 -0.000 18.689) 18.701 8.870 ( 2.736 0.000 7.477) 7.962 8.979 ( 5.413 0.000 7.850) 9.536 9.833 ( -7.906 0.000 12.410) 14.714 9.958 ( -5.601 0.000 9.640) 11.149 10.302 ( -6.284 0.000 10.208) 11.987 10.515 ( -1.118 0.000 14.416) 14.459 10.722 ( 3.281 0.000 -1.620) 3.659 10.754 ( -0.657 -0.000 7.015) 7.046 11.057 ( 0.201 -0.000 2.708) 2.716 11.059 ( 0.243 0.000 6.100) 6.105 11.533 ( -0.191 0.000 -4.596) 4.600 11.674 ( 4.721 0.000 -7.946) 9.243 12.229 ( -15.650 0.000 0.648) 15.663 12.311 ( -11.112 0.000 3.108) 11.539 12.741 ( -1.277 0.000 -8.351) 8.448 12.779 ( -0.249 0.000 -4.725) 4.731 12.959 ( -0.827 -0.000 -12.237) 12.265 12.990 ( -0.867 0.000 -17.378) 17.400 13.249 ( 5.182 0.000 -10.300) 11.530 13.274 ( 5.232 0.000 -14.561) 15.472 13.375 ( -4.850 0.000 -16.334) 17.039 13.450 ( -5.009 0.000 -12.833) 13.776 13.818 ( 6.632 0.000 -19.368) 20.472 13.872 ( 4.526 0.000 -19.030) 19.561 14.572 ( 4.984 0.000 -18.212) 18.882 14.575 ( 4.460 -0.000 -17.909) 18.456 17.232 ( 5.636 0.000 29.731) 30.261 17.239 ( 5.865 -0.000 29.796) 30.368 18.502 ( -24.659 0.000 15.203) 28.969 18.572 ( -26.221 0.000 12.938) 29.239 19.668 ( 30.604 0.000 2.650) 30.718 19.757 ( 29.694 0.000 0.017) 29.694 21.646 ( -2.363 0.000 -17.658) 17.815 21.649 ( -2.300 -0.000 -17.567) 17.717 22.663 ( -3.938 0.000 12.434) 13.043 22.668 ( -3.950 0.000 11.996) 12.630 23.317 ( -5.984 -0.000 5.983) 8.462 23.327 ( -5.179 0.000 6.547) 8.347 28.559 ( -0.622 0.000 0.174) 0.646 28.574 ( -0.532 0.000 0.798) 0.959 28.621 ( 0.731 0.000 -0.796) 1.081 28.623 ( 1.273 0.000 -1.084) 1.672 29.257 ( 4.390 0.000 16.363) 16.941 29.265 ( 4.651 -0.000 16.386) 17.033 29.904 ( -6.622 -0.000 7.839) 10.262 29.917 ( -6.661 0.000 8.774) 11.016 30.129 ( 0.128 -0.000 1.449) 1.455 30.144 ( 0.675 0.000 4.108) 4.163 30.443 ( 5.415 -0.000 9.397) 10.845 30.458 ( 4.982 0.000 5.751) 7.609 30.966 ( -0.801 0.000 -1.946) 2.104 31.034 ( 1.226 0.000 -3.371) 3.587 31.185 ( -1.488 -0.000 -5.179) 5.389 31.187 ( -0.713 0.000 -5.236) 5.284 31.468 ( 6.017 0.000 1.732) 6.261 31.486 ( 5.638 0.000 1.234) 5.771 32.403 ( -6.404 0.000 -22.116) 23.025 32.460 ( -3.633 0.000 -22.199) 22.494 ======================= Grid point 123 (47/72) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 11.895 0.000 3.221) 12.323 2.270 ( 13.136 0.000 19.774) 23.740 2.317 ( 8.276 -0.000 12.466) 14.963 2.361 ( 13.650 0.000 -2.007) 13.797 2.809 ( -7.276 0.000 4.859) 8.749 2.934 ( -11.367 0.000 15.230) 19.005 3.337 ( -4.534 -0.000 9.820) 10.816 3.365 ( -10.636 0.000 -11.050) 15.337 3.493 ( -12.213 0.000 1.931) 12.365 3.618 ( -18.244 0.000 4.086) 18.696 3.702 ( -5.625 -0.000 0.546) 5.652 3.901 ( -4.591 0.000 -7.398) 8.707 4.028 ( 6.251 0.000 2.470) 6.721 4.116 ( 6.659 0.000 5.660) 8.739 4.263 ( -1.460 0.000 6.564) 6.724 4.383 ( 2.438 0.000 -5.653) 6.156 4.443 ( 0.110 0.000 -7.849) 7.849 4.579 ( 6.884 0.000 6.698) 9.605 4.676 ( -1.129 -0.000 -0.679) 1.318 4.677 ( 0.986 0.000 -6.776) 6.848 4.780 ( 1.561 0.000 -3.103) 3.473 4.834 ( -1.451 0.000 -7.988) 8.119 5.113 ( -1.985 0.000 -4.694) 5.096 5.264 ( 4.252 -0.000 -3.751) 5.670 5.266 ( 5.951 0.000 -3.589) 6.949 5.365 ( 6.323 0.000 8.798) 10.835 5.515 ( -5.663 -0.000 -0.005) 5.663 5.580 ( -2.963 0.000 -2.947) 4.179 5.655 ( -2.495 0.000 9.818) 10.130 5.662 ( 5.554 0.000 12.064) 13.281 5.738 ( -2.902 0.000 0.024) 2.903 5.798 ( 7.879 0.000 1.856) 8.095 6.052 ( -1.524 0.000 2.597) 3.011 6.165 ( -1.851 0.000 7.695) 7.914 6.280 ( -3.045 -0.000 1.880) 3.579 6.423 ( 3.687 0.000 5.277) 6.438 6.615 ( 1.251 0.000 3.593) 3.804 6.641 ( -11.184 0.000 7.427) 13.426 6.914 ( -6.763 0.000 9.157) 11.384 7.055 ( -8.300 0.000 6.585) 10.595 7.216 ( 0.420 0.000 -0.136) 0.442 7.384 ( 6.594 0.000 3.268) 7.359 7.653 ( -0.454 -0.000 13.607) 13.615 7.705 ( -3.506 0.000 13.512) 13.960 8.350 ( -2.391 0.000 7.623) 7.989 8.388 ( 6.120 0.000 -4.480) 7.584 8.574 ( 2.491 0.000 0.804) 2.618 8.624 ( 15.686 0.000 2.878) 15.948 8.771 ( -0.191 0.000 6.529) 6.532 8.834 ( 3.715 0.000 21.424) 21.744 9.050 ( 15.270 0.000 -1.195) 15.316 9.053 ( 1.504 -0.000 2.532) 2.945 9.738 ( 0.649 0.000 13.272) 13.288 9.822 ( -4.196 0.000 10.654) 11.450 10.147 ( -10.095 0.000 8.954) 13.494 10.383 ( -12.615 0.000 11.625) 17.155 10.748 ( 1.405 0.000 5.451) 5.629 10.778 ( 1.378 -0.000 -1.074) 1.747 11.001 ( -5.961 -0.000 4.276) 7.336 11.058 ( -0.438 0.000 7.614) 7.626 11.544 ( 1.142 0.000 -4.762) 4.897 11.710 ( -1.239 0.000 -10.537) 10.610 11.968 ( -8.069 0.000 -5.307) 9.657 12.169 ( -1.595 0.000 -4.155) 4.451 12.729 ( 1.068 0.000 -4.178) 4.312 12.756 ( -1.343 0.000 -4.408) 4.608 12.917 ( -2.705 0.000 -8.881) 9.284 12.939 ( -4.607 0.000 -15.636) 16.300 13.282 ( 0.533 0.000 -18.527) 18.534 13.301 ( 0.742 0.000 -23.817) 23.829 13.418 ( 3.817 0.000 -13.719) 14.240 13.459 ( 2.352 0.000 -9.469) 9.756 13.910 ( 0.360 -0.000 -18.514) 18.517 13.914 ( 3.191 0.000 -21.027) 21.268 14.667 ( 3.678 0.000 -13.204) 13.707 14.677 ( 4.192 0.000 -14.224) 14.829 17.400 ( 10.672 0.000 26.262) 28.347 17.408 ( 10.464 -0.000 26.554) 28.541 18.045 ( -19.891 0.000 18.025) 26.843 18.081 ( -21.429 0.000 16.578) 27.093 20.288 ( 29.095 0.000 1.864) 29.155 20.350 ( 27.627 0.000 0.069) 27.627 21.478 ( -14.654 0.000 -10.379) 17.958 21.479 ( -14.926 -0.000 -8.842) 17.348 22.659 ( 4.017 0.000 7.550) 8.552 22.661 ( 4.824 -0.000 6.656) 8.220 23.148 ( -9.927 0.000 3.925) 10.675 23.181 ( -8.475 0.000 4.087) 9.409 28.564 ( 0.996 0.000 0.133) 1.005 28.572 ( 0.255 0.000 0.811) 0.850 28.620 ( -0.779 0.000 -0.793) 1.111 28.636 ( 0.151 0.000 -0.797) 0.811 29.372 ( 6.324 0.000 13.755) 15.139 29.385 ( 6.628 0.000 14.741) 16.163 29.755 ( -7.443 -0.000 9.425) 12.010 29.766 ( -7.383 0.000 11.443) 13.618 30.129 ( -0.040 0.000 1.856) 1.857 30.150 ( -0.014 0.000 5.610) 5.610 30.552 ( 3.786 -0.000 -0.170) 3.789 30.555 ( 4.566 0.000 6.130) 7.643 30.948 ( -1.215 0.000 -2.673) 2.937 31.052 ( 0.834 -0.000 -5.100) 5.167 31.155 ( -1.504 -0.000 -4.417) 4.666 31.203 ( 1.998 0.000 -5.062) 5.442 31.601 ( 4.879 0.000 -1.742) 5.180 31.619 ( 7.852 -0.000 -1.805) 8.056 32.247 ( -7.990 0.000 -17.038) 18.818 32.363 ( -4.981 0.000 -17.116) 17.826 ======================= Grid point 125 (48/72) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.000 0.000 11.341) 11.341 2.444 ( 0.000 0.000 -7.846) 7.846 2.479 ( -0.000 -0.000 18.451) 18.451 2.620 ( 0.000 0.000 2.385) 2.385 2.848 ( 0.000 0.000 1.852) 1.852 2.854 ( 0.000 0.000 -1.655) 1.655 2.992 ( -0.000 0.000 -13.251) 13.251 3.009 ( -0.000 0.000 -11.772) 11.772 3.392 ( -0.000 0.000 17.410) 17.410 3.411 ( 0.000 0.000 15.322) 15.322 3.654 ( 0.000 0.000 2.705) 2.705 3.864 ( -0.000 0.000 -7.755) 7.755 4.093 ( -0.000 0.000 3.603) 3.603 4.182 ( 0.000 0.000 2.609) 2.609 4.188 ( 0.000 0.000 -1.617) 1.617 4.399 ( 0.000 0.000 -3.785) 3.785 4.511 ( -0.000 0.000 -7.498) 7.498 4.612 ( 0.000 0.000 -9.767) 9.767 4.662 ( -0.000 0.000 1.238) 1.238 4.746 ( 0.000 0.000 -8.896) 8.896 4.870 ( -0.000 -0.000 4.894) 4.894 4.873 ( 0.000 0.000 -3.268) 3.268 5.016 ( 0.000 0.000 -7.017) 7.017 5.272 ( 0.000 0.000 -7.234) 7.234 5.380 ( 0.000 0.000 0.362) 0.362 5.393 ( -0.000 0.000 -5.668) 5.668 5.443 ( 0.000 0.000 -3.059) 3.059 5.490 ( 0.000 0.000 12.769) 12.769 5.660 ( 0.000 -0.000 12.662) 12.662 5.667 ( 0.000 0.000 5.673) 5.673 5.797 ( 0.000 0.000 5.658) 5.658 5.926 ( -0.000 0.000 0.874) 0.874 6.161 ( -0.000 0.000 15.704) 15.704 6.177 ( 0.000 0.000 9.146) 9.146 6.180 ( -0.000 -0.000 4.542) 4.542 6.254 ( 0.000 0.000 11.426) 11.426 6.698 ( -0.000 0.000 4.303) 4.303 6.731 ( 0.000 0.000 14.880) 14.880 6.767 ( 0.000 0.000 4.751) 4.751 6.859 ( -0.000 0.000 4.344) 4.344 7.223 ( 0.000 0.000 2.135) 2.135 7.482 ( 0.000 0.000 5.244) 5.244 7.630 ( -0.000 0.000 11.740) 11.740 7.654 ( 0.000 0.000 10.085) 10.085 8.324 ( 0.000 0.000 7.940) 7.940 8.444 ( 0.000 0.000 0.440) 0.440 8.597 ( 0.000 0.000 3.808) 3.808 8.725 ( 0.000 0.000 10.213) 10.213 8.843 ( 0.000 0.000 8.852) 8.852 8.883 ( 0.000 0.000 18.315) 18.315 9.056 ( 0.000 0.000 -4.199) 4.199 9.239 ( 0.000 0.000 -5.380) 5.380 9.881 ( 0.000 0.000 8.352) 8.352 9.891 ( 0.000 -0.000 8.936) 8.936 9.904 ( -0.000 0.000 10.905) 10.905 10.106 ( -0.000 0.000 12.108) 12.108 10.794 ( 0.000 0.000 -0.741) 0.741 10.813 ( 0.000 0.000 6.504) 6.504 10.878 ( -0.000 0.000 2.499) 2.499 11.044 ( 0.000 0.000 7.831) 7.831 11.568 ( 0.000 0.000 -6.099) 6.099 11.688 ( -0.000 0.000 -11.878) 11.878 11.891 ( 0.000 0.000 -4.969) 4.969 12.171 ( 0.000 0.000 -4.618) 4.618 12.742 ( 0.000 0.000 -8.788) 8.788 12.777 ( -0.000 0.000 -8.247) 8.247 12.847 ( 0.000 0.000 -8.287) 8.287 12.882 ( 0.000 0.000 -3.328) 3.328 13.297 ( 0.000 0.000 -25.694) 25.694 13.318 ( 0.000 0.000 -30.015) 30.015 13.454 ( 0.000 0.000 -12.836) 12.836 13.478 ( 0.000 0.000 -8.706) 8.706 13.913 ( 0.000 0.000 -16.644) 16.644 13.950 ( 0.000 0.000 -19.909) 19.909 14.706 ( 0.000 0.000 -11.358) 11.358 14.721 ( 0.000 0.000 -12.554) 12.554 17.618 ( -0.000 0.000 21.919) 21.919 17.623 ( 0.000 0.000 23.285) 23.285 17.733 ( 0.000 0.000 21.189) 21.189 17.752 ( 0.000 0.000 21.197) 21.197 20.706 ( 0.000 0.000 -0.059) 0.059 20.750 ( 0.000 0.000 0.162) 0.162 21.199 ( -0.000 0.000 -2.602) 2.602 21.202 ( -0.000 0.000 -6.362) 6.362 22.747 ( 0.000 0.000 5.589) 5.589 22.774 ( 0.000 0.000 3.198) 3.198 22.991 ( -0.000 0.000 2.825) 2.825 23.056 ( -0.000 0.000 1.957) 1.957 28.577 ( -0.000 0.000 0.583) 0.583 28.588 ( -0.000 0.000 -0.528) 0.528 28.598 ( 0.000 0.000 -0.053) 0.053 28.636 ( 0.000 0.000 -0.332) 0.332 29.463 ( 0.000 0.000 10.637) 10.637 29.486 ( -0.000 -0.000 13.650) 13.650 29.646 ( 0.000 0.000 10.643) 10.643 29.665 ( 0.000 0.000 14.594) 14.594 30.129 ( 0.000 0.000 1.931) 1.931 30.149 ( 0.000 0.000 5.860) 5.860 30.595 ( -0.000 0.000 -2.567) 2.567 30.604 ( -0.000 0.000 4.414) 4.414 30.930 ( 0.000 0.000 -3.350) 3.350 31.066 ( 0.000 -0.000 -6.397) 6.397 31.133 ( 0.000 0.000 -3.149) 3.149 31.231 ( 0.000 0.000 -4.555) 4.555 31.657 ( -0.000 0.000 -3.995) 3.995 31.723 ( -0.000 0.000 -4.656) 4.656 32.142 ( 0.000 0.000 -13.652) 13.652 32.302 ( 0.000 0.000 -14.010) 14.010 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.000 0.000 24.265) 24.265 2.542 ( 0.000 0.000 12.092) 12.092 2.796 ( 0.000 0.000 8.744) 8.744 2.922 ( 0.000 0.000 1.580) 1.580 3.061 ( 0.000 0.000 21.261) 21.261 3.263 ( 0.000 0.000 0.360) 0.360 3.350 ( 0.000 0.000 3.143) 3.143 3.399 ( 0.000 0.000 7.425) 7.425 3.600 ( 0.000 0.000 21.247) 21.247 3.684 ( 0.000 0.000 -0.706) 0.706 3.770 ( 0.000 0.000 -4.819) 4.819 3.967 ( 0.000 0.000 -1.065) 1.065 4.009 ( 0.000 0.000 -6.228) 6.228 4.226 ( 0.000 0.000 -11.108) 11.108 4.329 ( 0.000 0.000 5.896) 5.896 4.356 ( 0.000 0.000 -3.608) 3.608 4.474 ( 0.000 0.000 9.592) 9.592 4.592 ( 0.000 0.000 -5.144) 5.144 4.620 ( 0.000 0.000 -11.189) 11.189 4.732 ( 0.000 0.000 0.601) 0.601 4.821 ( 0.000 0.000 6.149) 6.149 4.935 ( 0.000 0.000 -3.766) 3.766 4.977 ( 0.000 0.000 3.107) 3.107 5.038 ( 0.000 0.000 1.394) 1.394 5.248 ( 0.000 0.000 8.989) 8.989 5.324 ( 0.000 0.000 5.802) 5.802 5.387 ( 0.000 0.000 9.597) 9.597 5.498 ( 0.000 0.000 -8.462) 8.462 5.675 ( 0.000 0.000 -1.410) 1.410 5.719 ( 0.000 0.000 4.807) 4.807 5.819 ( 0.000 0.000 -3.887) 3.887 5.839 ( 0.000 0.000 -1.741) 1.741 6.211 ( 0.000 0.000 -6.823) 6.823 6.265 ( 0.000 0.000 -9.139) 9.139 6.320 ( 0.000 0.000 -5.058) 5.058 6.542 ( 0.000 0.000 8.826) 8.826 6.636 ( 0.000 0.000 -16.640) 16.640 6.659 ( 0.000 0.000 -2.417) 2.417 7.176 ( 0.000 0.000 -6.547) 6.547 7.189 ( 0.000 0.000 6.635) 6.635 7.190 ( 0.000 0.000 1.908) 1.908 7.296 ( 0.000 0.000 -18.316) 18.316 7.322 ( 0.000 0.000 2.315) 2.315 7.510 ( 0.000 0.000 -1.479) 1.479 8.170 ( 0.000 0.000 15.881) 15.881 8.373 ( 0.000 0.000 21.469) 21.469 8.595 ( 0.000 0.000 -1.241) 1.241 8.720 ( 0.000 0.000 4.787) 4.787 8.980 ( 0.000 0.000 12.283) 12.283 8.993 ( 0.000 0.000 8.198) 8.198 9.047 ( 0.000 0.000 8.833) 8.833 9.081 ( 0.000 0.000 4.929) 4.929 10.272 ( 0.000 0.000 21.376) 21.376 10.300 ( 0.000 0.000 21.434) 21.434 10.554 ( 0.000 0.000 7.926) 7.926 10.799 ( 0.000 0.000 8.922) 8.922 10.801 ( 0.000 0.000 10.744) 10.744 11.019 ( 0.000 0.000 -0.604) 0.604 11.029 ( 0.000 0.000 3.399) 3.399 11.119 ( 0.000 0.000 7.708) 7.708 11.356 ( 0.000 0.000 -2.552) 2.552 11.559 ( 0.000 0.000 -5.741) 5.741 12.106 ( 0.000 0.000 -35.523) 35.523 12.190 ( 0.000 0.000 -37.054) 37.054 12.455 ( 0.000 0.000 -1.069) 1.069 12.640 ( 0.000 0.000 3.706) 3.706 12.741 ( 0.000 0.000 -18.512) 18.512 12.873 ( 0.000 0.000 -12.550) 12.550 13.071 ( 0.000 0.000 1.532) 1.532 13.080 ( 0.000 0.000 7.631) 7.631 13.213 ( 0.000 0.000 -9.309) 9.309 13.287 ( 0.000 0.000 -7.542) 7.542 13.576 ( 0.000 0.000 -0.216) 0.216 13.611 ( 0.000 0.000 2.650) 2.650 14.077 ( 0.000 0.000 -18.104) 18.104 14.151 ( 0.000 0.000 -18.039) 18.039 17.641 ( 0.000 0.000 27.860) 27.860 17.952 ( 0.000 0.000 21.905) 21.905 18.629 ( 0.000 0.000 -21.510) 21.510 18.790 ( 0.000 0.000 -19.945) 19.945 19.800 ( 0.000 0.000 35.183) 35.183 19.826 ( 0.000 0.000 37.438) 37.438 21.146 ( 0.000 0.000 -27.866) 27.866 21.184 ( 0.000 0.000 -26.759) 26.759 22.999 ( 0.000 0.000 13.608) 13.608 23.027 ( 0.000 0.000 13.321) 13.321 23.398 ( 0.000 0.000 -2.183) 2.183 23.417 ( 0.000 0.000 -3.450) 3.450 28.577 ( 0.000 0.000 0.006) 0.006 28.579 ( 0.000 0.000 -0.192) 0.192 28.592 ( 0.000 0.000 -0.337) 0.337 28.603 ( 0.000 0.000 -0.632) 0.632 29.444 ( 0.000 0.000 14.589) 14.589 29.744 ( 0.000 0.000 13.802) 13.802 29.864 ( 0.000 0.000 -4.235) 4.235 30.080 ( 0.000 0.000 11.989) 11.989 30.124 ( 0.000 0.000 -5.033) 5.033 30.284 ( 0.000 0.000 9.946) 9.946 30.357 ( 0.000 0.000 7.598) 7.598 30.562 ( 0.000 0.000 -10.036) 10.036 30.981 ( 0.000 0.000 -7.382) 7.382 30.989 ( 0.000 0.000 -5.534) 5.534 31.180 ( 0.000 0.000 5.809) 5.809 31.188 ( 0.000 0.000 0.583) 0.583 31.582 ( 0.000 0.000 -0.261) 0.261 31.626 ( 0.000 0.000 1.801) 1.801 31.757 ( 0.000 0.000 -4.252) 4.252 32.104 ( 0.000 0.000 -21.268) 21.268 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -22.999 0.000 21.379) 31.401 2.489 ( 1.467 0.000 20.682) 20.734 2.608 ( -0.425 0.000 11.631) 11.639 2.826 ( -7.661 0.000 10.268) 12.811 3.122 ( 3.904 0.000 -1.910) 4.346 3.148 ( -12.503 0.000 -1.833) 12.636 3.282 ( -8.174 0.000 -5.278) 9.730 3.388 ( -6.066 0.000 0.161) 6.068 3.662 ( 1.717 0.000 2.110) 2.720 3.669 ( -0.105 0.000 13.085) 13.086 3.867 ( 1.956 0.000 -1.867) 2.704 3.908 ( 1.110 0.000 6.630) 6.722 4.026 ( 1.301 0.000 1.553) 2.025 4.171 ( -1.168 0.000 -6.399) 6.505 4.294 ( -7.857 0.000 -4.894) 9.256 4.404 ( 3.281 0.000 4.524) 5.588 4.453 ( -6.927 0.000 -0.222) 6.930 4.488 ( 4.855 0.000 -0.358) 4.868 4.575 ( -5.014 0.000 0.297) 5.022 4.696 ( -8.170 0.000 -7.275) 10.940 4.828 ( 4.874 0.000 -5.526) 7.368 4.886 ( -6.064 0.000 4.690) 7.666 4.972 ( -2.144 0.000 -7.828) 8.116 4.999 ( -0.728 0.000 1.073) 1.297 5.213 ( 2.147 0.000 6.270) 6.627 5.374 ( -1.331 0.000 4.431) 4.626 5.502 ( -0.611 0.000 -4.377) 4.419 5.516 ( -0.794 0.000 -3.569) 3.656 5.554 ( 2.196 0.000 -4.236) 4.771 5.793 ( 3.133 0.000 1.304) 3.393 5.841 ( -4.558 0.000 -9.128) 10.203 5.848 ( 3.384 0.000 0.412) 3.409 6.199 ( -4.131 0.000 3.722) 5.560 6.218 ( 13.640 0.000 15.721) 20.814 6.330 ( 6.298 0.000 -2.360) 6.726 6.529 ( 2.317 0.000 7.147) 7.513 6.751 ( 3.810 0.000 0.005) 3.810 6.880 ( 7.441 0.000 -5.337) 9.158 7.023 ( -4.828 0.000 10.240) 11.322 7.126 ( 1.248 0.000 -0.522) 1.353 7.226 ( -5.578 0.000 6.223) 8.357 7.388 ( -1.830 0.000 -2.912) 3.439 7.598 ( 17.095 0.000 -12.423) 21.132 7.638 ( 23.733 0.000 -21.393) 31.952 8.099 ( -5.149 0.000 15.823) 16.640 8.336 ( -3.641 0.000 20.197) 20.523 8.554 ( -3.098 0.000 -2.390) 3.913 8.691 ( -2.020 0.000 4.136) 4.602 8.998 ( 1.404 0.000 11.575) 11.660 9.073 ( 6.394 0.000 8.126) 10.340 9.080 ( 0.072 0.000 5.263) 5.264 9.109 ( 4.526 0.000 9.449) 10.477 10.220 ( -4.608 0.000 22.610) 23.075 10.232 ( -5.755 0.000 22.031) 22.770 10.546 ( -1.482 0.000 8.267) 8.399 10.749 ( -4.525 0.000 10.286) 11.238 10.758 ( -1.760 0.000 7.362) 7.570 10.963 ( -2.476 0.000 0.243) 2.488 11.125 ( -0.541 0.000 6.556) 6.578 11.127 ( 4.100 0.000 0.731) 4.164 11.359 ( 0.618 0.000 -0.730) 0.956 11.605 ( 2.534 0.000 -6.044) 6.554 12.048 ( -12.459 0.000 -18.511) 22.313 12.057 ( -5.034 0.000 -26.783) 27.252 12.392 ( -1.827 0.000 -17.897) 17.990 12.488 ( -9.392 0.000 -5.394) 10.831 12.672 ( -5.766 0.000 -17.427) 18.356 12.807 ( -6.669 0.000 -14.251) 15.735 13.078 ( -1.065 0.000 -3.621) 3.774 13.104 ( -1.628 0.000 0.248) 1.646 13.208 ( 0.610 0.000 -6.234) 6.264 13.276 ( 0.550 0.000 -6.602) 6.625 13.653 ( 6.509 0.000 2.365) 6.925 13.677 ( 5.940 0.000 5.058) 7.801 14.185 ( 8.657 0.000 -16.796) 18.896 14.242 ( 7.315 0.000 -16.579) 18.122 17.681 ( 3.854 0.000 26.026) 26.310 17.956 ( 0.557 0.000 20.375) 20.382 18.499 ( -10.615 0.000 -12.004) 16.024 18.594 ( -15.330 0.000 -7.824) 17.211 20.035 ( 18.107 0.000 28.297) 33.594 20.052 ( 20.573 0.000 23.747) 31.419 21.201 ( 4.121 0.000 -25.873) 26.199 21.213 ( 2.056 0.000 -24.136) 24.223 22.937 ( -7.600 0.000 13.696) 15.663 22.939 ( -5.052 0.000 12.625) 13.598 23.330 ( -6.449 0.000 -2.898) 7.070 23.343 ( -7.054 0.000 -3.879) 8.050 28.573 ( -0.215 0.000 0.351) 0.412 28.575 ( -0.063 0.000 -0.024) 0.067 28.602 ( -0.130 0.000 -0.965) 0.973 28.602 ( 0.582 0.000 -0.966) 1.128 29.477 ( 3.150 0.000 14.084) 14.432 29.760 ( 1.191 0.000 12.437) 12.494 29.884 ( 1.770 0.000 -4.263) 4.616 29.993 ( -4.682 0.000 7.422) 8.775 30.189 ( 2.745 0.000 1.580) 3.167 30.257 ( -1.990 0.000 11.328) 11.501 30.385 ( 2.205 0.000 5.961) 6.356 30.565 ( 0.051 0.000 -9.211) 9.211 30.940 ( -1.133 0.000 -4.484) 4.625 31.050 ( 2.864 0.000 -8.998) 9.443 31.065 ( -5.860 0.000 3.184) 6.669 31.225 ( -0.910 0.000 -1.729) 1.954 31.600 ( 1.709 0.000 1.781) 2.468 31.638 ( 0.922 0.000 2.104) 2.298 31.779 ( 2.399 0.000 -4.568) 5.160 32.101 ( -0.564 0.000 -19.335) 19.343 ======================= Grid point 142 (51/72) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -1.039 0.000 8.678) 8.740 2.389 ( -8.518 0.000 6.312) 10.602 2.570 ( -7.010 0.000 -0.764) 7.052 2.706 ( -8.244 0.000 3.970) 9.150 2.976 ( -3.040 0.000 -1.503) 3.391 3.033 ( -9.216 0.000 -6.825) 11.467 3.189 ( -0.080 0.000 -2.520) 2.521 3.198 ( -10.862 0.000 -5.773) 12.300 3.594 ( -2.044 0.000 16.321) 16.448 3.618 ( -3.534 0.000 12.022) 12.531 3.865 ( -0.989 0.000 3.433) 3.573 3.884 ( -3.616 0.000 5.850) 6.877 4.057 ( -2.192 0.000 6.070) 6.453 4.078 ( -5.066 0.000 1.584) 5.308 4.313 ( 4.353 0.000 -10.785) 11.630 4.338 ( -2.095 0.000 2.270) 3.089 4.411 ( -6.667 0.000 -0.543) 6.689 4.421 ( -0.798 0.000 -0.588) 0.991 4.610 ( 6.399 0.000 1.522) 6.578 4.663 ( 2.244 0.000 -12.762) 12.958 4.789 ( -1.839 0.000 2.884) 3.420 4.847 ( -7.142 0.000 -9.113) 11.579 4.982 ( 7.539 0.000 -8.746) 11.547 5.008 ( 1.272 0.000 -2.283) 2.613 5.263 ( 0.817 0.000 -3.347) 3.446 5.293 ( -3.420 0.000 -1.891) 3.908 5.373 ( -6.812 0.000 -7.630) 10.229 5.454 ( -4.803 0.000 -6.964) 8.459 5.691 ( 8.062 0.000 0.917) 8.114 5.806 ( 3.594 0.000 -1.960) 4.093 5.889 ( 3.647 0.000 5.928) 6.960 6.018 ( 0.987 0.000 0.259) 1.021 6.121 ( 6.285 0.000 12.640) 14.116 6.481 ( 3.740 0.000 20.606) 20.943 6.493 ( 9.140 0.000 -0.693) 9.166 6.690 ( 4.922 0.000 7.348) 8.844 6.756 ( 4.923 0.000 2.857) 5.692 6.835 ( -5.963 0.000 5.641) 8.209 6.984 ( -7.943 0.000 8.368) 11.537 7.092 ( -2.861 0.000 4.090) 4.991 7.261 ( 9.851 0.000 11.986) 15.514 7.318 ( 0.402 0.000 6.066) 6.080 7.919 ( 1.425 0.000 6.808) 6.956 8.024 ( 5.958 0.000 -4.730) 7.607 8.129 ( 16.189 0.000 -9.065) 18.554 8.268 ( 1.945 0.000 3.229) 3.770 8.502 ( -1.486 0.000 -4.332) 4.580 8.669 ( -1.018 0.000 -2.548) 2.743 9.026 ( 2.054 0.000 9.453) 9.673 9.096 ( 1.883 0.000 7.631) 7.860 9.160 ( 0.601 0.000 7.277) 7.302 9.193 ( 2.701 0.000 8.117) 8.554 10.138 ( -1.101 0.000 22.140) 22.167 10.140 ( -1.200 0.000 21.382) 21.416 10.476 ( -6.160 0.000 10.211) 11.925 10.585 ( -12.120 0.000 9.795) 15.583 10.770 ( 3.178 0.000 6.075) 6.856 10.925 ( -0.933 0.000 1.320) 1.617 11.072 ( -4.247 0.000 3.493) 5.498 11.117 ( -5.440 0.000 0.792) 5.497 11.398 ( 2.984 0.000 1.145) 3.197 11.552 ( -6.536 0.000 -3.888) 7.605 11.906 ( 0.001 0.000 -7.540) 7.540 11.947 ( -3.455 0.000 -9.548) 10.154 12.374 ( -2.094 0.000 -20.681) 20.787 12.389 ( 0.272 0.000 -24.866) 24.867 12.555 ( -4.184 0.000 -22.449) 22.836 12.658 ( -6.789 0.000 -21.099) 22.165 13.026 ( -2.937 0.000 -4.376) 5.270 13.031 ( -3.612 0.000 -1.864) 4.065 13.228 ( 0.980 0.000 -8.538) 8.594 13.278 ( -0.932 0.000 -9.836) 9.880 13.793 ( 6.027 0.000 6.977) 9.219 13.809 ( 5.518 0.000 8.403) 10.053 14.354 ( 6.644 0.000 -15.158) 16.551 14.382 ( 5.283 0.000 -14.861) 15.772 17.797 ( 7.434 0.000 21.179) 22.445 17.986 ( 2.514 0.000 16.320) 16.513 18.273 ( -10.334 0.000 0.244) 10.336 18.274 ( -14.643 0.000 4.574) 15.341 20.469 ( 22.286 0.000 16.050) 27.464 20.509 ( 21.938 0.000 12.330) 25.166 21.214 ( -3.332 0.000 -15.285) 15.644 21.231 ( -3.262 0.000 -16.705) 17.020 22.805 ( -2.944 0.000 10.233) 10.648 22.850 ( -2.258 0.000 8.028) 8.339 23.152 ( -10.567 0.000 -4.089) 11.330 23.157 ( -9.603 0.000 -3.757) 10.312 28.573 ( 0.196 0.000 0.318) 0.374 28.577 ( 0.241 0.000 -0.272) 0.363 28.598 ( -0.125 0.000 -1.230) 1.237 28.608 ( -0.042 0.000 -1.274) 1.275 29.563 ( 4.960 0.000 12.852) 13.776 29.756 ( -2.536 0.000 10.136) 10.449 29.925 ( 1.851 0.000 -3.287) 3.772 29.935 ( -0.485 0.000 7.445) 7.461 30.214 ( -0.163 0.000 5.241) 5.243 30.218 ( -1.565 0.000 12.703) 12.800 30.438 ( 2.933 0.000 2.946) 4.157 30.551 ( -1.626 0.000 -5.713) 5.940 30.938 ( 0.704 0.000 -3.951) 4.013 30.979 ( -2.208 0.000 -0.765) 2.337 31.091 ( 1.139 0.000 -10.317) 10.380 31.170 ( -3.501 0.000 -6.820) 7.666 31.637 ( 1.501 0.000 3.974) 4.248 31.654 ( 0.489 0.000 2.956) 2.997 31.859 ( 5.193 0.000 -6.451) 8.281 32.065 ( -3.173 0.000 -15.106) 15.435 ======================= Grid point 143 (52/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -18.057 0.000 -10.065) 20.673 2.298 ( 18.059 0.000 -10.065) 20.674 2.377 ( -0.633 0.000 -9.267) 9.289 2.377 ( 0.632 0.000 -9.268) 9.289 2.968 ( -0.000 0.000 3.454) 3.454 2.968 ( 0.000 0.000 3.454) 3.454 3.129 ( -2.845 0.000 1.989) 3.471 3.129 ( 2.845 0.000 1.989) 3.471 3.600 ( -0.004 0.000 19.992) 19.992 3.600 ( 0.003 0.000 19.992) 19.992 3.836 ( -0.043 0.000 7.315) 7.315 3.836 ( 0.043 0.000 7.315) 7.315 4.015 ( -0.035 0.000 1.417) 1.417 4.015 ( 0.035 0.000 1.417) 1.417 4.304 ( -0.014 0.000 -0.382) 0.383 4.304 ( 0.014 0.000 -0.382) 0.383 4.426 ( -0.821 0.000 -4.754) 4.824 4.426 ( 0.821 0.000 -4.754) 4.824 4.682 ( -0.067 0.000 -11.926) 11.926 4.682 ( 0.067 0.000 -11.926) 11.926 4.768 ( -0.519 0.000 0.442) 0.681 4.768 ( 0.519 0.000 0.442) 0.681 5.056 ( -0.835 0.000 -8.017) 8.060 5.056 ( 0.835 0.000 -8.017) 8.060 5.251 ( -0.231 0.000 -3.602) 3.609 5.251 ( 0.231 0.000 -3.602) 3.609 5.352 ( -0.761 0.000 -7.895) 7.931 5.352 ( 0.761 0.000 -7.895) 7.931 5.842 ( -4.221 0.000 4.315) 6.036 5.842 ( 4.221 0.000 4.315) 6.036 5.930 ( -4.440 0.000 2.321) 5.010 5.930 ( 4.440 0.000 2.322) 5.010 6.372 ( -11.127 0.000 12.079) 16.423 6.372 ( 11.127 0.000 12.079) 16.423 6.672 ( -5.528 0.000 5.184) 7.579 6.672 ( 5.528 0.000 5.184) 7.579 6.778 ( -9.506 0.000 7.482) 12.097 6.778 ( 9.506 0.000 7.482) 12.097 6.962 ( -5.564 0.000 1.743) 5.831 6.962 ( 5.564 0.000 1.743) 5.831 7.405 ( -0.027 0.000 19.315) 19.315 7.405 ( 0.027 0.000 19.315) 19.315 7.929 ( -5.202 0.000 13.062) 14.060 7.929 ( 5.202 0.000 13.062) 14.060 8.367 ( -0.013 0.000 -9.880) 9.880 8.367 ( 0.013 0.000 -9.880) 9.880 8.557 ( -6.987 0.000 -8.963) 11.365 8.557 ( 6.987 0.000 -8.963) 11.365 9.116 ( -2.060 0.000 4.626) 5.063 9.116 ( 2.060 0.000 4.626) 5.063 9.164 ( -4.437 0.000 8.812) 9.867 9.164 ( 4.437 0.000 8.812) 9.867 10.190 ( -0.237 0.000 17.081) 17.082 10.190 ( 0.237 0.000 17.081) 17.082 10.351 ( -1.429 0.000 13.915) 13.988 10.351 ( 1.429 0.000 13.915) 13.988 10.879 ( -4.033 0.000 5.208) 6.587 10.879 ( 4.033 0.000 5.208) 6.587 11.014 ( -0.033 0.000 1.834) 1.835 11.014 ( 0.033 0.000 1.834) 1.835 11.458 ( -2.839 0.000 -0.252) 2.850 11.458 ( 2.839 0.000 -0.252) 2.850 11.923 ( -0.012 0.000 -6.446) 6.446 11.923 ( 0.012 0.000 -6.446) 6.446 12.371 ( -1.148 0.000 -23.191) 23.219 12.371 ( 1.148 0.000 -23.191) 23.219 12.551 ( -3.184 0.000 -26.463) 26.654 12.551 ( 3.184 0.000 -26.463) 26.654 12.991 ( -0.000 0.000 -2.686) 2.686 12.991 ( 0.000 0.000 -2.686) 2.686 13.251 ( -1.348 0.000 -10.504) 10.590 13.251 ( 1.348 0.000 -10.504) 10.590 13.864 ( -0.458 0.000 8.790) 8.802 13.864 ( 0.458 0.000 8.790) 8.802 14.431 ( -0.722 0.000 -14.348) 14.366 14.431 ( 0.722 0.000 -14.348) 14.366 17.977 ( -8.924 0.000 14.753) 17.243 17.977 ( 8.924 0.000 14.753) 17.243 18.108 ( -4.197 0.000 8.661) 9.625 18.108 ( 4.197 0.000 8.661) 9.625 20.804 ( -1.251 0.000 6.452) 6.572 20.804 ( 1.251 0.000 6.452) 6.572 21.110 ( -0.047 0.000 -5.784) 5.784 21.110 ( 0.047 0.000 -5.784) 5.784 22.833 ( -2.589 0.000 3.671) 4.492 22.833 ( 2.589 0.000 3.671) 4.492 23.010 ( -0.655 0.000 -2.978) 3.049 23.010 ( 0.655 0.000 -2.978) 3.049 28.578 ( -0.042 0.000 -0.208) 0.212 28.578 ( 0.042 0.000 -0.208) 0.212 28.602 ( -0.131 0.000 -1.228) 1.235 28.602 ( 0.131 0.000 -1.228) 1.235 29.669 ( -4.466 0.000 11.241) 12.096 29.669 ( 4.466 0.000 11.241) 12.096 29.944 ( -0.005 0.000 1.560) 1.560 29.944 ( 0.005 0.000 1.560) 1.560 30.204 ( -0.004 0.000 10.398) 10.398 30.204 ( 0.004 0.000 10.398) 10.398 30.501 ( -2.864 0.000 -0.964) 3.022 30.501 ( 2.864 0.000 -0.964) 3.022 30.956 ( -0.188 0.000 -3.740) 3.745 30.956 ( 0.188 0.000 -3.740) 3.745 31.113 ( -0.330 0.000 -9.504) 9.510 31.113 ( 0.330 0.000 -9.504) 9.510 31.656 ( -0.048 0.000 4.001) 4.001 31.656 ( 0.048 0.000 4.001) 4.001 31.974 ( -4.162 0.000 -10.386) 11.189 31.974 ( 4.162 0.000 -10.386) 11.189 ======================= Grid point 147 (53/72) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.000 -1.631 23.680) 23.736 2.498 ( 0.000 -3.593 15.502) 15.913 2.839 ( 0.000 3.107 9.102) 9.617 2.925 ( 0.000 -0.279 6.330) 6.336 3.115 ( 0.000 4.746 12.406) 13.282 3.237 ( 0.000 -2.078 1.147) 2.373 3.317 ( 0.000 -5.239 12.275) 13.346 3.360 ( 0.000 -0.706 4.401) 4.457 3.659 ( 0.000 6.734 6.665) 9.475 3.717 ( 0.000 4.145 -1.732) 4.492 3.894 ( 0.000 6.487 0.340) 6.496 3.965 ( 0.000 -4.091 -4.385) 5.997 3.976 ( 0.000 1.296 0.526) 1.398 4.201 ( 0.000 -1.348 -9.384) 9.480 4.215 ( 0.000 -6.557 9.655) 11.671 4.360 ( 0.000 -4.168 -7.511) 8.590 4.525 ( 0.000 3.511 3.463) 4.932 4.590 ( 0.000 -0.682 -5.694) 5.735 4.632 ( 0.000 2.606 -5.095) 5.722 4.667 ( 0.000 -2.729 4.883) 5.594 4.808 ( 0.000 -6.940 -1.679) 7.140 4.835 ( 0.000 -0.939 -2.068) 2.272 5.020 ( 0.000 1.717 3.180) 3.614 5.050 ( 0.000 0.903 2.262) 2.436 5.189 ( 0.000 -0.891 5.033) 5.111 5.301 ( 0.000 -6.039 12.520) 13.900 5.481 ( 0.000 -1.597 -5.092) 5.337 5.482 ( 0.000 3.597 5.889) 6.900 5.664 ( 0.000 3.203 0.711) 3.281 5.766 ( 0.000 2.849 0.689) 2.931 5.898 ( 0.000 6.075 -1.975) 6.388 5.903 ( 0.000 6.885 -0.237) 6.889 6.184 ( 0.000 -2.348 -5.799) 6.256 6.220 ( 0.000 -3.931 -4.757) 6.171 6.322 ( 0.000 -0.926 -5.512) 5.589 6.493 ( 0.000 -8.592 -10.405) 13.494 6.592 ( 0.000 4.679 1.861) 5.035 6.706 ( 0.000 0.221 -7.522) 7.526 7.098 ( 0.000 -3.408 0.039) 3.409 7.148 ( 0.000 -4.571 -3.197) 5.578 7.280 ( 0.000 4.967 3.764) 6.232 7.285 ( 0.000 0.906 -6.696) 6.757 7.350 ( 0.000 2.001 -5.446) 5.802 7.510 ( 0.000 -1.211 -6.297) 6.412 8.177 ( 0.000 0.841 15.875) 15.898 8.299 ( 0.000 -4.982 17.775) 18.460 8.653 ( 0.000 3.684 3.346) 4.977 8.728 ( 0.000 0.287 5.028) 5.036 8.990 ( 0.000 1.107 9.084) 9.151 9.017 ( 0.000 -1.001 7.488) 7.554 9.036 ( 0.000 3.204 10.302) 10.788 9.113 ( 0.000 0.916 7.575) 7.630 10.281 ( 0.000 0.715 21.648) 21.659 10.302 ( 0.000 0.000 21.633) 21.633 10.571 ( 0.000 1.667 7.352) 7.538 10.716 ( 0.000 -4.800 6.215) 7.853 10.839 ( 0.000 2.074 10.784) 10.981 10.989 ( 0.000 -3.696 6.392) 7.384 11.073 ( 0.000 3.508 2.411) 4.256 11.116 ( 0.000 0.217 5.175) 5.179 11.385 ( 0.000 2.284 -3.327) 4.036 11.518 ( 0.000 -3.475 -6.426) 7.305 12.114 ( 0.000 0.752 -35.488) 35.496 12.172 ( 0.000 -1.533 -36.816) 36.848 12.489 ( 0.000 3.130 -0.869) 3.249 12.624 ( 0.000 -1.661 1.911) 2.532 12.765 ( 0.000 2.111 -16.409) 16.544 12.857 ( 0.000 -1.443 -12.148) 12.234 13.035 ( 0.000 -2.505 0.189) 2.512 13.038 ( 0.000 -2.646 2.078) 3.364 13.259 ( 0.000 3.058 -5.175) 6.011 13.304 ( 0.000 0.997 -5.713) 5.799 13.579 ( 0.000 0.224 0.265) 0.347 13.602 ( 0.000 -0.756 2.301) 2.421 14.089 ( 0.000 1.079 -18.050) 18.083 14.141 ( 0.000 -0.912 -18.025) 18.048 17.671 ( 0.000 2.918 27.380) 27.535 17.887 ( 0.000 -5.497 23.164) 23.807 18.657 ( 0.000 2.388 -21.174) 21.308 18.768 ( 0.000 -1.987 -20.188) 20.286 19.801 ( 0.000 0.128 35.731) 35.732 19.820 ( 0.000 -0.544 37.267) 37.271 21.153 ( 0.000 0.559 -27.747) 27.752 21.179 ( 0.000 -0.442 -26.974) 26.977 22.999 ( 0.000 0.046 13.552) 13.552 23.018 ( 0.000 -0.746 13.377) 13.398 23.406 ( 0.000 0.656 -2.481) 2.567 23.421 ( 0.000 0.213 -3.439) 3.446 28.574 ( 0.000 -0.141 -0.113) 0.181 28.576 ( 0.000 -0.185 -0.237) 0.301 28.595 ( 0.000 0.246 -0.238) 0.343 28.602 ( 0.000 -0.057 -0.470) 0.473 29.467 ( 0.000 2.236 14.221) 14.396 29.645 ( 0.000 -5.952 12.034) 13.425 29.959 ( 0.000 5.443 -2.886) 6.161 30.108 ( 0.000 -1.634 -4.628) 4.908 30.115 ( 0.000 3.156 10.711) 11.166 30.301 ( 0.000 -4.500 7.756) 8.967 30.351 ( 0.000 6.159 8.481) 10.482 30.572 ( 0.000 -0.346 -8.803) 8.810 30.975 ( 0.000 -1.054 -4.248) 4.377 30.994 ( 0.000 0.415 -3.815) 3.838 31.141 ( 0.000 -3.208 2.400) 4.007 31.170 ( 0.000 -1.606 -0.538) 1.694 31.476 ( 0.000 -3.019 6.220) 6.914 31.581 ( 0.000 -3.828 2.909) 4.808 31.916 ( 0.000 8.844 -11.348) 14.387 32.101 ( 0.000 -0.666 -20.187) 20.198 ======================= Grid point 148 (54/72) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -18.561 2.672 19.526) 27.072 2.462 ( -0.875 -2.066 20.065) 20.190 2.590 ( -2.198 -1.000 15.440) 15.628 2.772 ( -10.258 -3.991 11.834) 16.161 3.099 ( -10.086 -4.196 -0.507) 10.936 3.210 ( 2.170 4.842 1.332) 5.470 3.258 ( -5.136 3.386 -0.366) 6.163 3.451 ( 0.970 -2.042 -0.537) 2.324 3.624 ( -4.149 3.807 1.161) 5.749 3.712 ( -4.403 2.085 -3.941) 6.266 3.839 ( -3.062 -3.085 -0.576) 4.384 3.967 ( 1.823 3.621 6.135) 7.353 4.026 ( 3.025 0.588 1.477) 3.418 4.138 ( -0.238 -2.970 -0.496) 3.020 4.273 ( -6.311 -2.341 -10.652) 12.601 4.357 ( 1.699 -2.245 0.260) 2.828 4.424 ( 0.892 -3.883 2.736) 4.833 4.515 ( -5.185 2.218 -0.923) 5.714 4.596 ( -3.807 0.122 1.306) 4.026 4.706 ( -3.130 4.946 0.867) 5.917 4.799 ( -0.304 -5.508 -2.629) 6.111 4.871 ( 1.375 0.968 -6.224) 6.447 4.945 ( -5.314 0.465 0.323) 5.344 5.064 ( 3.473 -0.678 -3.361) 4.880 5.154 ( -0.761 0.235 3.338) 3.432 5.397 ( 2.594 -5.166 1.376) 5.942 5.473 ( 0.189 0.240 -3.343) 3.357 5.546 ( -1.543 3.744 -1.206) 4.225 5.613 ( 0.935 4.680 3.564) 5.956 5.782 ( 3.990 1.349 3.469) 5.456 5.840 ( 0.205 1.168 -0.302) 1.223 5.968 ( -0.525 6.614 -4.508) 8.021 6.081 ( -1.663 -5.760 7.330) 9.470 6.217 ( 2.971 -2.019 -0.010) 3.592 6.355 ( 3.864 -0.540 3.781) 5.433 6.471 ( 2.846 -3.852 4.009) 6.245 6.719 ( 4.382 -3.469 0.015) 5.589 6.847 ( 5.644 -2.465 -3.807) 7.240 7.043 ( 1.637 3.104 5.834) 6.808 7.160 ( -1.089 3.038 3.921) 5.078 7.233 ( -3.034 0.305 3.860) 4.919 7.386 ( 0.316 -1.729 -1.157) 2.104 7.601 ( 20.218 1.801 -14.926) 25.195 7.666 ( 19.519 0.988 -18.233) 26.728 8.117 ( -4.355 1.610 15.343) 16.030 8.274 ( -2.367 -4.375 14.917) 15.724 8.600 ( -4.283 3.038 2.669) 5.890 8.692 ( -2.839 -0.444 4.414) 5.267 8.980 ( -0.169 -0.961 8.575) 8.630 9.024 ( 1.286 -1.237 5.930) 6.193 9.118 ( 5.365 2.522 11.269) 12.733 9.161 ( 3.710 1.772 8.752) 9.670 10.216 ( -5.085 -0.072 24.121) 24.651 10.249 ( -5.459 1.019 20.571) 21.307 10.529 ( -3.657 -1.476 8.671) 9.526 10.729 ( 0.949 -0.956 4.028) 4.247 10.767 ( -4.752 0.765 9.969) 11.070 10.934 ( -3.312 -2.427 3.365) 5.309 11.136 ( 1.882 1.446 4.464) 5.056 11.158 ( 2.655 1.574 4.373) 5.352 11.387 ( 0.718 2.708 -2.241) 3.587 11.564 ( 2.755 -3.663 -6.459) 7.920 12.022 ( -10.487 -0.711 -23.483) 25.728 12.095 ( -6.155 1.515 -24.034) 24.856 12.400 ( -3.313 1.070 -14.794) 15.198 12.476 ( -8.422 -1.218 -6.942) 10.982 12.684 ( -6.423 1.037 -15.733) 17.025 12.803 ( -6.197 -0.470 -15.117) 16.345 13.030 ( -1.202 -2.739 -3.027) 4.256 13.101 ( 0.233 -0.787 -3.785) 3.873 13.233 ( -0.857 1.678 -3.563) 4.030 13.281 ( -0.314 0.349 -6.107) 6.125 13.649 ( 6.424 -0.263 3.917) 7.529 13.682 ( 6.298 0.302 3.627) 7.274 14.195 ( 8.486 0.831 -16.750) 18.796 14.235 ( 7.563 -0.628 -16.580) 18.234 17.709 ( 3.651 2.697 25.540) 25.940 17.901 ( 1.420 -4.715 21.523) 22.080 18.516 ( -11.428 1.416 -11.119) 16.007 18.582 ( -14.650 -1.049 -8.522) 16.980 20.029 ( 18.748 -0.414 27.608) 33.375 20.052 ( 19.916 -0.071 24.612) 31.661 21.201 ( 3.528 0.039 -25.489) 25.732 21.211 ( 2.312 -0.229 -24.500) 24.610 22.933 ( -6.744 -0.243 13.232) 14.854 22.937 ( -5.595 -0.184 12.992) 14.146 23.333 ( -6.890 0.307 -3.250) 7.625 23.348 ( -6.815 0.390 -3.763) 7.795 28.565 ( -0.275 -0.358 0.245) 0.513 28.578 ( -0.103 0.042 -0.067) 0.129 28.602 ( 0.371 0.093 -0.869) 0.949 28.604 ( 0.199 0.102 -0.823) 0.853 29.501 ( 3.144 2.232 13.673) 14.206 29.673 ( 2.573 -5.510 11.266) 12.803 29.948 ( -1.915 3.507 -0.461) 4.022 30.033 ( -2.419 3.006 3.032) 4.907 30.164 ( 0.129 -1.750 4.043) 4.407 30.271 ( -0.532 -0.517 8.847) 8.878 30.401 ( 2.986 3.327 5.301) 6.935 30.572 ( 0.088 -0.093 -8.420) 8.421 30.954 ( -0.708 0.967 -3.024) 3.253 31.016 ( -0.441 -2.126 -2.899) 3.621 31.086 ( -2.660 0.778 -1.812) 3.311 31.154 ( -1.458 -5.264 -1.714) 5.725 31.534 ( 4.373 -1.882 5.645) 7.384 31.609 ( 2.418 -2.931 2.872) 4.763 31.904 ( -0.851 7.653 -10.470) 12.996 32.094 ( -0.873 -0.967 -18.446) 18.492 ======================= Grid point 149 (55/72) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -3.285 1.895 9.205) 9.956 2.354 ( -6.593 -2.494 4.923) 8.598 2.565 ( -5.461 -0.228 2.000) 5.820 2.670 ( -5.340 -3.078 4.469) 7.613 2.924 ( -4.105 -2.818 0.889) 5.058 3.067 ( -9.127 3.219 -2.435) 9.979 3.192 ( -8.350 1.250 -1.177) 8.525 3.293 ( -13.195 1.730 -4.035) 13.907 3.518 ( -0.213 -0.034 7.731) 7.734 3.652 ( 1.104 2.982 5.760) 6.579 3.828 ( -0.600 -5.464 4.678) 7.217 3.923 ( -4.786 1.644 6.880) 8.541 4.045 ( -2.668 1.180 1.404) 3.237 4.105 ( -0.704 -0.741 -2.022) 2.266 4.232 ( 0.544 -1.650 -1.848) 2.536 4.331 ( -0.542 -1.776 -1.871) 2.636 4.415 ( -3.078 -2.868 -1.309) 4.406 4.478 ( -0.849 4.487 -5.630) 7.249 4.568 ( -1.480 0.354 -2.993) 3.358 4.682 ( 5.905 0.527 -1.284) 6.066 4.777 ( -3.525 -3.785 -1.801) 5.476 4.798 ( -0.735 -2.594 -1.650) 3.161 4.995 ( 4.162 1.750 -5.584) 7.181 5.078 ( 0.610 4.838 -5.702) 7.502 5.199 ( 0.313 -3.931 -5.845) 7.051 5.295 ( -6.177 1.780 -7.122) 9.593 5.434 ( -5.332 3.431 -2.483) 6.809 5.518 ( 1.338 3.950 -4.535) 6.161 5.699 ( 5.641 0.417 2.129) 6.043 5.815 ( -0.904 0.931 1.318) 1.850 5.920 ( 0.696 1.684 4.587) 4.936 6.002 ( -2.480 -1.301 3.448) 4.442 6.107 ( 13.255 -0.356 11.281) 17.409 6.374 ( 8.141 -5.918 0.806) 10.097 6.464 ( 6.241 -5.378 14.806) 16.944 6.607 ( 7.110 -5.742 3.969) 9.964 6.696 ( -0.177 0.432 6.700) 6.716 6.906 ( -4.890 -1.882 9.857) 11.163 7.027 ( -5.787 3.992 4.974) 8.612 7.092 ( -2.310 3.980 5.047) 6.830 7.291 ( 6.029 0.650 9.673) 11.417 7.403 ( 6.749 5.682 6.134) 10.745 7.918 ( 1.366 -0.031 7.094) 7.224 7.996 ( 3.490 -1.895 -1.849) 4.381 8.159 ( 14.848 1.855 -7.024) 16.530 8.260 ( 5.371 -0.188 -3.463) 6.394 8.519 ( -2.769 1.190 -3.343) 4.501 8.657 ( -0.724 -1.260 -1.433) 2.041 8.975 ( 0.383 -3.291 8.319) 8.954 9.074 ( 3.927 -0.290 5.832) 7.036 9.198 ( 0.057 0.762 8.032) 8.069 9.217 ( 1.804 2.241 10.287) 10.682 10.126 ( -2.010 -0.246 21.211) 21.307 10.149 ( -1.421 -0.061 21.926) 21.972 10.426 ( -7.189 -3.305 10.690) 13.299 10.610 ( -11.919 1.268 9.157) 15.084 10.767 ( 3.261 0.297 3.889) 5.084 10.884 ( -0.944 -2.757 2.353) 3.746 11.099 ( -6.415 1.227 4.117) 7.720 11.156 ( -2.245 3.034 2.814) 4.708 11.421 ( 2.495 2.273 0.321) 3.390 11.546 ( -4.042 -1.002 -4.017) 5.785 11.848 ( -3.395 -2.589 -8.426) 9.446 11.998 ( -1.499 2.079 -9.750) 10.082 12.376 ( -0.360 0.656 -21.960) 21.973 12.405 ( 0.661 0.764 -23.801) 23.822 12.552 ( -5.388 0.004 -21.177) 21.851 12.651 ( -7.393 -0.769 -20.996) 22.273 12.976 ( -2.936 -2.599 -3.876) 5.513 13.050 ( -3.219 0.203 -2.794) 4.267 13.235 ( 0.425 0.621 -8.154) 8.188 13.273 ( -1.048 -0.471 -10.235) 10.300 13.793 ( 6.239 0.035 7.626) 9.854 13.810 ( 5.272 0.122 7.948) 9.538 14.360 ( 6.501 0.552 -15.155) 16.500 14.381 ( 5.521 -0.190 -14.900) 15.891 17.818 ( 7.029 2.054 20.666) 21.925 17.952 ( 3.670 -2.979 17.176) 17.814 18.269 ( -12.630 -0.116 2.940) 12.968 18.279 ( -12.686 0.169 2.296) 12.893 20.468 ( 22.167 -0.021 15.456) 27.023 20.503 ( 22.049 -0.479 12.779) 25.489 21.211 ( -3.621 -0.257 -15.556) 15.974 21.226 ( -3.137 -0.373 -16.334) 16.636 22.811 ( -2.728 0.597 9.832) 10.220 22.843 ( -2.270 -0.591 8.302) 8.627 23.146 ( -10.454 -0.191 -3.855) 11.144 23.168 ( -9.921 0.568 -4.128) 10.760 28.567 ( 0.356 -0.349 0.058) 0.502 28.577 ( 0.114 -0.098 -0.225) 0.271 28.600 ( -0.426 0.154 -0.967) 1.068 28.611 ( 0.235 0.194 -1.242) 1.279 29.585 ( 4.712 2.026 12.230) 13.262 29.728 ( 1.827 -2.948 10.078) 10.658 29.880 ( -3.345 0.348 4.374) 5.518 30.018 ( -0.226 2.360 3.454) 4.189 30.131 ( -1.992 -2.540 5.782) 6.622 30.281 ( 0.571 1.300 8.562) 8.678 30.457 ( 2.578 1.805 0.178) 3.152 30.569 ( -0.713 1.636 -5.496) 5.779 30.937 ( -1.155 -0.438 -2.386) 2.687 30.989 ( -0.306 -0.120 -2.937) 2.955 31.045 ( -2.298 -2.181 -4.765) 5.722 31.146 ( 0.617 -2.132 -6.663) 7.023 31.613 ( 2.860 -0.441 4.537) 5.381 31.662 ( 2.172 -0.737 2.642) 3.499 31.900 ( 0.823 3.244 -9.111) 9.706 32.058 ( -2.600 -0.747 -14.564) 14.813 ======================= Grid point 150 (56/72) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -18.015 -1.952 -7.048) 19.443 2.271 ( 18.015 -1.868 -7.086) 19.449 2.363 ( 0.000 1.369 -12.432) 12.507 2.453 ( -0.000 3.196 -11.509) 11.944 2.933 ( 0.000 -0.482 5.360) 5.381 2.983 ( -0.000 -0.534 5.377) 5.404 3.093 ( -0.000 -2.617 4.847) 5.508 3.107 ( -0.000 -3.386 8.496) 9.146 3.564 ( -0.000 4.644 10.301) 11.300 3.682 ( -0.000 0.501 16.019) 16.027 3.819 ( -0.000 -0.518 8.950) 8.965 3.838 ( 0.000 -1.375 5.994) 6.150 4.011 ( 0.000 3.277 -1.242) 3.504 4.116 ( -0.000 3.523 -0.719) 3.595 4.200 ( 0.000 -3.381 -1.031) 3.534 4.319 ( 0.000 -3.778 -5.414) 6.602 4.439 ( -0.000 1.481 -0.234) 1.499 4.447 ( 0.000 1.056 -6.269) 6.358 4.564 ( 0.000 -1.149 -8.642) 8.718 4.670 ( -0.000 -3.910 -4.604) 6.040 4.762 ( -0.000 -0.067 -1.530) 1.531 4.902 ( 0.000 5.594 -1.890) 5.904 4.981 ( -0.000 -4.383 -4.848) 6.535 5.094 ( 0.000 2.690 -10.991) 11.316 5.163 ( 0.000 -4.123 -7.022) 8.143 5.294 ( 0.000 -0.135 -8.663) 8.664 5.345 ( -0.000 5.406 1.529) 5.618 5.530 ( 0.000 8.672 -5.663) 10.357 5.750 ( 0.000 -3.658 0.761) 3.737 5.842 ( -0.000 -5.499 -1.046) 5.598 5.874 ( 0.000 -0.963 8.430) 8.485 5.971 ( -0.000 1.086 1.737) 2.048 6.381 ( -0.000 2.609 16.264) 16.472 6.400 ( 0.000 -0.356 8.368) 8.375 6.525 ( -0.000 -6.774 3.645) 7.692 6.647 ( 0.000 -2.876 13.425) 13.730 6.784 ( -0.000 1.290 3.843) 4.054 6.856 ( 0.000 -3.231 2.802) 4.277 6.881 ( -0.000 4.287 6.465) 7.758 7.026 ( 0.000 0.367 5.720) 5.732 7.395 ( 0.000 1.509 19.096) 19.155 7.540 ( 0.000 7.934 14.252) 16.312 7.909 ( -0.000 -2.019 11.174) 11.355 7.913 ( 0.000 -1.312 12.620) 12.688 8.343 ( 0.000 0.484 -5.587) 5.608 8.428 ( 0.000 3.453 -12.667) 13.129 8.481 ( 0.000 -3.983 -7.001) 8.054 8.613 ( 0.000 1.649 -10.807) 10.932 9.024 ( 0.000 -3.608 3.523) 5.043 9.151 ( 0.000 -0.470 11.729) 11.739 9.168 ( 0.000 0.100 7.806) 7.806 9.197 ( 0.000 2.410 3.471) 4.226 10.172 ( 0.000 -0.738 15.678) 15.695 10.198 ( 0.000 0.057 18.082) 18.082 10.275 ( -0.000 -4.009 14.982) 15.509 10.387 ( 0.000 0.809 13.112) 13.137 10.831 ( 0.000 -1.978 3.563) 4.075 10.927 ( 0.000 -2.208 1.857) 2.885 10.937 ( -0.000 2.480 6.289) 6.760 11.123 ( 0.000 3.942 3.043) 4.980 11.472 ( 0.000 1.593 0.947) 1.853 11.483 ( -0.000 1.666 -1.798) 2.451 11.827 ( 0.000 -4.045 -5.524) 6.847 12.000 ( 0.000 2.275 -8.246) 8.554 12.392 ( 0.000 2.429 -22.667) 22.797 12.400 ( -0.000 2.262 -23.248) 23.357 12.522 ( 0.000 -2.157 -25.138) 25.230 12.540 ( -0.000 -1.553 -26.649) 26.694 12.942 ( 0.000 -2.529 -3.505) 4.322 13.013 ( 0.000 0.407 -1.836) 1.880 13.246 ( -0.000 -0.249 -9.250) 9.253 13.251 ( 0.000 -0.104 -12.500) 12.501 13.864 ( -0.000 0.026 8.818) 8.818 13.866 ( 0.000 0.091 9.006) 9.006 14.434 ( 0.000 0.213 -14.533) 14.534 14.434 ( -0.000 0.227 -14.239) 14.240 17.978 ( -0.000 0.487 14.055) 14.064 17.997 ( 0.000 1.205 14.509) 14.559 18.085 ( -0.000 -1.472 9.270) 9.386 18.104 ( 0.000 -0.761 9.670) 9.700 20.784 ( 0.000 -0.837 6.263) 6.319 20.819 ( 0.000 0.439 6.428) 6.443 21.088 ( -0.000 -1.047 -6.232) 6.320 21.121 ( -0.000 0.226 -5.391) 5.396 22.835 ( 0.000 0.135 3.747) 3.749 22.836 ( -0.000 0.148 3.615) 3.618 22.996 ( -0.000 -0.527 -2.541) 2.595 23.025 ( -0.000 0.576 -3.503) 3.550 28.572 ( 0.000 -0.134 -0.344) 0.370 28.586 ( -0.000 -0.729 -0.940) 1.190 28.587 ( 0.000 0.395 -0.222) 0.454 28.613 ( 0.000 0.376 -1.280) 1.334 29.660 ( -0.000 0.481 9.822) 9.833 29.721 ( 0.000 3.088 12.358) 12.738 29.853 ( 0.000 -3.670 2.940) 4.702 30.010 ( 0.000 -0.525 8.585) 8.601 30.111 ( -0.000 -0.905 3.231) 3.356 30.285 ( 0.000 1.814 9.537) 9.708 30.495 ( -0.000 -0.504 -5.087) 5.112 30.550 ( 0.000 4.410 -0.666) 4.460 30.925 ( 0.000 -1.772 -3.750) 4.148 31.000 ( 0.000 -5.433 -6.387) 8.385 31.006 ( -0.000 3.263 -2.406) 4.054 31.155 ( 0.000 -0.493 -8.319) 8.333 31.643 ( 0.000 0.123 3.684) 3.686 31.684 ( -0.000 1.220 2.931) 3.175 31.924 ( 0.000 -2.077 -9.786) 10.004 32.015 ( 0.000 1.425 -11.455) 11.543 ======================= Grid point 154 (57/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 -2.312 21.024) 21.150 2.427 ( 0.000 2.312 21.024) 21.150 2.898 ( 0.000 -2.040 8.722) 8.957 2.898 ( 0.000 2.040 8.722) 8.957 3.198 ( 0.000 -0.782 3.234) 3.327 3.198 ( 0.000 0.782 3.234) 3.327 3.294 ( 0.000 -3.747 10.775) 11.408 3.294 ( 0.000 3.747 10.775) 11.408 3.816 ( 0.000 -2.013 -4.273) 4.723 3.816 ( 0.000 2.013 -4.273) 4.723 3.876 ( 0.000 -2.151 0.889) 2.328 3.876 ( 0.000 2.151 0.889) 2.328 4.074 ( 0.000 -6.222 4.979) 7.969 4.074 ( 0.000 6.222 4.979) 7.969 4.246 ( 0.000 -5.455 -4.255) 6.918 4.246 ( 0.000 5.455 -4.255) 6.918 4.559 ( 0.000 -0.274 -2.658) 2.672 4.559 ( 0.000 0.274 -2.658) 2.672 4.672 ( 0.000 -1.868 -0.485) 1.930 4.672 ( 0.000 1.868 -0.485) 1.930 4.769 ( 0.000 -4.030 -4.252) 5.859 4.769 ( 0.000 4.030 -4.252) 5.859 5.057 ( 0.000 -0.424 4.178) 4.199 5.057 ( 0.000 0.424 4.178) 4.199 5.194 ( 0.000 -2.100 9.891) 10.111 5.194 ( 0.000 2.100 9.891) 10.111 5.476 ( 0.000 -0.907 0.337) 0.968 5.476 ( 0.000 0.907 0.337) 0.968 5.759 ( 0.000 -2.837 1.805) 3.362 5.759 ( 0.000 2.837 1.805) 3.362 6.051 ( 0.000 -0.510 -3.023) 3.066 6.051 ( 0.000 0.510 -3.023) 3.066 6.113 ( 0.000 -0.097 -0.499) 0.508 6.113 ( 0.000 0.097 -0.499) 0.508 6.338 ( 0.000 -3.953 -7.019) 8.055 6.338 ( 0.000 3.953 -7.019) 8.055 6.680 ( 0.000 -1.231 -8.140) 8.233 6.680 ( 0.000 1.231 -8.140) 8.233 7.070 ( 0.000 -0.679 0.555) 0.877 7.070 ( 0.000 0.679 0.555) 0.877 7.315 ( 0.000 -0.838 1.035) 1.331 7.315 ( 0.000 0.838 1.035) 1.331 7.439 ( 0.000 -5.176 -10.051) 11.305 7.439 ( 0.000 5.176 -10.051) 11.305 8.214 ( 0.000 -2.763 16.331) 16.563 8.214 ( 0.000 2.763 16.331) 16.563 8.713 ( 0.000 -1.837 5.221) 5.535 8.713 ( 0.000 1.837 5.221) 5.535 9.008 ( 0.000 -0.176 7.498) 7.501 9.008 ( 0.000 0.176 7.498) 7.501 9.098 ( 0.000 -2.194 9.815) 10.057 9.098 ( 0.000 2.194 9.815) 10.057 10.296 ( 0.000 -0.303 21.930) 21.932 10.296 ( 0.000 0.303 21.930) 21.932 10.626 ( 0.000 -2.771 6.012) 6.620 10.626 ( 0.000 2.771 6.012) 6.620 10.902 ( 0.000 -3.285 9.016) 9.596 10.902 ( 0.000 3.285 9.016) 9.596 11.119 ( 0.000 -0.346 4.527) 4.540 11.119 ( 0.000 0.346 4.527) 4.540 11.442 ( 0.000 -3.242 -5.837) 6.677 11.442 ( 0.000 3.242 -5.837) 6.677 12.138 ( 0.000 -1.308 -36.113) 36.137 12.138 ( 0.000 1.308 -36.113) 36.137 12.567 ( 0.000 -3.700 -0.039) 3.700 12.567 ( 0.000 3.700 -0.039) 3.700 12.816 ( 0.000 -1.955 -13.347) 13.490 12.816 ( 0.000 1.955 -13.347) 13.490 13.005 ( 0.000 -0.008 -0.576) 0.576 13.005 ( 0.000 0.008 -0.576) 0.576 13.306 ( 0.000 -0.917 -4.114) 4.215 13.306 ( 0.000 0.917 -4.114) 4.215 13.587 ( 0.000 -0.361 1.360) 1.407 13.587 ( 0.000 0.361 1.360) 1.407 14.116 ( 0.000 -1.370 -18.008) 18.060 14.116 ( 0.000 1.370 -18.008) 18.060 17.762 ( 0.000 -5.674 25.698) 26.317 17.762 ( 0.000 5.674 25.698) 26.317 18.715 ( 0.000 -2.904 -20.677) 20.880 18.715 ( 0.000 2.904 -20.677) 20.880 19.808 ( 0.000 -0.381 36.677) 36.679 19.808 ( 0.000 0.381 36.677) 36.679 21.167 ( 0.000 -0.720 -27.406) 27.416 21.167 ( 0.000 0.720 -27.406) 27.416 23.004 ( 0.000 -0.445 13.462) 13.469 23.004 ( 0.000 0.445 13.462) 13.469 23.419 ( 0.000 -0.420 -3.098) 3.126 23.419 ( 0.000 0.420 -3.098) 3.126 28.573 ( 0.000 -0.018 -0.228) 0.228 28.573 ( 0.000 0.018 -0.228) 0.228 28.600 ( 0.000 -0.146 -0.254) 0.293 28.600 ( 0.000 0.146 -0.254) 0.293 29.536 ( 0.000 -4.324 13.241) 13.929 29.536 ( 0.000 4.324 13.241) 13.929 30.053 ( 0.000 -3.432 -3.658) 5.016 30.053 ( 0.000 3.432 -3.658) 5.016 30.200 ( 0.000 -4.554 8.663) 9.787 30.200 ( 0.000 4.554 8.663) 9.787 30.501 ( 0.000 -6.536 -0.129) 6.537 30.501 ( 0.000 6.536 -0.129) 6.537 30.970 ( 0.000 -1.110 -0.118) 1.117 30.970 ( 0.000 1.110 -0.118) 1.117 31.129 ( 0.000 -1.859 -2.458) 3.082 31.129 ( 0.000 1.859 -2.458) 3.082 31.495 ( 0.000 -3.580 5.798) 6.815 31.495 ( 0.000 3.580 5.798) 6.815 32.054 ( 0.000 -4.199 -17.118) 17.625 32.054 ( 0.000 4.199 -17.118) 17.625 ======================= Grid point 156 (58/72) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -1.496 0.000 17.039) 17.104 2.422 ( -13.032 0.000 19.780) 23.687 2.584 ( -8.208 -0.000 18.026) 19.807 2.714 ( -11.070 0.000 15.061) 18.691 3.045 ( -8.875 0.000 1.447) 8.992 3.258 ( -2.262 0.000 9.512) 9.777 3.348 ( -1.498 0.000 -4.561) 4.800 3.388 ( 6.409 0.000 1.157) 6.513 3.660 ( -3.550 0.000 -11.282) 11.827 3.745 ( -9.418 -0.000 -0.717) 9.445 3.865 ( -6.559 0.000 -6.520) 9.248 3.976 ( -2.466 0.000 -5.508) 6.035 4.033 ( 2.010 0.000 5.026) 5.413 4.073 ( 4.624 0.000 4.961) 6.782 4.257 ( -6.485 0.000 -9.382) 11.406 4.313 ( 4.889 -0.000 3.080) 5.779 4.383 ( 0.118 0.000 5.233) 5.234 4.540 ( -4.063 0.000 -3.334) 5.255 4.609 ( -4.831 0.000 -0.696) 4.881 4.710 ( -1.176 -0.000 -2.965) 3.190 4.812 ( -6.579 0.000 3.625) 7.511 4.876 ( 6.815 0.000 -6.514) 9.427 4.949 ( -8.099 0.000 4.304) 9.172 5.017 ( 7.477 0.000 -7.292) 10.445 5.196 ( -0.698 0.000 3.327) 3.399 5.311 ( 7.398 0.000 3.416) 8.149 5.511 ( -0.082 0.000 -0.752) 0.757 5.515 ( -0.335 -0.000 -5.078) 5.089 5.715 ( 5.015 0.000 9.052) 10.348 5.802 ( 2.012 0.000 5.524) 5.878 5.891 ( -5.181 0.000 1.744) 5.467 5.980 ( -4.352 0.000 4.024) 5.928 6.069 ( 0.498 0.000 -0.959) 1.080 6.180 ( 3.288 0.000 -0.325) 3.304 6.343 ( -3.671 0.000 0.644) 3.727 6.413 ( 2.493 0.000 -1.211) 2.771 6.645 ( 6.695 -0.000 -0.560) 6.719 6.838 ( 5.276 0.000 -1.530) 5.493 7.102 ( 3.772 0.000 5.608) 6.758 7.175 ( 4.565 -0.000 1.360) 4.764 7.271 ( -3.552 0.000 4.842) 6.005 7.331 ( 0.824 0.000 0.717) 1.092 7.648 ( 17.835 0.000 -12.206) 21.612 7.658 ( 20.547 0.000 -20.787) 29.228 8.147 ( -4.141 0.000 17.183) 17.675 8.212 ( -0.988 0.000 10.381) 10.428 8.646 ( -5.375 -0.000 3.087) 6.199 8.671 ( -3.642 0.000 6.759) 7.678 8.973 ( -1.633 0.000 6.703) 6.899 9.017 ( 1.115 0.000 5.697) 5.805 9.158 ( 4.791 0.000 13.298) 14.135 9.168 ( 4.040 0.000 8.687) 9.581 10.216 ( -5.017 0.000 24.807) 25.309 10.262 ( -5.720 0.000 20.127) 20.924 10.507 ( -5.437 0.000 8.597) 10.172 10.722 ( 2.555 0.000 1.476) 2.950 10.778 ( -4.294 0.000 9.447) 10.377 10.899 ( -3.756 -0.000 5.592) 6.736 11.152 ( 2.388 0.000 6.578) 6.998 11.179 ( 2.356 0.000 4.293) 4.897 11.453 ( 1.590 0.000 -0.856) 1.806 11.485 ( 2.459 -0.000 -9.511) 9.824 12.017 ( -10.569 0.000 -24.658) 26.827 12.109 ( -4.905 0.000 -25.405) 25.874 12.436 ( -5.852 0.000 -11.331) 12.752 12.440 ( -6.693 -0.000 -8.436) 10.769 12.701 ( -7.098 -0.000 -13.936) 15.639 12.793 ( -5.605 0.000 -16.113) 17.060 12.998 ( -0.998 0.000 -3.693) 3.825 13.089 ( 0.981 0.000 -5.336) 5.426 13.253 ( -1.517 0.000 -2.052) 2.552 13.286 ( -1.215 0.000 -5.844) 5.969 13.646 ( 6.467 0.000 4.815) 8.062 13.685 ( 6.536 0.000 2.851) 7.131 14.212 ( 8.045 0.000 -16.772) 18.602 14.221 ( 8.083 0.000 -16.515) 18.388 17.789 ( 2.750 0.000 23.990) 24.147 17.794 ( 2.947 -0.000 23.799) 23.981 18.543 ( -13.118 -0.000 -8.933) 15.871 18.560 ( -13.062 0.000 -10.597) 16.820 20.024 ( 19.121 0.000 27.269) 33.304 20.051 ( 19.521 0.000 25.124) 31.817 21.204 ( 2.642 -0.000 -24.935) 25.075 21.205 ( 2.868 0.000 -25.038) 25.202 22.930 ( -6.074 0.000 12.838) 14.203 22.935 ( -5.971 0.000 13.288) 14.568 23.338 ( -7.326 0.000 -3.618) 8.171 23.353 ( -6.564 0.000 -3.622) 7.497 28.561 ( -0.349 0.000 0.250) 0.429 28.578 ( -0.106 0.000 -0.190) 0.218 28.604 ( 0.525 0.000 -0.760) 0.924 28.605 ( 0.138 0.000 -0.725) 0.738 29.562 ( 2.688 0.000 12.418) 12.706 29.576 ( 3.491 -0.000 12.783) 13.251 29.994 ( -3.777 0.000 0.275) 3.787 30.068 ( -0.947 0.000 -0.787) 1.231 30.142 ( -2.243 0.000 7.050) 7.398 30.251 ( 2.217 0.000 7.308) 7.637 30.486 ( -0.483 0.000 -2.849) 2.890 30.544 ( 2.878 0.000 -0.415) 2.908 30.960 ( -0.716 -0.000 0.894) 1.145 30.984 ( 0.012 0.000 -1.234) 1.234 31.092 ( -1.901 -0.000 -3.372) 3.871 31.094 ( -2.294 0.000 -3.080) 3.840 31.545 ( 4.270 -0.000 5.510) 6.971 31.547 ( 3.862 0.000 4.550) 5.969 32.014 ( -2.769 0.000 -15.272) 15.521 32.061 ( -0.440 0.000 -16.206) 16.212 ======================= Grid point 158 (59/72) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -6.670 0.000 10.286) 12.259 2.322 ( -3.140 0.000 2.875) 4.258 2.569 ( -5.781 -0.000 5.912) 8.269 2.620 ( -2.078 0.000 3.317) 3.914 2.895 ( -3.281 0.000 5.930) 6.777 3.132 ( -11.198 0.000 -0.406) 11.205 3.198 ( -8.441 0.000 4.645) 9.635 3.253 ( -19.111 -0.000 -5.095) 19.779 3.636 ( 2.454 0.000 8.580) 8.924 3.651 ( 2.428 -0.000 -4.932) 5.498 3.764 ( -1.700 0.000 -4.166) 4.500 3.894 ( -5.597 0.000 7.568) 9.413 4.069 ( -1.858 0.000 -3.968) 4.381 4.082 ( 2.431 0.000 1.529) 2.872 4.234 ( 1.746 0.000 -8.251) 8.433 4.295 ( -5.602 -0.000 -0.774) 5.655 4.386 ( 1.845 0.000 4.217) 4.603 4.553 ( 1.725 0.000 -5.590) 5.850 4.572 ( -2.108 0.000 -4.288) 4.778 4.682 ( -2.592 -0.000 -0.464) 2.633 4.704 ( -0.132 0.000 -0.123) 0.180 4.774 ( 0.224 -0.000 2.629) 2.639 5.014 ( 3.092 0.000 -7.028) 7.679 5.134 ( 1.654 0.000 -7.163) 7.352 5.167 ( -2.101 0.000 -4.521) 4.986 5.337 ( -5.662 0.000 -8.715) 10.393 5.471 ( -2.728 -0.000 -0.809) 2.846 5.536 ( 6.139 0.000 -4.434) 7.572 5.765 ( -2.493 -0.000 3.073) 3.957 5.788 ( -1.730 0.000 7.119) 7.326 5.914 ( -3.040 0.000 6.723) 7.378 6.010 ( -0.572 0.000 3.296) 3.346 6.109 ( 13.305 0.000 8.558) 15.820 6.273 ( 6.915 -0.000 2.241) 7.269 6.452 ( 13.014 -0.000 9.723) 16.245 6.486 ( 6.762 0.000 2.376) 7.167 6.723 ( 1.016 0.000 9.865) 9.917 6.863 ( -5.746 0.000 9.771) 11.335 7.080 ( -3.332 0.000 6.157) 7.001 7.147 ( -8.667 0.000 2.306) 8.969 7.310 ( 6.720 0.000 10.526) 12.488 7.459 ( 12.170 0.000 4.956) 13.140 7.921 ( 2.651 -0.000 5.608) 6.204 7.970 ( -1.578 0.000 3.795) 4.110 8.177 ( 14.612 0.000 -5.893) 15.755 8.265 ( 8.419 0.000 -9.342) 12.576 8.535 ( -4.330 0.000 -3.399) 5.505 8.635 ( 0.567 0.000 0.390) 0.688 8.937 ( -0.788 0.000 7.154) 7.197 9.077 ( 4.562 0.000 4.936) 6.721 9.204 ( -1.327 0.000 9.171) 9.266 9.241 ( 2.097 0.000 10.894) 11.094 10.131 ( -3.529 -0.000 18.770) 19.098 10.139 ( -1.110 0.000 24.004) 24.030 10.385 ( -7.474 0.000 10.980) 13.282 10.622 ( -11.766 0.000 8.499) 14.515 10.781 ( 2.110 0.000 1.686) 2.700 10.844 ( 0.100 -0.000 3.871) 3.873 11.112 ( -6.695 0.000 5.242) 8.503 11.194 ( -1.361 0.000 4.106) 4.326 11.473 ( 0.881 0.000 1.246) 1.526 11.509 ( -0.100 -0.000 -5.805) 5.806 11.823 ( -5.342 0.000 -8.877) 10.361 12.018 ( -1.461 0.000 -10.563) 10.663 12.393 ( 0.926 -0.000 -22.558) 22.577 12.406 ( 1.792 0.000 -23.364) 23.432 12.558 ( -6.377 -0.000 -19.921) 20.917 12.636 ( -8.321 0.000 -20.756) 22.362 12.945 ( -2.952 0.000 -4.188) 5.124 13.050 ( -2.888 0.000 -2.965) 4.139 13.246 ( -0.086 -0.000 -6.788) 6.789 13.265 ( -1.192 0.000 -11.627) 11.688 13.794 ( 6.427 0.000 8.184) 10.406 13.812 ( 5.054 0.000 7.585) 9.114 14.371 ( 6.221 0.000 -15.272) 16.490 14.375 ( 5.897 0.000 -14.819) 15.949 17.875 ( 5.608 0.000 19.187) 19.990 17.883 ( 5.791 -0.000 19.050) 19.911 18.268 ( -12.690 0.000 3.172) 13.080 18.281 ( -12.918 0.000 2.425) 13.144 20.468 ( 22.034 0.000 14.679) 26.476 20.496 ( 22.172 0.000 13.411) 25.912 21.208 ( -4.008 0.000 -15.891) 16.389 21.221 ( -2.915 0.000 -15.907) 16.172 22.827 ( -2.240 0.000 8.708) 8.991 22.828 ( -2.562 -0.000 9.301) 9.648 23.145 ( -10.608 0.000 -3.841) 11.282 23.174 ( -9.964 0.000 -4.274) 10.842 28.563 ( 0.475 0.000 0.004) 0.475 28.576 ( -0.064 0.000 -0.297) 0.303 28.602 ( -0.484 0.000 -0.795) 0.931 28.613 ( 0.363 0.000 -1.207) 1.260 29.630 ( 3.375 0.000 10.487) 11.016 29.669 ( 5.288 0.000 11.560) 12.712 29.903 ( -5.045 0.000 4.416) 6.705 30.013 ( -3.441 0.000 10.563) 11.110 30.127 ( 0.112 0.000 -0.781) 0.789 30.287 ( 1.185 0.000 7.936) 8.024 30.481 ( 0.103 0.000 -6.300) 6.301 30.601 ( 2.199 -0.000 -2.264) 3.156 30.916 ( -2.949 0.000 -0.539) 2.998 30.962 ( -1.464 0.000 -3.185) 3.505 31.071 ( -0.276 -0.000 -3.135) 3.147 31.097 ( 1.714 0.000 -4.434) 4.754 31.620 ( 2.748 0.000 3.184) 4.206 31.640 ( 4.533 0.000 3.773) 5.898 31.947 ( -3.486 0.000 -11.732) 12.239 32.043 ( -1.058 0.000 -13.566) 13.607 ======================= Grid point 160 (60/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.003 0.000 -5.021) 5.021 2.264 ( -0.003 0.000 -6.023) 6.023 2.381 ( 0.001 0.000 -13.820) 13.820 2.490 ( -0.000 0.000 -13.175) 13.175 2.945 ( 0.000 0.000 6.762) 6.762 2.971 ( -0.000 0.000 8.383) 8.383 3.043 ( 0.000 0.000 8.567) 8.567 3.056 ( -0.000 0.000 12.115) 12.115 3.715 ( 0.000 0.000 3.288) 3.288 3.718 ( 0.000 -0.000 12.188) 12.188 3.741 ( -0.000 0.000 -2.991) 2.991 3.767 ( 0.000 -0.000 15.481) 15.481 4.062 ( 0.000 0.000 -6.006) 6.006 4.153 ( -0.000 0.000 -3.452) 3.452 4.178 ( 0.000 -0.000 3.351) 3.351 4.259 ( 0.000 0.000 -9.662) 9.662 4.466 ( -0.000 0.000 1.529) 1.529 4.467 ( 0.000 0.000 -4.442) 4.442 4.557 ( -0.000 0.000 -7.321) 7.321 4.613 ( 0.000 0.000 -3.502) 3.502 4.767 ( 0.000 0.000 -2.323) 2.323 4.923 ( 0.000 0.000 -2.573) 2.573 4.954 ( -0.000 0.000 1.343) 1.343 5.091 ( 0.000 0.000 -8.458) 8.458 5.161 ( 0.000 0.000 -12.561) 12.561 5.298 ( 0.000 0.000 -9.556) 9.556 5.427 ( 0.000 0.000 4.275) 4.275 5.623 ( 0.000 0.000 -0.812) 0.812 5.721 ( 0.000 0.000 -0.024) 0.024 5.756 ( 0.000 -0.000 -1.670) 1.670 5.884 ( 0.000 0.000 3.627) 3.627 5.946 ( 0.000 -0.000 1.062) 1.062 6.368 ( 0.000 0.000 8.274) 8.274 6.432 ( -0.000 0.000 15.227) 15.227 6.472 ( 0.000 0.000 6.582) 6.582 6.598 ( 0.000 0.000 17.127) 17.127 6.790 ( -0.000 0.000 3.258) 3.258 6.835 ( 0.000 0.000 1.486) 1.486 6.937 ( 0.000 0.000 5.134) 5.134 7.012 ( 0.000 0.000 10.046) 10.046 7.421 ( 0.000 0.000 17.977) 17.977 7.643 ( 0.000 0.000 11.268) 11.268 7.876 ( 0.000 0.000 9.452) 9.452 7.890 ( 0.000 0.000 12.588) 12.588 8.390 ( 0.000 -0.000 -4.555) 4.555 8.397 ( 0.000 0.000 -4.459) 4.459 8.476 ( 0.000 0.000 -13.960) 13.960 8.626 ( 0.000 0.000 -11.574) 11.574 8.984 ( 0.000 0.000 3.110) 3.110 9.144 ( 0.000 0.000 12.076) 12.076 9.169 ( 0.000 0.000 7.074) 7.074 9.221 ( 0.000 0.000 3.730) 3.730 10.168 ( 0.000 0.000 14.727) 14.727 10.198 ( 0.000 0.000 18.403) 18.403 10.222 ( -0.000 0.000 15.907) 15.907 10.394 ( 0.000 0.000 12.813) 12.813 10.808 ( 0.000 0.000 2.709) 2.709 10.909 ( 0.000 0.000 2.296) 2.296 10.965 ( -0.000 0.000 6.646) 6.646 11.164 ( 0.000 0.000 3.668) 3.668 11.496 ( 0.000 0.000 1.488) 1.488 11.506 ( -0.000 0.000 -2.602) 2.602 11.779 ( 0.000 0.000 -5.228) 5.228 12.020 ( 0.000 0.000 -9.523) 9.523 12.440 ( 0.000 0.000 -22.751) 22.751 12.456 ( -0.000 -0.000 -24.923) 24.923 12.466 ( 0.000 0.000 -21.398) 21.398 12.508 ( -0.000 0.000 -26.842) 26.842 12.911 ( 0.000 0.000 -3.869) 3.869 13.016 ( 0.000 0.000 -1.544) 1.544 13.243 ( 0.000 0.000 -8.925) 8.925 13.249 ( 0.000 0.000 -13.560) 13.560 13.864 ( 0.000 0.000 8.902) 8.902 13.867 ( 0.000 0.000 9.161) 9.161 14.437 ( 0.000 0.000 -14.631) 14.631 14.437 ( 0.000 0.000 -14.215) 14.215 17.987 ( -0.000 0.000 13.229) 13.229 18.014 ( -0.000 0.000 13.944) 13.944 18.064 ( 0.000 0.000 10.251) 10.251 18.091 ( 0.000 0.000 10.755) 10.755 20.774 ( 0.000 0.000 6.102) 6.102 20.823 ( 0.000 0.000 6.374) 6.374 21.076 ( -0.000 0.000 -6.419) 6.419 21.123 ( -0.000 0.000 -5.262) 5.262 22.836 ( 0.000 0.000 3.774) 3.774 22.837 ( 0.000 0.000 3.610) 3.610 22.990 ( -0.000 0.000 -2.384) 2.384 23.031 ( -0.000 0.000 -3.746) 3.746 28.573 ( -0.000 0.000 -0.702) 0.702 28.575 ( 0.000 0.000 -0.494) 0.494 28.592 ( 0.000 0.000 -0.269) 0.269 28.617 ( 0.000 0.000 -1.238) 1.238 29.671 ( 0.000 0.000 8.917) 8.917 29.766 ( -0.000 0.000 12.818) 12.818 29.809 ( 0.000 0.000 4.141) 4.141 29.970 ( 0.000 0.000 13.681) 13.681 30.129 ( 0.000 0.000 -1.546) 1.546 30.298 ( 0.000 0.000 8.773) 8.773 30.485 ( 0.000 0.000 -7.939) 7.939 30.623 ( -0.000 0.000 -3.076) 3.076 30.880 ( 0.000 0.000 -1.362) 1.362 30.946 ( 0.000 -0.000 -4.719) 4.719 31.068 ( 0.000 -0.000 -2.552) 2.552 31.120 ( 0.000 0.000 -5.165) 5.165 31.649 ( 0.000 0.000 2.520) 2.520 31.698 ( -0.000 0.000 2.474) 2.474 31.900 ( 0.000 0.000 -9.681) 9.681 32.030 ( 0.000 0.000 -12.024) 12.024 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 0.000 0.000 -9.058) 9.058 2.784 ( 0.000 0.000 9.058) 9.058 2.830 ( 0.000 0.000 -11.245) 11.245 2.830 ( 0.000 0.000 11.245) 11.245 3.272 ( 0.000 0.000 -1.144) 1.144 3.272 ( 0.000 0.000 1.144) 1.144 3.445 ( 0.000 0.000 -3.651) 3.651 3.445 ( 0.000 0.000 3.651) 3.651 3.673 ( 0.000 0.000 -2.934) 2.934 3.673 ( 0.000 0.000 2.934) 2.934 3.916 ( 0.000 0.000 -3.121) 3.121 3.916 ( 0.000 0.000 3.121) 3.121 4.133 ( 0.000 0.000 -22.159) 22.159 4.133 ( 0.000 0.000 22.159) 22.159 4.177 ( 0.000 0.000 -7.326) 7.326 4.177 ( 0.000 0.000 7.326) 7.326 4.497 ( 0.000 0.000 -2.668) 2.668 4.497 ( 0.000 0.000 2.668) 2.668 4.708 ( 0.000 0.000 -6.095) 6.095 4.708 ( 0.000 0.000 6.095) 6.095 4.907 ( 0.000 0.000 -1.362) 1.362 4.907 ( 0.000 0.000 1.362) 1.362 5.030 ( 0.000 0.000 -2.456) 2.456 5.030 ( 0.000 0.000 2.456) 2.456 5.377 ( 0.000 0.000 -1.744) 1.744 5.377 ( 0.000 0.000 1.744) 1.744 5.453 ( 0.000 0.000 -5.667) 5.667 5.453 ( 0.000 0.000 5.667) 5.667 5.766 ( 0.000 0.000 -2.561) 2.561 5.766 ( 0.000 0.000 2.561) 2.561 5.797 ( 0.000 0.000 -1.031) 1.031 5.797 ( 0.000 0.000 1.031) 1.031 6.178 ( 0.000 0.000 -5.571) 5.571 6.178 ( 0.000 0.000 5.571) 5.571 6.260 ( 0.000 0.000 -12.703) 12.703 6.260 ( 0.000 0.000 12.703) 12.703 6.650 ( 0.000 0.000 -0.773) 0.773 6.650 ( 0.000 0.000 0.773) 0.773 7.089 ( 0.000 0.000 -0.607) 0.607 7.089 ( 0.000 0.000 0.607) 0.607 7.221 ( 0.000 0.000 -0.840) 0.840 7.221 ( 0.000 0.000 0.840) 0.840 7.437 ( 0.000 0.000 -5.567) 5.567 7.437 ( 0.000 0.000 5.567) 5.567 8.471 ( 0.000 0.000 -11.046) 11.046 8.471 ( 0.000 0.000 11.046) 11.046 8.690 ( 0.000 0.000 -8.348) 8.348 8.690 ( 0.000 0.000 8.348) 8.348 9.106 ( 0.000 0.000 -2.204) 2.204 9.106 ( 0.000 0.000 2.204) 2.204 9.123 ( 0.000 0.000 -1.727) 1.727 9.123 ( 0.000 0.000 1.727) 1.727 10.591 ( 0.000 0.000 -5.815) 5.815 10.591 ( 0.000 0.000 5.815) 5.815 10.774 ( 0.000 0.000 -17.923) 17.923 10.774 ( 0.000 0.000 17.923) 17.923 11.025 ( 0.000 0.000 -3.402) 3.402 11.025 ( 0.000 0.000 3.402) 3.402 11.137 ( 0.000 0.000 -13.699) 13.699 11.137 ( 0.000 0.000 13.699) 13.699 11.496 ( 0.000 0.000 -18.909) 18.909 11.496 ( 0.000 0.000 18.909) 18.909 11.549 ( 0.000 0.000 -13.998) 13.998 11.549 ( 0.000 0.000 13.998) 13.998 12.479 ( 0.000 0.000 -5.792) 5.792 12.479 ( 0.000 0.000 5.792) 5.792 12.686 ( 0.000 0.000 -4.058) 4.058 12.686 ( 0.000 0.000 4.058) 4.058 13.105 ( 0.000 0.000 -2.571) 2.571 13.105 ( 0.000 0.000 2.571) 2.571 13.182 ( 0.000 0.000 -3.712) 3.712 13.182 ( 0.000 0.000 3.712) 3.712 13.742 ( 0.000 0.000 -13.753) 13.753 13.742 ( 0.000 0.000 13.753) 13.753 13.810 ( 0.000 0.000 -14.510) 14.510 13.810 ( 0.000 0.000 14.510) 14.510 18.169 ( 0.000 0.000 -23.500) 23.500 18.169 ( 0.000 0.000 23.500) 23.500 18.382 ( 0.000 0.000 -19.958) 19.958 18.382 ( 0.000 0.000 19.958) 19.958 20.512 ( 0.000 0.000 -33.108) 33.108 20.512 ( 0.000 0.000 33.108) 33.108 20.561 ( 0.000 0.000 -33.246) 33.246 20.561 ( 0.000 0.000 33.246) 33.246 23.261 ( 0.000 0.000 -10.921) 10.921 23.261 ( 0.000 0.000 10.921) 10.921 23.270 ( 0.000 0.000 -9.603) 9.603 23.270 ( 0.000 0.000 9.603) 9.603 28.582 ( 0.000 0.000 -0.433) 0.433 28.582 ( 0.000 0.000 0.433) 0.433 28.586 ( 0.000 0.000 -0.787) 0.787 28.586 ( 0.000 0.000 0.787) 0.787 29.703 ( 0.000 0.000 -10.436) 10.436 29.703 ( 0.000 0.000 10.436) 10.436 29.978 ( 0.000 0.000 -9.078) 9.078 29.978 ( 0.000 0.000 9.078) 9.078 30.335 ( 0.000 0.000 -11.988) 11.988 30.335 ( 0.000 0.000 11.988) 11.988 30.430 ( 0.000 0.000 -2.165) 2.165 30.430 ( 0.000 0.000 2.165) 2.165 30.904 ( 0.000 0.000 -1.005) 1.005 30.904 ( 0.000 0.000 1.005) 1.005 31.214 ( 0.000 0.000 -1.371) 1.371 31.214 ( 0.000 0.000 1.371) 1.371 31.679 ( 0.000 0.000 -3.232) 3.232 31.679 ( 0.000 0.000 3.232) 3.232 31.732 ( 0.000 0.000 -14.003) 14.003 31.732 ( 0.000 0.000 14.003) 14.003 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -12.549 0.000 -9.248) 15.588 2.698 ( -12.549 0.000 9.248) 15.588 2.812 ( -3.043 0.000 -10.125) 10.573 2.812 ( -3.043 0.000 10.126) 10.573 3.096 ( -8.075 0.000 -6.118) 10.131 3.096 ( -8.075 0.000 6.118) 10.131 3.268 ( -14.044 0.000 -10.323) 17.430 3.268 ( -14.044 0.000 10.323) 17.430 3.780 ( 7.222 0.000 -8.574) 11.210 3.780 ( 7.222 0.000 8.574) 11.210 3.885 ( -0.707 0.000 -7.404) 7.438 3.885 ( -0.707 0.000 7.404) 7.438 4.133 ( -4.123 0.000 -8.245) 9.219 4.133 ( -4.123 0.000 8.245) 9.219 4.234 ( 2.574 0.000 -12.918) 13.172 4.234 ( 2.574 0.000 12.918) 13.172 4.543 ( 4.680 0.000 -7.105) 8.507 4.543 ( 4.680 0.000 7.105) 8.507 4.567 ( -8.150 0.000 -5.931) 10.080 4.567 ( -8.150 0.000 5.931) 10.080 4.830 ( -5.534 0.000 -7.811) 9.573 4.830 ( -5.534 0.000 7.811) 9.573 4.983 ( -3.974 0.000 -3.570) 5.343 4.983 ( -3.974 0.000 3.570) 5.343 5.366 ( -7.219 0.000 -8.304) 11.003 5.366 ( -7.219 0.000 8.304) 11.003 5.422 ( -1.032 0.000 -2.789) 2.974 5.422 ( -1.032 0.000 2.789) 2.974 5.631 ( -1.675 0.000 -9.449) 9.596 5.631 ( -1.675 0.000 9.449) 9.596 5.845 ( 6.470 0.000 -1.859) 6.732 5.845 ( 6.470 0.000 1.859) 6.732 6.278 ( 5.860 0.000 -3.181) 6.668 6.278 ( 5.860 0.000 3.181) 6.668 6.615 ( 21.369 0.000 -19.105) 28.665 6.615 ( 21.369 0.000 19.105) 28.665 6.681 ( 2.588 0.000 -6.831) 7.305 6.681 ( 2.588 0.000 6.831) 7.305 7.199 ( -1.300 0.000 -7.238) 7.354 7.199 ( -1.300 0.000 7.238) 7.354 7.256 ( 15.820 0.000 -13.644) 20.891 7.256 ( 15.820 0.000 13.644) 20.891 7.412 ( -0.894 0.000 -6.055) 6.121 7.412 ( -0.894 0.000 6.055) 6.121 8.410 ( -4.642 0.000 -11.726) 12.611 8.410 ( -4.642 0.000 11.726) 12.611 8.647 ( -4.126 0.000 -8.762) 9.684 8.647 ( -4.126 0.000 8.762) 9.684 9.130 ( 0.782 0.000 -1.447) 1.645 9.130 ( 0.782 0.000 1.447) 1.645 9.181 ( 5.605 0.000 -1.917) 5.923 9.181 ( 5.605 0.000 1.917) 5.923 10.573 ( -1.926 0.000 -7.071) 7.329 10.573 ( -1.926 0.000 7.071) 7.329 10.707 ( -6.330 0.000 -18.149) 19.221 10.707 ( -6.330 0.000 18.149) 19.221 11.021 ( -0.197 0.000 -7.978) 7.980 11.021 ( -0.197 0.000 7.978) 7.980 11.065 ( -5.430 0.000 -16.607) 17.472 11.065 ( -5.430 0.000 16.607) 17.472 11.543 ( 4.017 0.000 -17.747) 18.196 11.543 ( 4.017 0.000 17.747) 18.196 11.604 ( 4.012 0.000 -12.055) 12.705 11.604 ( 4.012 0.000 12.055) 12.705 12.352 ( -10.048 0.000 -9.767) 14.012 12.352 ( -10.048 0.000 9.767) 14.012 12.525 ( -12.918 0.000 -8.984) 15.735 12.525 ( -12.918 0.000 8.984) 15.735 13.096 ( -1.100 0.000 -3.865) 4.019 13.096 ( -1.100 0.000 3.865) 4.019 13.157 ( -2.320 0.000 -4.431) 5.001 13.157 ( -2.320 0.000 4.431) 5.001 13.859 ( 9.317 0.000 -14.325) 17.088 13.859 ( 9.317 0.000 14.325) 17.088 13.912 ( 8.288 0.000 -14.896) 17.047 13.912 ( 8.288 0.000 14.896) 17.047 18.157 ( -0.936 0.000 -20.059) 20.081 18.157 ( -0.936 0.000 20.059) 20.081 18.333 ( -4.257 0.000 -16.001) 16.557 18.333 ( -4.257 0.000 16.001) 16.557 20.623 ( 9.917 0.000 -29.175) 30.815 20.623 ( 9.917 0.000 29.175) 30.815 20.652 ( 8.281 0.000 -29.542) 30.680 20.652 ( 8.281 0.000 29.542) 30.680 23.186 ( -6.833 0.000 -10.528) 12.551 23.186 ( -6.833 0.000 10.528) 12.551 23.189 ( -7.353 0.000 -10.134) 12.521 23.189 ( -7.353 0.000 10.134) 12.521 28.582 ( -0.270 0.000 -0.750) 0.798 28.582 ( -0.270 0.000 0.750) 0.798 28.584 ( 0.118 0.000 -0.743) 0.752 28.584 ( 0.118 0.000 0.743) 0.752 29.729 ( 2.384 0.000 -10.090) 10.368 29.729 ( 2.384 0.000 10.090) 10.368 29.966 ( -1.161 0.000 -7.318) 7.410 29.966 ( -1.161 0.000 7.318) 7.410 30.353 ( 1.617 0.000 -10.999) 11.117 30.353 ( 1.617 0.000 10.999) 11.117 30.426 ( -0.289 0.000 -3.481) 3.493 30.426 ( -0.289 0.000 3.481) 3.493 30.913 ( 0.742 0.000 -3.097) 3.185 30.913 ( 0.742 0.000 3.097) 3.185 31.147 ( -5.600 0.000 -4.635) 7.269 31.147 ( -5.600 0.000 4.635) 7.269 31.696 ( 1.596 0.000 -3.479) 3.828 31.696 ( 1.596 0.000 3.479) 3.828 31.764 ( 2.307 0.000 -12.935) 13.139 31.764 ( 2.307 0.000 12.935) 13.139 ======================= Grid point 179 (63/72) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -16.580 0.000 -17.032) 23.769 2.327 ( -16.580 0.000 17.032) 23.769 2.570 ( -20.748 0.000 -10.746) 23.365 2.570 ( -20.748 0.000 10.746) 23.365 3.065 ( 1.351 0.000 -7.103) 7.230 3.065 ( 1.351 0.000 7.103) 7.230 3.066 ( -2.458 0.000 -6.762) 7.195 3.066 ( -2.458 0.000 6.762) 7.195 3.894 ( 1.261 0.000 -7.991) 8.090 3.894 ( 1.261 0.000 7.991) 8.090 3.904 ( 3.763 0.000 -6.125) 7.189 3.904 ( 3.763 0.000 6.125) 7.189 4.073 ( 0.226 0.000 -6.326) 6.331 4.073 ( 0.226 0.000 6.326) 6.331 4.207 ( -3.046 0.000 -10.204) 10.649 4.207 ( -3.046 0.000 10.204) 10.649 4.467 ( -2.989 0.000 -5.544) 6.299 4.467 ( -2.989 0.000 5.544) 6.299 4.530 ( -6.397 0.000 -10.166) 12.012 4.530 ( -6.397 0.000 10.166) 12.012 4.826 ( 4.670 0.000 -7.491) 8.828 4.826 ( 4.670 0.000 7.491) 8.828 4.911 ( -2.056 0.000 -6.585) 6.898 4.911 ( -2.056 0.000 6.585) 6.898 5.244 ( -3.657 0.000 -3.330) 4.946 5.244 ( -3.657 0.000 3.330) 4.946 5.316 ( -5.909 0.000 -4.760) 7.588 5.316 ( -5.909 0.000 4.760) 7.588 5.742 ( 8.445 0.000 -3.464) 9.128 5.742 ( 8.445 0.000 3.464) 9.128 5.982 ( 3.086 0.000 -3.103) 4.376 5.982 ( 3.086 0.000 3.103) 4.376 6.376 ( 6.427 0.000 -10.045) 11.925 6.376 ( 6.427 0.000 10.045) 11.925 6.774 ( 6.663 0.000 -1.294) 6.788 6.774 ( 6.663 0.000 1.294) 6.788 6.794 ( -3.958 0.000 -8.802) 9.651 6.794 ( -3.958 0.000 8.802) 9.651 7.115 ( -8.226 0.000 -2.496) 8.596 7.115 ( -8.226 0.000 2.496) 8.596 7.604 ( 18.996 0.000 -20.487) 27.939 7.604 ( 18.996 0.000 20.488) 27.939 7.638 ( 18.332 0.000 -22.042) 28.669 7.638 ( 18.332 0.000 22.042) 28.669 8.325 ( -3.160 0.000 -12.410) 12.806 8.325 ( -3.160 0.000 12.410) 12.806 8.522 ( -8.173 0.000 -11.598) 14.188 8.522 ( -8.173 0.000 11.598) 14.188 9.158 ( 2.165 0.000 -2.701) 3.462 9.158 ( 2.165 0.000 2.701) 3.462 9.261 ( 1.078 0.000 -2.197) 2.447 9.261 ( 1.078 0.000 2.197) 2.447 10.504 ( -4.425 0.000 -8.815) 9.864 10.504 ( -4.425 0.000 8.815) 9.864 10.548 ( -7.770 0.000 -14.239) 16.221 10.548 ( -7.769 0.000 14.239) 16.221 10.986 ( -1.300 0.000 -11.354) 11.428 10.986 ( -1.300 0.000 11.354) 11.428 11.018 ( -0.291 0.000 -8.078) 8.083 11.018 ( -0.291 0.000 8.078) 8.083 11.628 ( 3.491 0.000 -17.592) 17.935 11.628 ( 3.491 0.000 17.592) 17.935 11.664 ( 1.386 0.000 -14.267) 14.334 11.664 ( 1.386 0.000 14.267) 14.334 12.174 ( -5.730 0.000 -8.829) 10.525 12.174 ( -5.730 0.000 8.829) 10.525 12.266 ( -10.530 0.000 -11.051) 15.264 12.266 ( -10.530 0.000 11.051) 15.264 13.067 ( -1.279 0.000 -5.955) 6.091 13.067 ( -1.279 0.000 5.955) 6.091 13.100 ( -2.849 0.000 -6.746) 7.322 13.100 ( -2.849 0.000 6.746) 7.322 14.042 ( 7.281 0.000 -14.622) 16.334 14.042 ( 7.281 0.000 14.622) 16.334 14.072 ( 5.980 0.000 -14.829) 15.989 14.072 ( 5.980 0.000 14.829) 15.989 18.144 ( -0.066 0.000 -12.046) 12.046 18.144 ( -0.066 0.000 12.046) 12.046 18.237 ( -4.526 0.000 -7.592) 8.839 18.237 ( -4.526 0.000 7.592) 8.839 20.849 ( 10.158 0.000 -18.998) 21.543 20.849 ( 10.158 0.000 18.998) 21.543 20.850 ( 9.411 0.000 -19.248) 21.425 20.850 ( 9.411 0.000 19.248) 21.425 23.015 ( -8.142 0.000 -9.277) 12.343 23.015 ( -8.142 0.000 9.277) 12.343 23.020 ( -8.008 0.000 -7.975) 11.302 23.020 ( -8.008 0.000 7.975) 11.302 28.579 ( -0.037 0.000 -0.521) 0.522 28.579 ( -0.037 0.000 0.521) 0.522 28.585 ( -0.073 0.000 -0.884) 0.887 28.585 ( -0.073 0.000 0.884) 0.887 29.793 ( 3.661 0.000 -9.090) 9.799 29.793 ( 3.661 0.000 9.090) 9.799 29.930 ( -2.427 0.000 -5.945) 6.421 29.930 ( -2.427 0.000 5.945) 6.421 30.390 ( 1.704 0.000 -9.656) 9.806 30.390 ( 1.704 0.000 9.656) 9.806 30.421 ( -0.219 0.000 -5.770) 5.774 30.421 ( -0.219 0.000 5.770) 5.774 30.930 ( 0.872 0.000 -4.175) 4.265 30.930 ( 0.872 0.000 4.175) 4.265 31.030 ( -5.040 0.000 -5.464) 7.434 31.030 ( -5.040 0.000 5.464) 7.434 31.739 ( 2.400 0.000 -5.101) 5.637 31.739 ( 2.400 0.000 5.101) 5.637 31.797 ( 0.533 0.000 -10.737) 10.750 31.797 ( 0.533 0.000 10.737) 10.750 ======================= Grid point 181 (64/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -7.601 0.000 -2.993) 8.169 2.220 ( 7.601 0.000 -2.992) 8.169 2.220 ( -7.601 0.000 2.993) 8.169 2.220 ( 7.601 0.000 2.993) 8.169 3.072 ( -0.308 0.000 -5.464) 5.472 3.072 ( 0.308 0.000 -5.464) 5.472 3.072 ( -0.308 0.000 5.464) 5.472 3.072 ( 0.308 0.000 5.464) 5.472 3.921 ( -0.168 0.000 -6.004) 6.007 3.921 ( 0.168 0.000 -6.004) 6.007 3.921 ( -0.168 0.000 6.004) 6.007 3.921 ( 0.168 0.000 6.004) 6.007 4.138 ( -2.404 0.000 -16.854) 17.024 4.138 ( 2.404 0.000 -16.854) 17.024 4.138 ( -2.404 0.000 16.854) 17.024 4.138 ( 2.404 0.000 16.854) 17.024 4.433 ( -0.184 0.000 -7.123) 7.125 4.433 ( 0.184 0.000 -7.123) 7.125 4.433 ( -0.184 0.000 7.123) 7.125 4.433 ( 0.184 0.000 7.123) 7.125 4.893 ( -0.314 0.000 -7.882) 7.888 4.893 ( 0.314 0.000 -7.882) 7.888 4.893 ( -0.314 0.000 7.882) 7.888 4.893 ( 0.314 0.000 7.882) 7.888 5.228 ( -0.313 0.000 -2.767) 2.785 5.228 ( -0.313 0.000 2.767) 2.785 5.228 ( 0.313 0.000 -2.767) 2.785 5.228 ( 0.313 0.000 2.767) 2.785 5.915 ( -4.269 0.000 -2.788) 5.099 5.915 ( -4.269 0.000 2.788) 5.099 5.915 ( 4.269 0.000 -2.788) 5.099 5.915 ( 4.269 0.000 2.788) 5.099 6.596 ( -11.435 0.000 -8.625) 14.323 6.596 ( 11.435 0.000 -8.625) 14.323 6.596 ( -11.435 0.000 8.625) 14.323 6.596 ( 11.435 0.000 8.625) 14.323 6.933 ( -5.102 0.000 -4.465) 6.780 6.933 ( -5.102 0.000 4.465) 6.780 6.933 ( 5.102 0.000 -4.465) 6.780 6.933 ( 5.102 0.000 4.465) 6.780 7.866 ( -0.010 0.000 -20.893) 20.893 7.866 ( 0.010 0.000 -20.893) 20.893 7.866 ( -0.010 0.000 20.893) 20.893 7.866 ( 0.010 0.000 20.893) 20.893 8.339 ( -6.567 0.000 -10.626) 12.491 8.339 ( 6.567 0.000 -10.626) 12.491 8.339 ( -6.567 0.000 10.626) 12.491 8.339 ( 6.567 0.000 10.626) 12.491 9.223 ( -2.167 0.000 -3.272) 3.924 9.223 ( 2.167 0.000 -3.272) 3.924 9.223 ( -2.167 0.000 3.272) 3.924 9.223 ( 2.167 0.000 3.272) 3.924 10.451 ( -0.161 0.000 -5.451) 5.453 10.451 ( 0.161 0.000 -5.451) 5.453 10.451 ( -0.161 0.000 5.451) 5.453 10.451 ( 0.161 0.000 5.451) 5.453 10.999 ( -0.232 0.000 -4.161) 4.167 10.999 ( 0.232 0.000 -4.161) 4.167 10.999 ( -0.232 0.000 4.161) 4.167 10.999 ( 0.232 0.000 4.161) 4.167 11.668 ( -0.147 0.000 -18.499) 18.499 11.668 ( 0.147 0.000 -18.499) 18.499 11.668 ( -0.147 0.000 18.499) 18.499 11.668 ( 0.147 0.000 18.499) 18.499 12.137 ( -2.030 0.000 -8.118) 8.368 12.137 ( 2.030 0.000 -8.118) 8.368 12.137 ( -2.030 0.000 8.118) 8.368 12.137 ( 2.030 0.000 8.118) 8.368 13.059 ( -0.212 0.000 -7.232) 7.235 13.059 ( 0.212 0.000 -7.232) 7.235 13.059 ( -0.212 0.000 7.232) 7.235 13.059 ( 0.212 0.000 7.232) 7.235 14.127 ( -0.760 0.000 -14.643) 14.663 14.127 ( 0.760 0.000 -14.643) 14.663 14.127 ( -0.760 0.000 14.643) 14.663 14.127 ( 0.760 0.000 14.643) 14.663 18.165 ( -2.016 0.000 -3.221) 3.800 18.165 ( 2.016 0.000 -3.221) 3.800 18.165 ( -2.016 0.000 3.221) 3.800 18.165 ( 2.016 0.000 3.221) 3.800 20.963 ( -0.015 0.000 -8.098) 8.098 20.963 ( 0.015 0.000 -8.098) 8.098 20.963 ( -0.015 0.000 8.098) 8.098 20.963 ( 0.015 0.000 8.098) 8.098 22.923 ( -0.101 0.000 -4.792) 4.793 22.923 ( 0.101 0.000 -4.792) 4.793 22.923 ( -0.101 0.000 4.792) 4.793 22.923 ( 0.101 0.000 4.792) 4.793 28.581 ( -0.046 0.000 -0.612) 0.614 28.581 ( 0.046 0.000 -0.612) 0.614 28.581 ( -0.046 0.000 0.612) 0.614 28.581 ( 0.046 0.000 0.612) 0.614 29.868 ( -1.751 0.000 -7.462) 7.664 29.868 ( 1.751 0.000 -7.462) 7.664 29.868 ( -1.751 0.000 7.462) 7.664 29.868 ( 1.751 0.000 7.462) 7.664 30.414 ( -0.056 0.000 -8.058) 8.058 30.414 ( 0.056 0.000 -8.058) 8.058 30.414 ( -0.056 0.000 8.058) 8.058 30.414 ( 0.056 0.000 8.058) 8.058 30.957 ( -0.690 0.000 -4.428) 4.481 30.957 ( 0.690 0.000 -4.428) 4.481 30.957 ( -0.690 0.000 4.428) 4.481 30.957 ( 0.690 0.000 4.428) 4.481 31.783 ( -0.860 0.000 -7.926) 7.973 31.783 ( 0.860 0.000 -7.926) 7.973 31.783 ( -0.860 0.000 7.926) 7.973 31.783 ( 0.860 0.000 7.926) 7.973 ======================= Grid point 189 (65/72) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 0.000 -1.814 -0.655) 1.929 2.740 ( 0.000 -1.814 0.655) 1.929 2.911 ( 0.000 4.878 -3.496) 6.001 2.911 ( 0.000 4.878 3.496) 6.001 3.215 ( 0.000 -3.464 -1.680) 3.850 3.215 ( 0.000 -3.464 1.680) 3.850 3.441 ( 0.000 -2.339 -0.588) 2.412 3.441 ( 0.000 -2.339 0.588) 2.412 3.700 ( 0.000 3.879 -4.449) 5.902 3.700 ( 0.000 3.879 4.449) 5.902 3.919 ( 0.000 -0.593 -1.913) 2.003 3.919 ( 0.000 -0.593 1.913) 2.003 4.106 ( 0.000 -1.154 -14.791) 14.836 4.106 ( 0.000 -1.154 14.791) 14.836 4.227 ( 0.000 3.015 -8.641) 9.152 4.227 ( 0.000 3.015 8.641) 9.152 4.488 ( 0.000 -0.377 -2.294) 2.325 4.488 ( 0.000 -0.377 2.294) 2.325 4.677 ( 0.000 -3.033 -4.042) 5.053 4.677 ( 0.000 -3.033 4.042) 5.053 4.809 ( 0.000 -5.239 -1.583) 5.472 4.809 ( 0.000 -5.239 1.583) 5.472 5.087 ( 0.000 1.814 -0.233) 1.829 5.087 ( 0.000 1.814 0.233) 1.829 5.324 ( 0.000 0.174 -6.667) 6.669 5.324 ( 0.000 0.174 6.667) 6.669 5.512 ( 0.000 -0.490 -3.400) 3.435 5.512 ( 0.000 -0.490 3.400) 3.435 5.782 ( 0.000 5.396 -1.449) 5.587 5.782 ( 0.000 5.396 1.449) 5.587 5.885 ( 0.000 4.142 -3.554) 5.458 5.885 ( 0.000 4.142 3.554) 5.458 6.136 ( 0.000 -2.907 -2.707) 3.972 6.136 ( 0.000 -2.907 2.707) 3.972 6.250 ( 0.000 -0.649 -5.387) 5.426 6.250 ( 0.000 -0.649 5.387) 5.426 6.620 ( 0.000 -3.203 -1.199) 3.420 6.620 ( 0.000 -3.203 1.199) 3.420 7.098 ( 0.000 1.360 -0.105) 1.364 7.098 ( 0.000 1.360 0.105) 1.364 7.226 ( 0.000 0.376 -0.628) 0.732 7.226 ( 0.000 0.376 0.628) 0.732 7.419 ( 0.000 -1.724 -4.453) 4.776 7.419 ( 0.000 -1.724 4.453) 4.776 8.434 ( 0.000 -2.336 -5.771) 6.226 8.434 ( 0.000 -2.336 5.771) 6.226 8.733 ( 0.000 2.823 -4.057) 4.943 8.733 ( 0.000 2.823 4.057) 4.943 9.081 ( 0.000 -0.598 -0.824) 1.019 9.081 ( 0.000 -0.598 0.824) 1.019 9.173 ( 0.000 2.566 -1.838) 3.157 9.173 ( 0.000 2.566 1.838) 3.157 10.609 ( 0.000 1.747 -5.459) 5.732 10.609 ( 0.000 1.747 5.459) 5.732 10.745 ( 0.000 -2.530 -12.908) 13.154 10.745 ( 0.000 -2.530 12.908) 13.154 11.008 ( 0.000 -0.858 -4.872) 4.947 11.008 ( 0.000 -0.858 4.872) 4.947 11.180 ( 0.000 2.919 -4.558) 5.412 11.180 ( 0.000 2.919 4.558) 5.412 11.472 ( 0.000 -1.700 -5.294) 5.560 11.472 ( 0.000 -1.700 5.294) 5.560 11.540 ( 0.000 -0.952 -3.372) 3.503 11.540 ( 0.000 -0.952 3.372) 3.503 12.508 ( 0.000 2.502 -5.004) 5.595 12.508 ( 0.000 2.502 5.004) 5.595 12.671 ( 0.000 -1.374 -3.667) 3.916 12.671 ( 0.000 -1.374 3.667) 3.916 13.039 ( 0.000 -3.597 -0.588) 3.644 13.039 ( 0.000 -3.597 0.588) 3.644 13.239 ( 0.000 2.985 -1.283) 3.249 13.239 ( 0.000 2.985 1.283) 3.249 13.747 ( 0.000 0.361 -11.268) 11.274 13.747 ( 0.000 0.361 11.268) 11.274 13.805 ( 0.000 -0.398 -11.825) 11.831 13.805 ( 0.000 -0.398 11.825) 11.831 18.175 ( 0.000 0.529 -18.578) 18.586 18.175 ( 0.000 0.529 18.578) 18.586 18.365 ( 0.000 -1.304 -16.097) 16.149 18.365 ( 0.000 -1.304 16.097) 16.149 20.517 ( 0.000 0.512 -31.220) 31.224 20.517 ( 0.000 0.512 31.220) 31.224 20.555 ( 0.000 -0.562 -31.311) 31.316 20.555 ( 0.000 -0.562 31.311) 31.316 23.235 ( 0.000 -1.126 -1.441) 1.829 23.235 ( 0.000 -1.126 1.441) 1.829 23.296 ( 0.000 1.106 -0.505) 1.215 23.296 ( 0.000 1.106 0.505) 1.215 28.576 ( 0.000 -0.297 -0.035) 0.299 28.576 ( 0.000 -0.297 0.035) 0.299 28.592 ( 0.000 0.267 -0.215) 0.343 28.592 ( 0.000 0.267 0.215) 0.343 29.701 ( 0.000 -0.175 -7.228) 7.230 29.701 ( 0.000 -0.175 7.228) 7.230 29.983 ( 0.000 0.351 -6.331) 6.341 29.983 ( 0.000 0.351 6.331) 6.341 30.338 ( 0.000 0.290 -9.125) 9.130 30.338 ( 0.000 0.290 9.125) 9.130 30.438 ( 0.000 0.559 -0.396) 0.685 30.438 ( 0.000 0.559 0.396) 0.685 30.929 ( 0.000 2.307 -0.735) 2.421 30.929 ( 0.000 2.307 0.735) 2.421 31.169 ( 0.000 -3.847 -0.086) 3.848 31.169 ( 0.000 -3.847 0.086) 3.848 31.625 ( 0.000 -2.409 -2.902) 3.772 31.625 ( 0.000 -2.409 2.902) 3.772 31.796 ( 0.000 3.186 -4.679) 5.660 31.796 ( 0.000 3.186 4.679) 5.660 ======================= Grid point 191 (66/72) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -8.761 -0.804 -5.438) 10.343 2.684 ( -8.761 -0.804 5.438) 10.343 2.816 ( -10.632 -0.281 -5.288) 11.878 2.816 ( -10.632 -0.281 5.288) 11.878 3.105 ( -4.776 2.268 -4.640) 7.034 3.105 ( -4.776 2.268 4.640) 7.034 3.366 ( -10.331 6.665 -9.159) 15.331 3.366 ( -10.331 6.665 9.159) 15.331 3.662 ( 2.089 -6.652 -3.353) 7.737 3.662 ( 2.089 -6.652 3.353) 7.737 3.868 ( -3.141 -4.809 -9.701) 11.274 3.868 ( -3.141 -4.809 9.701) 11.274 4.087 ( -2.196 -1.576 -4.962) 5.651 4.087 ( -2.196 -1.576 4.962) 5.651 4.283 ( 2.481 2.294 -9.399) 9.988 4.283 ( 2.481 2.294 9.399) 9.988 4.494 ( -1.494 -1.060 -4.700) 5.044 4.494 ( -1.494 -1.060 4.700) 5.044 4.624 ( -2.211 2.139 -6.091) 6.824 4.624 ( -2.211 2.139 6.091) 6.824 4.836 ( 0.855 -0.106 -4.973) 5.047 4.836 ( 0.855 -0.106 4.973) 5.047 4.970 ( -6.937 -1.651 -6.379) 9.568 4.970 ( -6.937 -1.651 6.379) 9.568 5.293 ( -4.295 -0.231 -8.014) 9.096 5.293 ( -4.295 -0.231 8.014) 9.096 5.461 ( -3.091 -1.061 -2.809) 4.309 5.461 ( -3.091 -1.061 2.809) 4.309 5.763 ( -0.886 10.499 -6.835) 12.559 5.763 ( -0.886 10.499 6.835) 12.559 5.878 ( 5.981 2.731 -1.504) 6.745 5.878 ( 5.981 2.731 1.504) 6.745 6.203 ( 4.131 -5.611 -2.661) 7.458 6.203 ( 4.131 -5.611 2.661) 7.458 6.495 ( 7.938 -7.748 -5.053) 12.189 6.495 ( 7.938 -7.748 5.053) 12.189 6.734 ( 14.679 0.864 -4.502) 15.378 6.734 ( 14.679 0.864 4.502) 15.378 7.181 ( 3.684 1.449 -6.628) 7.720 7.181 ( 3.684 1.449 6.628) 7.720 7.303 ( 8.747 2.038 -9.490) 13.066 7.303 ( 8.747 2.038 9.490) 13.066 7.422 ( 4.083 0.101 -6.089) 7.332 7.422 ( 4.083 0.101 6.089) 7.332 8.377 ( -4.385 -2.091 -6.610) 8.203 8.377 ( -4.385 -2.091 6.610) 8.203 8.680 ( -5.217 2.033 -4.978) 7.492 8.680 ( -5.217 2.033 4.978) 7.492 9.079 ( 0.570 -2.033 -1.116) 2.388 9.079 ( 0.570 -2.033 1.116) 2.388 9.243 ( 4.876 3.001 -1.350) 5.882 9.243 ( 4.876 3.001 1.350) 5.882 10.577 ( -3.610 0.411 -5.939) 6.962 10.577 ( -3.610 0.411 5.939) 6.962 10.703 ( -4.100 -0.457 -15.903) 16.430 10.703 ( -4.100 -0.457 15.903) 16.430 10.941 ( -4.730 -3.397 -6.289) 8.571 10.941 ( -4.730 -3.397 6.289) 8.571 11.163 ( -1.600 4.927 -3.812) 6.431 11.163 ( -1.600 4.927 3.812) 6.431 11.508 ( 3.886 -2.379 -16.097) 16.730 11.508 ( 3.886 -2.379 16.097) 16.730 11.609 ( 4.849 -0.004 -14.642) 15.424 11.609 ( 4.849 -0.004 14.642) 15.424 12.370 ( -10.953 1.522 -8.114) 13.716 12.370 ( -10.953 1.522 8.114) 13.716 12.518 ( -12.278 -0.734 -7.871) 14.603 12.518 ( -12.278 -0.734 7.871) 14.603 13.045 ( -0.170 -2.810 -2.452) 3.733 13.045 ( -0.170 -2.810 2.452) 3.733 13.198 ( -3.469 2.064 -1.448) 4.289 13.198 ( -3.469 2.064 1.448) 4.289 13.865 ( 9.372 0.441 -12.612) 15.719 13.865 ( 9.372 0.441 12.612) 15.719 13.909 ( 8.375 -0.274 -12.916) 15.396 13.909 ( 8.375 -0.274 12.916) 15.397 18.164 ( -0.943 0.554 -15.983) 16.020 18.164 ( -0.943 0.554 15.983) 16.020 18.319 ( -3.991 -1.091 -13.127) 13.764 18.319 ( -3.991 -1.091 13.127) 13.764 20.621 ( 9.094 -0.165 -20.136) 22.095 20.621 ( 9.094 -0.165 20.136) 22.095 20.651 ( 8.889 -0.084 -20.368) 22.223 20.651 ( 8.889 -0.084 20.368) 22.223 23.161 ( -6.740 -1.000 -1.663) 7.014 23.161 ( -6.740 -1.000 1.663) 7.014 23.215 ( -7.406 1.014 -1.800) 7.689 23.215 ( -7.406 1.014 1.800) 7.689 28.574 ( -0.149 -0.336 -0.457) 0.586 28.574 ( -0.149 -0.336 0.457) 0.586 28.592 ( 0.004 0.311 -0.161) 0.351 28.592 ( 0.004 0.311 0.161) 0.351 29.726 ( 2.268 -0.233 -6.904) 7.270 29.726 ( 2.268 -0.233 6.904) 7.270 29.980 ( -0.391 1.002 -5.358) 5.465 29.980 ( -0.391 1.002 5.358) 5.465 30.334 ( -0.313 -1.124 -8.301) 8.383 30.334 ( -0.313 -1.124 8.301) 8.383 30.445 ( 0.678 1.119 -2.608) 2.918 30.445 ( 0.678 1.119 2.608) 2.918 30.935 ( 0.301 2.021 -2.073) 2.911 30.935 ( 0.301 2.021 2.073) 2.911 31.113 ( -4.501 -2.985 -2.332) 5.883 31.113 ( -4.501 -2.985 2.332) 5.883 31.661 ( 2.910 -1.816 -2.006) 3.974 31.661 ( 2.910 -1.816 2.006) 3.974 31.805 ( 0.630 2.266 -6.129) 6.565 31.805 ( 0.630 2.266 6.129) 6.565 ======================= Grid point 193 (67/72) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -16.753 1.515 -15.401) 22.807 2.344 ( -16.753 1.515 15.402) 22.807 2.536 ( -18.318 -2.851 -9.809) 20.973 2.536 ( -18.318 -2.851 9.809) 20.973 3.057 ( -0.867 2.563 -7.430) 7.907 3.057 ( -0.867 2.563 7.430) 7.907 3.173 ( -5.305 5.551 -6.040) 9.769 3.173 ( -5.305 5.551 6.040) 9.769 3.749 ( 5.045 -6.953 -4.309) 9.611 3.749 ( 5.045 -6.953 4.309) 9.611 3.874 ( 3.376 -7.565 -6.691) 10.648 3.874 ( 3.376 -7.565 6.691) 10.648 4.061 ( -0.000 1.384 -1.706) 2.197 4.061 ( -0.001 1.384 1.706) 2.197 4.260 ( -4.800 1.625 -7.193) 8.799 4.260 ( -4.800 1.625 7.193) 8.799 4.424 ( -2.261 0.300 -1.792) 2.901 4.424 ( -2.261 0.300 1.792) 2.901 4.594 ( -4.224 1.626 -8.459) 9.594 4.594 ( -4.224 1.626 8.459) 9.594 4.786 ( 0.342 -1.388 -5.290) 5.480 4.786 ( 0.342 -1.388 5.290) 5.480 4.975 ( 2.005 2.874 -4.849) 5.983 4.975 ( 2.005 2.874 4.849) 5.983 5.160 ( -5.736 -2.396 -3.402) 7.087 5.160 ( -5.736 -2.396 3.402) 7.087 5.425 ( -1.135 4.830 -2.659) 5.629 5.425 ( -1.135 4.830 2.659) 5.629 5.766 ( 1.150 2.965 -3.725) 4.898 5.766 ( 1.150 2.965 3.725) 4.898 6.009 ( 0.901 1.077 -2.407) 2.787 6.009 ( 0.901 1.077 2.407) 2.787 6.308 ( 10.150 -4.446 -6.826) 13.014 6.308 ( 10.150 -4.446 6.826) 13.014 6.616 ( 6.097 -7.744 -2.485) 10.164 6.616 ( 6.097 -7.744 2.485) 10.164 6.903 ( -1.306 3.487 -7.914) 8.746 6.903 ( -1.306 3.487 7.914) 8.746 7.136 ( -6.547 1.655 -2.174) 7.094 7.136 ( -6.547 1.655 2.174) 7.094 7.586 ( 19.408 -0.079 -10.576) 22.103 7.586 ( 19.408 -0.079 10.576) 22.103 7.706 ( 16.803 3.777 -9.705) 19.768 7.706 ( 16.803 3.777 9.705) 19.768 8.300 ( -2.465 -1.590 -7.891) 8.419 8.300 ( -2.465 -1.590 7.891) 8.419 8.529 ( -9.181 0.203 -8.574) 12.564 8.529 ( -9.181 0.203 8.574) 12.564 9.114 ( 2.821 -2.346 -3.253) 4.904 9.114 ( 2.821 -2.346 3.253) 4.904 9.303 ( -0.113 2.194 -1.281) 2.543 9.303 ( -0.113 2.194 1.281) 2.543 10.467 ( -5.789 -2.097 -7.559) 9.749 10.467 ( -5.789 -2.097 7.559) 9.749 10.576 ( -7.614 1.330 -13.176) 15.276 10.576 ( -7.614 1.330 13.176) 15.276 10.895 ( 0.725 -3.615 -4.706) 5.978 10.895 ( 0.725 -3.615 4.706) 5.978 11.126 ( -1.865 4.934 -2.565) 5.866 11.126 ( -1.865 4.934 2.565) 5.866 11.599 ( 4.005 -1.505 -13.097) 13.778 11.599 ( 4.005 -1.505 13.097) 13.778 11.687 ( 2.126 0.895 -16.182) 16.346 11.687 ( 2.126 0.895 16.182) 16.346 12.174 ( -6.312 0.228 -6.154) 8.819 12.174 ( -6.312 0.228 6.154) 8.819 12.272 ( -10.133 0.240 -8.293) 13.096 12.272 ( -10.133 0.240 8.293) 13.096 13.031 ( -0.832 -2.073 -5.130) 5.595 13.031 ( -0.832 -2.073 5.130) 5.595 13.121 ( -3.521 0.939 -3.315) 4.926 13.121 ( -3.521 0.939 3.315) 4.926 14.047 ( 7.187 0.433 -14.124) 15.853 14.047 ( 7.187 0.433 14.124) 15.853 14.070 ( 6.114 -0.137 -14.216) 15.475 14.070 ( 6.114 -0.137 14.216) 15.475 18.148 ( -0.339 0.350 -9.508) 9.520 18.148 ( -0.339 0.350 9.508) 9.520 18.230 ( -4.064 -0.510 -6.352) 7.558 18.230 ( -4.064 -0.510 6.352) 7.558 20.828 ( 9.522 -0.952 -5.021) 10.807 20.828 ( 9.522 -0.952 5.021) 10.807 20.864 ( 9.884 0.386 -4.900) 11.038 20.864 ( 9.884 0.386 4.899) 11.038 23.001 ( -7.429 -0.594 -3.145) 8.090 23.001 ( -7.429 -0.594 3.145) 8.090 23.036 ( -8.678 0.678 -3.379) 9.337 23.036 ( -8.678 0.678 3.379) 9.337 28.571 ( -0.088 -0.354 -0.340) 0.499 28.571 ( -0.088 -0.354 0.340) 0.499 28.592 ( -0.016 0.339 -0.416) 0.537 28.592 ( -0.016 0.339 0.416) 0.537 29.783 ( 2.994 -0.612 -5.941) 6.681 29.783 ( 2.994 -0.612 5.941) 6.681 29.963 ( -1.274 2.466 -5.954) 6.570 29.963 ( -1.274 2.466 5.954) 6.570 30.329 ( -0.150 -3.318 -9.678) 10.232 30.329 ( -0.150 -3.318 9.678) 10.232 30.463 ( 0.853 1.714 -6.156) 6.447 30.463 ( 0.853 1.714 6.156) 6.447 30.924 ( -1.495 -0.313 -2.127) 2.618 30.924 ( -1.495 -0.313 2.127) 2.618 31.037 ( -2.041 0.450 -3.535) 4.107 31.037 ( -2.041 0.450 3.535) 4.107 31.721 ( 2.629 -1.098 -3.743) 4.704 31.721 ( 2.629 -1.098 3.743) 4.704 31.812 ( -0.041 0.941 -7.391) 7.451 31.812 ( -0.041 0.941 7.391) 7.451 ======================= Grid point 195 (68/72) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 -0.740 -2.105) 2.232 2.201 ( 0.000 -0.740 2.106) 2.232 2.248 ( 0.000 1.282 -5.465) 5.614 2.248 ( 0.000 1.282 5.466) 5.614 3.071 ( 0.000 0.999 -5.694) 5.781 3.071 ( 0.000 0.999 5.694) 5.781 3.109 ( 0.000 1.978 -5.673) 6.008 3.109 ( 0.000 1.978 5.673) 6.008 3.844 ( 0.000 -3.681 -10.993) 11.593 3.844 ( 0.000 -3.681 10.993) 11.593 3.884 ( 0.000 -5.754 -6.186) 8.448 3.884 ( 0.000 -5.754 6.186) 8.448 4.124 ( 0.000 2.143 -9.956) 10.184 4.124 ( -0.000 2.143 9.956) 10.184 4.143 ( 0.000 -2.087 -7.062) 7.364 4.143 ( -0.000 -2.087 7.062) 7.364 4.418 ( -0.000 1.545 -4.733) 4.979 4.418 ( 0.000 1.545 4.733) 4.979 4.507 ( 0.000 2.560 -7.599) 8.018 4.507 ( -0.000 2.560 7.599) 8.018 4.846 ( 0.000 -2.249 -6.934) 7.289 4.846 ( 0.000 -2.249 6.934) 7.289 4.941 ( 0.000 3.006 -4.300) 5.246 4.941 ( 0.000 3.006 4.300) 5.246 5.127 ( 0.000 -3.215 -5.017) 5.958 5.127 ( 0.000 -3.215 5.017) 5.958 5.410 ( 0.000 9.393 -4.954) 10.619 5.410 ( 0.000 9.393 4.954) 10.619 5.788 ( 0.000 -5.619 -2.794) 6.275 5.788 ( 0.000 -5.619 2.794) 6.275 5.977 ( 0.000 -0.385 -1.746) 1.788 5.977 ( 0.000 -0.385 1.746) 1.788 6.521 ( 0.000 -2.846 -3.469) 4.487 6.521 ( 0.000 -2.846 3.469) 4.487 6.647 ( 0.000 1.842 -8.549) 8.745 6.647 ( 0.000 1.842 8.549) 8.745 6.849 ( 0.000 -1.994 -2.334) 3.070 6.849 ( 0.000 -1.994 2.334) 3.070 7.044 ( 0.000 3.757 -4.544) 5.896 7.044 ( 0.000 3.757 4.544) 5.896 7.845 ( 0.000 -0.779 -19.120) 19.136 7.845 ( 0.000 -0.779 19.120) 19.136 7.910 ( 0.000 2.639 -17.686) 17.882 7.910 ( 0.000 2.639 17.686) 17.882 8.315 ( -0.000 -1.130 -6.811) 6.904 8.315 ( 0.000 -1.130 6.811) 6.904 8.354 ( 0.000 0.344 -11.645) 11.650 8.354 ( 0.000 0.344 11.645) 11.650 9.171 ( 0.000 -2.011 -6.408) 6.716 9.171 ( 0.000 -2.011 6.408) 6.716 9.265 ( 0.000 1.224 -0.473) 1.312 9.265 ( 0.000 1.224 0.473) 1.312 10.403 ( 0.000 -2.310 -4.077) 4.687 10.403 ( 0.000 -2.310 4.077) 4.687 10.475 ( 0.000 0.553 -5.887) 5.913 10.475 ( 0.000 0.553 5.887) 5.913 10.920 ( 0.000 -2.516 -2.995) 3.911 10.920 ( 0.000 -2.516 2.995) 3.911 11.099 ( 0.000 4.025 -6.727) 7.839 11.099 ( 0.000 4.025 6.727) 7.840 11.644 ( 0.000 -0.693 -14.164) 14.181 11.644 ( 0.000 -0.693 14.164) 14.181 11.701 ( 0.000 1.351 -19.758) 19.805 11.701 ( 0.000 1.351 19.758) 19.805 12.133 ( 0.000 -0.167 -6.035) 6.037 12.133 ( 0.000 -0.167 6.035) 6.037 12.144 ( 0.000 0.470 -5.894) 5.913 12.144 ( -0.000 0.470 5.894) 5.913 13.023 ( 0.000 -1.753 -8.623) 8.799 13.023 ( 0.000 -1.753 8.623) 8.799 13.078 ( 0.000 0.426 -6.435) 6.449 13.078 ( 0.000 0.426 6.435) 6.449 14.128 ( 0.000 0.102 -14.686) 14.686 14.128 ( 0.000 0.102 14.686) 14.686 14.131 ( 0.000 0.221 -14.681) 14.683 14.131 ( -0.000 0.221 14.681) 14.683 18.153 ( 0.000 -0.451 -2.711) 2.748 18.153 ( 0.000 -0.451 2.711) 2.748 18.177 ( 0.000 0.440 -2.683) 2.718 18.177 ( 0.000 0.440 2.683) 2.718 20.939 ( 0.000 -1.071 -7.962) 8.034 20.939 ( 0.000 -1.071 7.962) 8.034 20.977 ( 0.000 0.372 -8.062) 8.071 20.977 ( 0.000 0.372 8.062) 8.071 22.919 ( 0.000 -0.120 -4.310) 4.312 22.919 ( 0.000 -0.120 4.310) 4.312 22.928 ( 0.000 0.243 -5.125) 5.131 22.928 ( 0.000 0.243 5.125) 5.131 28.571 ( 0.000 -0.391 -0.381) 0.546 28.571 ( 0.000 -0.391 0.381) 0.546 28.591 ( 0.000 0.381 -0.685) 0.784 28.591 ( 0.000 0.381 0.685) 0.784 29.822 ( 0.000 -1.380 -5.292) 5.468 29.822 ( 0.000 -1.380 5.292) 5.468 29.942 ( 0.000 3.670 -8.565) 9.318 29.942 ( 0.000 3.670 8.565) 9.318 30.328 ( 0.000 -4.090 -10.937) 11.677 30.328 ( 0.000 -4.090 10.937) 11.677 30.472 ( 0.000 1.805 -7.245) 7.467 30.472 ( 0.000 1.805 7.245) 7.467 30.901 ( 0.000 -1.912 -2.256) 2.957 30.901 ( 0.000 -1.912 2.256) 2.957 31.021 ( 0.000 2.586 -3.988) 4.753 31.021 ( 0.000 2.586 3.988) 4.753 31.754 ( 0.000 -1.254 -6.823) 6.937 31.754 ( 0.000 -1.254 6.823) 6.937 31.807 ( 0.000 0.798 -8.407) 8.445 31.807 ( 0.000 0.798 8.407) 8.445 ======================= Grid point 203 (69/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 -0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 -0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 -0.000 0.000) 0.000 4.757 ( 0.000 -0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 -0.000 -0.000) 0.000 5.491 ( 0.000 0.000 -0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 -0.000) 0.000 5.945 ( 0.000 0.000 -0.000) 0.000 6.103 ( 0.000 -0.000 -0.000) 0.000 6.103 ( 0.000 0.000 -0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 -0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 8.407 ( 0.000 0.000 0.000) 0.000 8.407 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 -0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 -0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.524 ( 0.000 0.000 -0.000) 0.000 11.524 ( 0.000 0.000 -0.000) 0.000 12.549 ( 0.000 0.000 0.000) 0.000 12.549 ( 0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 12.998 ( 0.000 0.000 0.000) 0.000 12.998 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.752 ( 0.000 0.000 -0.000) 0.000 13.752 ( 0.000 0.000 -0.000) 0.000 13.799 ( 0.000 0.000 0.000) 0.000 13.799 ( 0.000 -0.000 0.000) 0.000 18.183 ( 0.000 0.000 -0.000) 0.000 18.183 ( 0.000 0.000 0.000) 0.000 18.347 ( 0.000 0.000 0.000) 0.000 18.347 ( 0.000 0.000 0.000) 0.000 20.527 ( 0.000 0.000 -0.000) 0.000 20.527 ( 0.000 -0.000 0.000) 0.000 20.545 ( 0.000 0.000 -0.000) 0.000 20.545 ( 0.000 0.000 0.000) 0.000 23.222 ( 0.000 0.000 -0.000) 0.000 23.222 ( 0.000 0.000 0.000) 0.000 23.308 ( 0.000 0.000 0.000) 0.000 23.308 ( 0.000 0.000 0.000) 0.000 28.573 ( 0.000 0.000 0.000) 0.000 28.573 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 29.699 ( 0.000 0.000 0.000) 0.000 29.699 ( 0.000 0.000 0.000) 0.000 29.987 ( 0.000 0.000 0.000) 0.000 29.987 ( 0.000 0.000 0.000) 0.000 30.342 ( 0.000 0.000 0.000) 0.000 30.342 ( 0.000 0.000 0.000) 0.000 30.445 ( 0.000 0.000 0.000) 0.000 30.445 ( 0.000 0.000 0.000) 0.000 30.972 ( 0.000 0.000 0.000) 0.000 30.972 ( 0.000 0.000 0.000) 0.000 31.106 ( 0.000 0.000 0.000) 0.000 31.106 ( 0.000 0.000 0.000) 0.000 31.600 ( 0.000 0.000 0.000) 0.000 31.600 ( 0.000 0.000 0.000) 0.000 31.832 ( 0.000 0.000 0.000) 0.000 31.832 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 207 (70/72) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -5.713 0.000 -1.737) 5.971 2.676 ( -5.713 0.000 1.737) 5.971 2.807 ( -16.692 0.000 -2.833) 16.930 2.807 ( -16.692 0.000 2.833) 16.930 3.156 ( -1.398 0.000 -12.089) 12.170 3.156 ( -1.398 0.000 12.089) 12.170 3.422 ( 0.708 0.000 -3.491) 3.563 3.422 ( 0.708 0.000 3.491) 3.563 3.643 ( -11.843 0.000 -19.378) 22.710 3.643 ( -11.843 0.000 19.378) 22.710 3.745 ( -4.626 -0.000 -2.440) 5.230 3.745 ( -4.626 -0.000 2.440) 5.230 4.076 ( -0.212 0.000 -0.476) 0.521 4.076 ( -0.212 0.000 0.476) 0.521 4.306 ( 1.929 0.000 -6.505) 6.785 4.306 ( 1.929 0.000 6.505) 6.785 4.492 ( -1.459 0.000 -0.385) 1.509 4.492 ( -1.459 0.000 0.385) 1.509 4.645 ( -2.349 0.000 -7.518) 7.877 4.645 ( -2.349 0.000 7.519) 7.877 4.828 ( 7.299 0.000 -6.972) 10.093 4.828 ( 7.299 0.000 6.972) 10.093 4.945 ( -10.586 0.000 -4.709) 11.586 4.945 ( -10.586 0.000 4.709) 11.586 5.317 ( -3.302 0.000 -3.712) 4.968 5.317 ( -3.302 0.000 3.712) 4.968 5.436 ( -2.381 -0.000 -1.678) 2.913 5.436 ( -2.381 0.000 1.678) 2.913 5.884 ( 4.320 0.000 -4.413) 6.176 5.884 ( 4.320 0.000 4.413) 6.176 5.956 ( 3.320 0.000 -4.387) 5.501 5.956 ( 3.320 0.000 4.387) 5.501 6.118 ( -0.494 0.000 -6.457) 6.476 6.118 ( -0.494 0.000 6.457) 6.476 6.379 ( 3.733 0.000 -1.808) 4.148 6.379 ( 3.733 0.000 1.808) 4.148 6.732 ( 17.868 0.000 -7.523) 19.387 6.732 ( 17.868 0.000 7.523) 19.387 7.218 ( 4.498 -0.000 -0.329) 4.510 7.218 ( 4.498 0.000 0.329) 4.510 7.332 ( 4.438 -0.000 -2.284) 4.991 7.332 ( 4.438 0.000 2.284) 4.991 7.407 ( 10.469 0.000 -6.060) 12.096 7.407 ( 10.469 0.000 6.060) 12.096 8.353 ( -4.214 0.000 -0.502) 4.244 8.353 ( -4.214 0.000 0.502) 4.244 8.703 ( -6.322 0.000 -2.598) 6.835 8.703 ( -6.322 0.000 2.598) 6.835 9.061 ( -0.115 0.000 -1.694) 1.698 9.061 ( -0.115 0.000 1.694) 1.698 9.276 ( 4.766 0.000 -0.813) 4.834 9.276 ( 4.766 0.000 0.813) 4.834 10.584 ( -5.850 0.000 -3.373) 6.753 10.584 ( -5.850 0.000 3.373) 6.753 10.694 ( -1.127 0.000 -12.399) 12.450 10.694 ( -1.127 0.000 12.399) 12.450 10.905 ( -6.448 0.000 -6.330) 9.036 10.905 ( -6.448 0.000 6.330) 9.036 11.222 ( -0.913 0.000 -2.238) 2.417 11.222 ( -0.913 0.000 2.238) 2.417 11.476 ( 4.105 0.000 -17.086) 17.572 11.476 ( 4.105 0.000 17.086) 17.572 11.606 ( 5.439 0.000 -16.266) 17.151 11.606 ( 5.439 0.000 16.266) 17.151 12.393 ( -12.104 0.000 -2.309) 12.323 12.393 ( -12.104 0.000 2.309) 12.323 12.505 ( -11.373 0.000 -3.950) 12.040 12.505 ( -11.373 0.000 3.950) 12.040 13.013 ( 0.375 0.000 -2.632) 2.659 13.013 ( 0.375 0.000 2.632) 2.659 13.220 ( -4.217 0.000 -0.124) 4.219 13.220 ( -4.217 0.000 0.124) 4.219 13.871 ( 9.450 0.000 -7.046) 11.787 13.871 ( 9.450 0.000 7.046) 11.787 13.905 ( 8.441 0.000 -6.548) 10.683 13.905 ( 8.441 0.000 6.548) 10.683 18.172 ( -0.948 0.000 -0.373) 1.019 18.172 ( -0.948 0.000 0.373) 1.019 18.304 ( -3.728 0.000 -0.451) 3.755 18.304 ( -3.728 0.000 0.451) 3.755 20.619 ( 8.324 0.000 -3.403) 8.993 20.619 ( 8.324 0.000 3.403) 8.993 20.650 ( 9.444 0.000 -2.982) 9.904 20.650 ( 9.444 0.000 2.982) 9.904 23.150 ( -6.595 0.000 -1.565) 6.778 23.150 ( -6.595 0.000 1.565) 6.778 23.226 ( -7.511 0.000 -1.832) 7.731 23.226 ( -7.511 0.000 1.832) 7.731 28.571 ( -0.167 0.000 -0.520) 0.547 28.571 ( -0.167 0.000 0.520) 0.547 28.595 ( 0.028 0.000 -0.097) 0.101 28.595 ( 0.028 0.000 0.097) 0.101 29.723 ( 2.186 0.000 -0.986) 2.398 29.723 ( 2.186 0.000 0.986) 2.398 29.993 ( 0.418 0.000 -2.489) 2.524 29.993 ( 0.418 0.000 2.489) 2.524 30.321 ( -1.743 0.000 -6.363) 6.597 30.321 ( -1.743 0.000 6.363) 6.597 30.458 ( 1.075 0.000 -5.442) 5.547 30.458 ( 1.075 0.000 5.442) 5.547 30.974 ( -0.536 0.000 -0.233) 0.585 30.974 ( -0.536 0.000 0.233) 0.585 31.061 ( -3.000 0.000 -0.226) 3.008 31.061 ( -3.000 0.000 0.226) 3.008 31.641 ( 3.351 0.000 -0.845) 3.456 31.641 ( 3.351 0.000 0.845) 3.456 31.830 ( -0.183 0.000 -2.195) 2.203 31.830 ( -0.183 0.000 2.195) 2.203 ======================= Grid point 211 (71/72) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -17.760 0.000 -12.183) 21.537 2.370 ( -17.760 0.000 12.183) 21.537 2.492 ( -15.308 0.000 -4.876) 16.066 2.492 ( -15.308 0.000 4.876) 16.066 3.109 ( -2.691 0.000 -9.696) 10.062 3.109 ( -2.691 0.000 9.696) 10.062 3.239 ( -9.783 0.000 -0.147) 9.784 3.239 ( -9.783 0.000 0.147) 9.784 3.677 ( 8.747 0.000 -4.768) 9.962 3.677 ( 8.747 0.000 4.768) 9.962 3.754 ( 3.685 0.000 -7.309) 8.185 3.754 ( 3.685 0.000 7.309) 8.185 4.077 ( 0.556 0.000 -0.954) 1.105 4.077 ( 0.556 0.000 0.954) 1.105 4.269 ( -5.963 0.000 -4.904) 7.720 4.269 ( -5.963 0.000 4.904) 7.720 4.450 ( -1.187 -0.000 -1.594) 1.987 4.450 ( -1.187 0.000 1.594) 1.987 4.593 ( -2.939 0.000 -7.278) 7.849 4.593 ( -2.939 0.000 7.278) 7.849 4.779 ( -1.678 0.000 -4.815) 5.100 4.779 ( -1.678 0.000 4.816) 5.100 4.994 ( 5.537 0.000 -5.985) 8.154 4.994 ( 5.537 0.000 5.985) 8.154 5.155 ( -9.286 0.000 -5.647) 10.868 5.155 ( -9.286 0.000 5.647) 10.868 5.471 ( 3.685 0.000 -1.255) 3.893 5.471 ( 3.685 0.000 1.255) 3.893 5.840 ( -6.446 -0.000 -2.219) 6.817 5.840 ( -6.446 0.000 2.219) 6.817 5.983 ( -4.474 0.000 -1.853) 4.842 5.983 ( -4.474 0.000 1.853) 4.842 6.271 ( 16.597 0.000 -3.720) 17.009 6.271 ( 16.597 0.000 3.720) 17.009 6.517 ( 9.246 0.000 -0.326) 9.251 6.517 ( 9.246 0.000 0.326) 9.251 6.934 ( -0.625 0.000 -4.196) 4.242 6.934 ( -0.625 0.000 4.196) 4.242 7.159 ( -6.576 0.000 -1.172) 6.680 7.159 ( -6.576 0.000 1.172) 6.680 7.591 ( 19.023 0.000 -4.389) 19.523 7.591 ( 19.023 0.000 4.389) 19.523 7.749 ( 16.533 0.000 -0.351) 16.537 7.749 ( 16.533 0.000 0.351) 16.537 8.282 ( -1.803 0.000 -0.957) 2.041 8.282 ( -1.803 0.000 0.958) 2.041 8.528 ( -10.014 0.000 -6.454) 11.914 8.528 ( -10.014 0.000 6.454) 11.914 9.089 ( 2.844 0.000 -4.740) 5.527 9.089 ( 2.844 0.000 4.740) 5.527 9.326 ( -0.868 0.000 -1.697) 1.906 9.326 ( -0.868 0.000 1.697) 1.906 10.442 ( -6.443 0.000 -6.151) 8.907 10.442 ( -6.443 0.000 6.151) 8.907 10.590 ( -8.183 0.000 -13.191) 15.523 10.590 ( -8.183 0.000 13.191) 15.523 10.857 ( 1.799 0.000 -4.322) 4.681 10.857 ( 1.799 0.000 4.322) 4.681 11.183 ( -2.601 0.000 -3.428) 4.303 11.183 ( -2.601 0.000 3.428) 4.303 11.582 ( 4.898 0.000 -11.294) 12.311 11.582 ( 4.898 0.000 11.294) 12.311 11.694 ( 2.609 0.000 -17.381) 17.576 11.694 ( 2.609 0.000 17.381) 17.576 12.180 ( -6.847 0.000 -1.379) 6.985 12.180 ( -6.847 0.000 1.379) 6.985 12.273 ( -9.753 0.000 -3.924) 10.512 12.273 ( -9.753 0.000 3.924) 10.512 13.006 ( -0.554 0.000 -5.702) 5.729 13.006 ( -0.554 0.000 5.702) 5.729 13.131 ( -4.039 0.000 -2.419) 4.708 13.131 ( -4.039 0.000 2.419) 4.708 14.054 ( 7.078 0.000 -11.385) 13.406 14.054 ( 7.078 0.000 11.385) 13.406 14.068 ( 6.261 0.000 -11.177) 12.811 14.068 ( 6.261 0.000 11.177) 12.811 18.153 ( -0.689 0.000 -0.873) 1.112 18.153 ( -0.689 0.000 0.873) 1.112 18.223 ( -3.524 0.000 -0.867) 3.629 18.223 ( -3.524 0.000 0.867) 3.629 20.817 ( 9.349 0.000 -5.100) 10.650 20.817 ( 9.349 0.000 5.100) 10.650 20.867 ( 9.892 0.000 -4.895) 11.037 20.867 ( 9.892 0.000 4.895) 11.037 22.994 ( -7.141 0.000 -2.701) 7.635 22.994 ( -7.141 0.000 2.701) 7.635 23.043 ( -8.922 0.000 -3.453) 9.567 23.043 ( -8.922 0.000 3.453) 9.567 28.567 ( -0.106 0.000 -0.391) 0.405 28.567 ( -0.106 0.000 0.391) 0.405 28.595 ( 0.007 0.000 -0.329) 0.329 28.595 ( 0.007 0.000 0.329) 0.329 29.776 ( 2.644 0.000 -2.441) 3.599 29.776 ( 2.644 0.000 2.441) 3.599 29.996 ( -0.223 0.000 -5.891) 5.895 29.996 ( -0.223 0.000 5.891) 5.895 30.287 ( -1.230 0.000 -10.337) 10.410 30.287 ( -1.230 0.000 10.337) 10.410 30.480 ( 0.939 0.000 -8.106) 8.160 30.480 ( 0.939 0.000 8.106) 8.160 30.921 ( -3.445 0.000 -1.009) 3.590 30.921 ( -3.445 0.000 1.009) 3.590 31.042 ( 0.551 0.000 -0.614) 0.825 31.042 ( 0.551 0.000 0.614) 0.825 31.708 ( 2.730 0.000 -3.061) 4.102 31.708 ( 2.730 0.000 3.061) 4.102 31.823 ( -0.501 0.000 -5.234) 5.258 31.823 ( -0.501 0.000 5.234) 5.258 ======================= Grid point 215 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.000 0.000 -3.315) 3.315 2.192 ( 0.000 0.000 3.315) 3.315 2.263 ( 0.000 0.000 -6.294) 6.294 2.263 ( 0.000 0.000 6.294) 6.294 3.090 ( 0.000 0.000 -4.082) 4.082 3.090 ( 0.000 0.000 4.082) 4.082 3.135 ( -0.000 -0.000 -5.115) 5.115 3.135 ( -0.000 0.000 5.115) 5.115 3.799 ( 0.000 0.000 -5.300) 5.300 3.799 ( -0.000 0.000 5.300) 5.300 3.803 ( 0.000 0.000 -5.373) 5.373 3.803 ( 0.000 0.000 5.374) 5.374 4.113 ( 0.000 0.000 -1.278) 1.278 4.113 ( 0.000 0.000 1.278) 1.278 4.157 ( -0.000 0.000 -6.920) 6.920 4.157 ( 0.000 0.000 6.921) 6.921 4.442 ( -0.000 0.000 -2.944) 2.944 4.442 ( 0.000 0.000 2.944) 2.944 4.531 ( 0.000 0.000 -4.518) 4.518 4.531 ( -0.000 0.000 4.518) 4.518 4.819 ( 0.000 0.000 -5.617) 5.617 4.819 ( 0.000 0.000 5.617) 5.617 4.992 ( 0.000 0.000 -0.600) 0.600 4.992 ( 0.000 0.000 0.600) 0.600 5.084 ( 0.000 0.000 -9.435) 9.435 5.084 ( 0.000 0.000 9.435) 9.435 5.536 ( 0.000 0.000 -5.754) 5.754 5.536 ( 0.000 0.000 5.754) 5.754 5.721 ( 0.000 0.000 -0.737) 0.737 5.721 ( -0.000 -0.000 0.737) 0.737 5.943 ( 0.000 0.000 -1.649) 1.649 5.943 ( 0.000 -0.000 1.649) 1.649 6.497 ( 0.000 0.000 -3.459) 3.459 6.497 ( 0.000 0.000 3.459) 3.459 6.669 ( 0.000 0.000 -6.522) 6.522 6.669 ( 0.000 0.000 6.522) 6.522 6.833 ( -0.000 0.000 -1.312) 1.312 6.833 ( 0.000 0.000 1.312) 1.312 7.080 ( 0.000 0.000 -3.794) 3.794 7.080 ( 0.000 0.000 3.794) 3.794 7.835 ( 0.000 0.000 -16.273) 16.273 7.835 ( 0.000 0.000 16.273) 16.273 7.945 ( -0.000 0.000 -14.096) 14.096 7.945 ( 0.000 0.000 14.096) 14.096 8.301 ( 0.000 0.000 -1.744) 1.744 8.301 ( 0.000 0.000 1.744) 1.744 8.357 ( -0.000 0.000 -10.666) 10.666 8.357 ( 0.000 0.000 10.666) 10.666 9.149 ( -0.000 0.000 -7.715) 7.715 9.149 ( 0.000 0.000 7.715) 7.715 9.276 ( 0.000 0.000 -0.777) 0.777 9.276 ( 0.000 0.000 0.777) 0.777 10.375 ( 0.000 0.000 -2.754) 2.754 10.375 ( 0.000 0.000 2.754) 2.754 10.480 ( 0.000 0.000 -5.956) 5.956 10.480 ( 0.000 0.000 5.956) 5.956 10.894 ( 0.000 0.000 -3.761) 3.761 10.894 ( 0.000 0.000 3.761) 3.761 11.144 ( 0.000 0.000 -7.630) 7.630 11.144 ( 0.000 0.000 7.630) 7.630 11.638 ( 0.000 0.000 -11.051) 11.051 11.638 ( 0.000 0.000 11.051) 11.051 11.716 ( 0.000 0.000 -18.842) 18.842 11.716 ( 0.000 0.000 18.842) 18.842 12.131 ( 0.000 0.000 -0.388) 0.388 12.131 ( 0.000 0.000 0.388) 0.388 12.151 ( -0.000 0.000 -2.088) 2.088 12.151 ( -0.000 0.000 2.088) 2.088 13.002 ( 0.000 0.000 -9.456) 9.456 13.002 ( 0.000 0.000 9.456) 9.456 13.082 ( 0.000 0.000 -6.232) 6.232 13.082 ( 0.000 0.000 6.232) 6.232 14.130 ( 0.000 0.000 -14.728) 14.728 14.130 ( 0.000 0.000 14.728) 14.728 14.134 ( 0.000 0.000 -14.720) 14.720 14.134 ( -0.000 0.000 14.720) 14.720 18.148 ( 0.000 0.000 -2.068) 2.068 18.148 ( 0.000 0.000 2.068) 2.068 18.182 ( 0.000 0.000 -2.003) 2.003 18.182 ( 0.000 0.000 2.003) 2.003 20.927 ( 0.000 0.000 -7.839) 7.839 20.927 ( 0.000 0.000 7.839) 7.839 20.981 ( 0.000 0.000 -8.013) 8.013 20.981 ( 0.000 0.000 8.013) 8.013 22.918 ( 0.000 0.000 -4.058) 4.058 22.918 ( 0.000 0.000 4.058) 4.058 22.931 ( 0.000 0.000 -5.227) 5.227 22.931 ( 0.000 0.000 5.227) 5.227 28.567 ( 0.000 0.000 -0.143) 0.143 28.567 ( 0.000 0.000 0.143) 0.143 28.595 ( 0.000 0.000 -0.680) 0.680 28.595 ( 0.000 0.000 0.680) 0.680 29.809 ( 0.000 0.000 -3.828) 3.828 29.809 ( 0.000 0.000 3.828) 3.828 29.990 ( 0.000 0.000 -8.283) 8.283 29.990 ( 0.000 0.000 8.283) 8.283 30.276 ( 0.000 0.000 -11.956) 11.956 30.276 ( 0.000 0.000 11.956) 11.956 30.490 ( 0.000 0.000 -8.886) 8.886 30.490 ( 0.000 0.000 8.886) 8.886 30.881 ( 0.000 0.000 -1.584) 1.584 30.881 ( 0.000 0.000 1.584) 1.584 31.051 ( 0.000 0.000 -1.223) 1.223 31.051 ( 0.000 0.000 1.223) 1.223 31.739 ( 0.000 0.000 -6.035) 6.035 31.739 ( 0.000 0.000 6.035) 6.035 31.816 ( 0.000 0.000 -8.440) 8.440 31.816 ( 0.000 0.000 8.440) 8.440 =================== 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 3/25920 10.0 458.536 604.204 552.825 0.000 0.000 0.000 3/25920 20.0 144.552 89.311 187.535 0.000 0.000 0.000 3/25920 30.0 58.641 29.584 76.102 0.000 0.000 0.000 3/25920 40.0 30.388 14.204 39.751 0.000 0.000 0.000 3/25920 50.0 18.780 8.440 24.705 0.000 0.000 0.000 3/25920 60.0 13.063 5.735 17.251 0.000 0.000 0.000 3/25920 70.0 9.849 4.256 13.044 0.000 0.000 0.000 3/25920 80.0 7.854 3.354 10.435 0.000 0.000 0.000 3/25920 90.0 6.521 2.757 8.700 0.000 0.000 0.000 3/25920 100.0 5.580 2.339 7.485 0.000 0.000 0.000 3/25920 110.0 4.884 2.030 6.600 0.000 0.000 0.000 3/25920 120.0 4.353 1.794 5.934 0.000 0.000 0.000 3/25920 130.0 3.936 1.609 5.419 0.000 0.000 0.000 3/25920 140.0 3.600 1.459 5.012 0.000 0.000 0.000 3/25920 150.0 3.325 1.336 4.682 0.000 0.000 0.000 3/25920 160.0 3.095 1.233 4.410 0.000 0.000 0.000 3/25920 170.0 2.902 1.146 4.182 0.000 0.000 0.000 3/25920 180.0 2.736 1.071 3.987 0.000 0.000 0.000 3/25920 190.0 2.592 1.006 3.818 0.000 0.000 0.000 3/25920 200.0 2.466 0.950 3.670 0.000 0.000 0.000 3/25920 210.0 2.354 0.900 3.539 0.000 0.000 0.000 3/25920 220.0 2.255 0.855 3.421 0.000 0.000 0.000 3/25920 230.0 2.166 0.816 3.314 0.000 0.000 0.000 3/25920 240.0 2.085 0.780 3.217 0.000 0.000 0.000 3/25920 250.0 2.011 0.748 3.127 0.000 0.000 0.000 3/25920 260.0 1.944 0.719 3.043 0.000 0.000 0.000 3/25920 270.0 1.882 0.693 2.966 0.000 0.000 0.000 3/25920 280.0 1.825 0.668 2.893 0.000 0.000 0.000 3/25920 290.0 1.771 0.646 2.825 0.000 0.000 0.000 3/25920 300.0 1.722 0.626 2.760 0.000 0.000 0.000 3/25920 310.0 1.675 0.607 2.699 0.000 0.000 0.000 3/25920 320.0 1.631 0.589 2.641 0.000 0.000 0.000 3/25920 330.0 1.590 0.573 2.586 0.000 0.000 0.000 3/25920 340.0 1.552 0.557 2.533 0.000 0.000 0.000 3/25920 350.0 1.515 0.543 2.483 0.000 0.000 0.000 3/25920 360.0 1.480 0.529 2.434 0.000 0.000 0.000 3/25920 370.0 1.447 0.517 2.388 0.000 0.000 0.000 3/25920 380.0 1.415 0.505 2.343 0.000 0.000 0.000 3/25920 390.0 1.385 0.493 2.300 0.000 0.000 0.000 3/25920 400.0 1.356 0.482 2.259 0.000 0.000 0.000 3/25920 410.0 1.329 0.472 2.219 0.000 0.000 0.000 3/25920 420.0 1.302 0.462 2.180 0.000 0.000 0.000 3/25920 430.0 1.277 0.453 2.143 0.000 0.000 0.000 3/25920 440.0 1.253 0.444 2.107 0.000 0.000 0.000 3/25920 450.0 1.229 0.436 2.072 0.000 0.000 0.000 3/25920 460.0 1.207 0.427 2.038 0.000 0.000 0.000 3/25920 470.0 1.185 0.420 2.005 0.000 0.000 0.000 3/25920 480.0 1.164 0.412 1.973 0.000 0.000 0.000 3/25920 490.0 1.144 0.405 1.943 0.000 0.000 0.000 3/25920 500.0 1.125 0.398 1.913 0.000 0.000 0.000 3/25920 510.0 1.106 0.391 1.884 0.000 0.000 0.000 3/25920 520.0 1.087 0.385 1.855 0.000 0.000 0.000 3/25920 530.0 1.070 0.379 1.828 0.000 0.000 0.000 3/25920 540.0 1.053 0.372 1.801 0.000 0.000 0.000 3/25920 550.0 1.036 0.367 1.775 0.000 0.000 0.000 3/25920 560.0 1.020 0.361 1.750 0.000 0.000 0.000 3/25920 570.0 1.005 0.356 1.725 0.000 0.000 0.000 3/25920 580.0 0.990 0.350 1.701 0.000 0.000 0.000 3/25920 590.0 0.975 0.345 1.678 0.000 0.000 0.000 3/25920 600.0 0.961 0.340 1.655 0.000 0.000 0.000 3/25920 610.0 0.947 0.335 1.633 0.000 0.000 0.000 3/25920 620.0 0.933 0.331 1.611 0.000 0.000 0.000 3/25920 630.0 0.920 0.326 1.590 0.000 0.000 0.000 3/25920 640.0 0.908 0.322 1.569 0.000 0.000 0.000 3/25920 650.0 0.895 0.317 1.549 0.000 0.000 0.000 3/25920 660.0 0.883 0.313 1.529 0.000 0.000 0.000 3/25920 670.0 0.871 0.309 1.510 0.000 0.000 0.000 3/25920 680.0 0.860 0.305 1.491 0.000 0.000 0.000 3/25920 690.0 0.849 0.301 1.473 0.000 0.000 0.000 3/25920 700.0 0.838 0.297 1.455 0.000 0.000 0.000 3/25920 710.0 0.827 0.293 1.438 0.000 0.000 0.000 3/25920 720.0 0.817 0.290 1.421 0.000 0.000 0.000 3/25920 730.0 0.807 0.286 1.404 0.000 0.000 0.000 3/25920 740.0 0.797 0.283 1.388 0.000 0.000 0.000 3/25920 750.0 0.787 0.280 1.372 0.000 0.000 0.000 3/25920 760.0 0.778 0.276 1.356 0.000 0.000 0.000 3/25920 770.0 0.769 0.273 1.341 0.000 0.000 0.000 3/25920 780.0 0.760 0.270 1.326 0.000 0.000 0.000 3/25920 790.0 0.751 0.267 1.311 0.000 0.000 0.000 3/25920 800.0 0.742 0.264 1.296 0.000 0.000 0.000 3/25920 810.0 0.734 0.261 1.282 0.000 0.000 0.000 3/25920 820.0 0.726 0.258 1.269 0.000 0.000 0.000 3/25920 830.0 0.718 0.255 1.255 0.000 0.000 0.000 3/25920 840.0 0.710 0.252 1.242 0.000 0.000 0.000 3/25920 850.0 0.702 0.250 1.229 0.000 0.000 0.000 3/25920 860.0 0.694 0.247 1.216 0.000 0.000 0.000 3/25920 870.0 0.687 0.245 1.204 0.000 0.000 0.000 3/25920 880.0 0.680 0.242 1.191 0.000 0.000 0.000 3/25920 890.0 0.673 0.240 1.179 0.000 0.000 0.000 3/25920 900.0 0.666 0.237 1.168 0.000 0.000 0.000 3/25920 910.0 0.659 0.235 1.156 0.000 0.000 0.000 3/25920 920.0 0.652 0.232 1.145 0.000 0.000 0.000 3/25920 930.0 0.646 0.230 1.134 0.000 0.000 0.000 3/25920 940.0 0.639 0.228 1.123 0.000 0.000 0.000 3/25920 950.0 0.633 0.226 1.112 0.000 0.000 0.000 3/25920 960.0 0.627 0.224 1.102 0.000 0.000 0.000 3/25920 970.0 0.621 0.221 1.091 0.000 0.000 0.000 3/25920 980.0 0.615 0.219 1.081 0.000 0.000 0.000 3/25920 990.0 0.609 0.217 1.071 0.000 0.000 0.000 3/25920 1000.0 0.603 0.215 1.061 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m6410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:24:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|