----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.801203045011159 -5.863261245000000 0.000000000000000 b 7.801203045011159 5.863261245000000 0.000000000000000 c -1.663995258942720 0.000000000000000 4.842752524498143 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 *2 Pb 0.27557061469538 0.27557061469538 0.21706521679619 207.200 3 Pb 0.72442938530462 0.72442938530462 0.78293478320381 207.200 *4 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 *5 Ga 0.63288984901890 0.36711015098110 0.50000000000000 69.723 6 Ga 0.36711015098110 0.63288984901890 0.50000000000000 69.723 *7 Ga 0.99351147176309 0.72119295083172 0.37578411910151 69.723 8 Ga 0.27880704916828 0.00648852823691 0.62421588089849 69.723 9 Ga 0.00648852823691 0.27880704916828 0.62421588089849 69.723 10 Ga 0.72119295083172 0.99351147176309 0.37578411910151 69.723 *11 Ga 0.84960409840103 0.42179073195238 0.10528917439989 69.723 12 Ga 0.57820926804762 0.15039590159897 0.89471082560011 69.723 13 Ga 0.15039590159897 0.57820926804762 0.89471082560011 69.723 14 Ga 0.42179073195238 0.84960409840103 0.10528917439989 69.723 *15 O 0.43271010462866 0.43271010462866 0.25083405889494 15.999 16 O 0.56728989537134 0.56728989537134 0.74916594110506 15.999 *17 O 0.90369550861052 0.90369550861052 0.30562149804617 15.999 18 O 0.09630449138948 0.09630449138948 0.69437850195383 15.999 *19 O 0.87671131270944 0.60446582732612 0.13223250834910 15.999 20 O 0.39553417267388 0.12328868729056 0.86776749165090 15.999 21 O 0.12328868729056 0.39553417267388 0.86776749165090 15.999 22 O 0.60446582732612 0.87671131270944 0.13223250834910 15.999 *23 O 0.17282740119254 0.66114711621924 0.27074813390746 15.999 24 O 0.33885288378076 0.82717259880746 0.72925186609254 15.999 25 O 0.82717259880746 0.33885288378076 0.72925186609254 15.999 26 O 0.66114711621924 0.17282740119254 0.27074813390746 15.999 *27 O 0.72014708265665 0.00827989227665 0.73968065287258 15.999 28 O 0.99172010772335 0.27985291734335 0.26031934712742 15.999 29 O 0.27985291734335 0.99172010772335 0.26031934712742 15.999 30 O 0.00827989227665 0.72014708265665 0.73968065287258 15.999 *31 O 0.54480724805450 0.31610918543522 0.75753891405997 15.999 32 O 0.68389081456478 0.45519275194550 0.24246108594003 15.999 33 O 0.45519275194550 0.68389081456478 0.24246108594003 15.999 34 O 0.31610918543522 0.54480724805450 0.75753891405997 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.602406090022319 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726522490000001 0.000000000000000 c -1.663995258942720 0.000000000000000 4.842752524498143 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 *2 Pb 0.27557061469538 0.00000000000000 0.21706521679619 207.200 > 2 3 Pb 0.72442938530462 0.00000000000000 0.78293478320381 207.200 > 3 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 5 Pb 0.77557061469538 0.50000000000000 0.21706521679619 207.200 > 2 6 Pb 0.22442938530462 0.50000000000000 0.78293478320381 207.200 > 3 *7 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 4 8 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 4 *9 Ga 0.50000000000000 0.86711015098110 0.50000000000000 69.723 > 5 10 Ga 0.50000000000000 0.13288984901890 0.50000000000000 69.723 > 6 *11 Ga 0.85735221129740 0.86384073953431 0.37578411910151 69.723 > 7 12 Ga 0.14264778870260 0.86384073953431 0.62421588089849 69.723 > 8 13 Ga 0.14264778870260 0.13615926046569 0.62421588089849 69.723 > 9 14 Ga 0.85735221129740 0.13615926046569 0.37578411910151 69.723 > 10 *15 Ga 0.63569741517671 0.78609331677567 0.10528917439989 69.723 > 11 16 Ga 0.36430258482329 0.78609331677567 0.89471082560011 69.723 > 12 17 Ga 0.36430258482329 0.21390668322433 0.89471082560011 69.723 > 13 18 Ga 0.63569741517671 0.21390668322433 0.10528917439989 69.723 > 14 19 Ga 0.00000000000000 0.36711015098110 0.50000000000000 69.723 > 5 20 Ga 0.00000000000000 0.63288984901890 0.50000000000000 69.723 > 6 21 Ga 0.35735221129740 0.36384073953431 0.37578411910151 69.723 > 7 22 Ga 0.64264778870260 0.36384073953431 0.62421588089849 69.723 > 8 23 Ga 0.64264778870260 0.63615926046569 0.62421588089849 69.723 > 9 24 Ga 0.35735221129740 0.63615926046569 0.37578411910151 69.723 > 10 25 Ga 0.13569741517671 0.28609331677567 0.10528917439989 69.723 > 11 26 Ga 0.86430258482329 0.28609331677567 0.89471082560011 69.723 > 12 27 Ga 0.86430258482329 0.71390668322433 0.89471082560011 69.723 > 13 28 Ga 0.13569741517671 0.71390668322433 0.10528917439989 69.723 > 14 *29 O 0.43271010462866 0.00000000000000 0.25083405889494 15.999 > 15 30 O 0.56728989537134 0.00000000000000 0.74916594110506 15.999 > 16 *31 O 0.90369550861052 0.00000000000000 0.30562149804617 15.999 > 17 32 O 0.09630449138948 0.00000000000000 0.69437850195383 15.999 > 18 *33 O 0.74058857001778 0.86387725730834 0.13223250834910 15.999 > 19 34 O 0.25941142998222 0.86387725730834 0.86776749165090 15.999 > 20 35 O 0.25941142998222 0.13612274269166 0.86776749165090 15.999 > 21 36 O 0.74058857001778 0.13612274269166 0.13223250834910 15.999 > 22 *37 O 0.41698725870589 0.24415985751335 0.27074813390746 15.999 > 23 38 O 0.58301274129411 0.24415985751335 0.72925186609254 15.999 > 24 39 O 0.58301274129411 0.75584014248665 0.72925186609254 15.999 > 25 40 O 0.41698725870589 0.75584014248665 0.27074813390746 15.999 > 26 *41 O 0.36421348746665 0.64406640481000 0.73968065287258 15.999 > 27 42 O 0.63578651253335 0.64406640481000 0.26031934712742 15.999 > 28 43 O 0.63578651253335 0.35593359519000 0.26031934712742 15.999 > 29 44 O 0.36421348746665 0.35593359519000 0.73968065287258 15.999 > 30 *45 O 0.43045821674486 0.88565096869036 0.75753891405997 15.999 > 31 46 O 0.56954178325514 0.88565096869036 0.24246108594003 15.999 > 32 47 O 0.56954178325514 0.11434903130964 0.24246108594003 15.999 > 33 48 O 0.43045821674486 0.11434903130964 0.75753891405997 15.999 > 34 49 O 0.93271010462866 0.50000000000000 0.25083405889494 15.999 > 15 50 O 0.06728989537134 0.50000000000000 0.74916594110506 15.999 > 16 51 O 0.40369550861052 0.50000000000000 0.30562149804617 15.999 > 17 52 O 0.59630449138948 0.50000000000000 0.69437850195383 15.999 > 18 53 O 0.24058857001778 0.36387725730834 0.13223250834910 15.999 > 19 54 O 0.75941142998222 0.36387725730834 0.86776749165090 15.999 > 20 55 O 0.75941142998222 0.63612274269166 0.86776749165090 15.999 > 21 56 O 0.24058857001778 0.63612274269166 0.13223250834910 15.999 > 22 57 O 0.91698725870589 0.74415985751335 0.27074813390746 15.999 > 23 58 O 0.08301274129411 0.74415985751335 0.72925186609254 15.999 > 24 59 O 0.08301274129411 0.25584014248665 0.72925186609254 15.999 > 25 60 O 0.91698725870589 0.25584014248665 0.27074813390746 15.999 > 26 61 O 0.86421348746665 0.14406640481000 0.73968065287258 15.999 > 27 62 O 0.13578651253335 0.14406640481000 0.26031934712742 15.999 > 28 63 O 0.13578651253335 0.85593359519000 0.26031934712742 15.999 > 29 64 O 0.86421348746665 0.85593359519000 0.73968065287258 15.999 > 30 65 O 0.93045821674486 0.38565096869036 0.75753891405997 15.999 > 31 66 O 0.06954178325514 0.38565096869036 0.24246108594003 15.999 > 32 67 O 0.06954178325514 0.61434903130964 0.24246108594003 15.999 > 33 68 O 0.93045821674486 0.61434903130964 0.75753891405997 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.602406090022319 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726522490000001 0.000000000000000 c -3.327990517885440 0.000000000000000 9.685505048996285 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 1 *3 Pb 0.27557061469538 0.00000000000000 0.10853260839810 207.200 > 2 4 Pb 0.27557061469538 0.00000000000000 0.60853260839810 207.200 > 2 5 Pb 0.72442938530462 0.00000000000000 0.39146739160190 207.200 > 3 6 Pb 0.72442938530462 0.00000000000000 0.89146739160190 207.200 > 3 7 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 8 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 1 9 Pb 0.77557061469538 0.50000000000000 0.10853260839810 207.200 > 2 10 Pb 0.77557061469538 0.50000000000000 0.60853260839810 207.200 > 2 11 Pb 0.22442938530462 0.50000000000000 0.39146739160190 207.200 > 3 12 Pb 0.22442938530462 0.50000000000000 0.89146739160190 207.200 > 3 *13 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 4 14 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 4 15 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 4 16 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 4 *17 Ga 0.50000000000000 0.86711015098110 0.25000000000000 69.723 > 5 18 Ga 0.50000000000000 0.86711015098110 0.75000000000000 69.723 > 5 19 Ga 0.50000000000000 0.13288984901890 0.25000000000000 69.723 > 6 20 Ga 0.50000000000000 0.13288984901890 0.75000000000000 69.723 > 6 *21 Ga 0.85735221129740 0.86384073953431 0.18789205955075 69.723 > 7 22 Ga 0.85735221129740 0.86384073953431 0.68789205955075 69.723 > 7 23 Ga 0.14264778870260 0.86384073953431 0.31210794044925 69.723 > 8 24 Ga 0.14264778870260 0.86384073953431 0.81210794044925 69.723 > 8 25 Ga 0.14264778870260 0.13615926046569 0.31210794044925 69.723 > 9 26 Ga 0.14264778870260 0.13615926046569 0.81210794044925 69.723 > 9 27 Ga 0.85735221129740 0.13615926046569 0.18789205955075 69.723 > 10 28 Ga 0.85735221129740 0.13615926046569 0.68789205955075 69.723 > 10 *29 Ga 0.63569741517671 0.78609331677567 0.05264458719995 69.723 > 11 30 Ga 0.63569741517671 0.78609331677567 0.55264458719995 69.723 > 11 31 Ga 0.36430258482329 0.78609331677567 0.44735541280005 69.723 > 12 32 Ga 0.36430258482329 0.78609331677567 0.94735541280005 69.723 > 12 33 Ga 0.36430258482329 0.21390668322433 0.44735541280005 69.723 > 13 34 Ga 0.36430258482329 0.21390668322433 0.94735541280005 69.723 > 13 35 Ga 0.63569741517671 0.21390668322433 0.05264458719995 69.723 > 14 36 Ga 0.63569741517671 0.21390668322433 0.55264458719995 69.723 > 14 37 Ga 0.00000000000000 0.36711015098110 0.25000000000000 69.723 > 5 38 Ga 0.00000000000000 0.36711015098110 0.75000000000000 69.723 > 5 39 Ga 0.00000000000000 0.63288984901890 0.25000000000000 69.723 > 6 40 Ga 0.00000000000000 0.63288984901890 0.75000000000000 69.723 > 6 41 Ga 0.35735221129740 0.36384073953431 0.18789205955075 69.723 > 7 42 Ga 0.35735221129740 0.36384073953431 0.68789205955075 69.723 > 7 43 Ga 0.64264778870260 0.36384073953431 0.31210794044925 69.723 > 8 44 Ga 0.64264778870260 0.36384073953431 0.81210794044925 69.723 > 8 45 Ga 0.64264778870260 0.63615926046569 0.31210794044925 69.723 > 9 46 Ga 0.64264778870260 0.63615926046569 0.81210794044925 69.723 > 9 47 Ga 0.35735221129740 0.63615926046569 0.18789205955075 69.723 > 10 48 Ga 0.35735221129740 0.63615926046569 0.68789205955075 69.723 > 10 49 Ga 0.13569741517671 0.28609331677567 0.05264458719995 69.723 > 11 50 Ga 0.13569741517671 0.28609331677567 0.55264458719995 69.723 > 11 51 Ga 0.86430258482329 0.28609331677567 0.44735541280005 69.723 > 12 52 Ga 0.86430258482329 0.28609331677567 0.94735541280005 69.723 > 12 53 Ga 0.86430258482329 0.71390668322433 0.44735541280005 69.723 > 13 54 Ga 0.86430258482329 0.71390668322433 0.94735541280005 69.723 > 13 55 Ga 0.13569741517671 0.71390668322433 0.05264458719995 69.723 > 14 56 Ga 0.13569741517671 0.71390668322433 0.55264458719995 69.723 > 14 *57 O 0.43271010462866 0.00000000000000 0.12541702944747 15.999 > 15 58 O 0.43271010462866 0.00000000000000 0.62541702944747 15.999 > 15 59 O 0.56728989537134 0.00000000000000 0.37458297055253 15.999 > 16 60 O 0.56728989537134 0.00000000000000 0.87458297055253 15.999 > 16 *61 O 0.90369550861052 0.00000000000000 0.15281074902308 15.999 > 17 62 O 0.90369550861052 0.00000000000000 0.65281074902308 15.999 > 17 63 O 0.09630449138948 0.00000000000000 0.34718925097692 15.999 > 18 64 O 0.09630449138948 0.00000000000000 0.84718925097692 15.999 > 18 *65 O 0.74058857001778 0.86387725730834 0.06611625417455 15.999 > 19 66 O 0.74058857001778 0.86387725730834 0.56611625417455 15.999 > 19 67 O 0.25941142998222 0.86387725730834 0.43388374582545 15.999 > 20 68 O 0.25941142998222 0.86387725730834 0.93388374582545 15.999 > 20 69 O 0.25941142998222 0.13612274269166 0.43388374582545 15.999 > 21 70 O 0.25941142998222 0.13612274269166 0.93388374582545 15.999 > 21 71 O 0.74058857001778 0.13612274269166 0.06611625417455 15.999 > 22 72 O 0.74058857001778 0.13612274269166 0.56611625417455 15.999 > 22 *73 O 0.41698725870589 0.24415985751335 0.13537406695373 15.999 > 23 74 O 0.41698725870589 0.24415985751335 0.63537406695373 15.999 > 23 75 O 0.58301274129411 0.24415985751335 0.36462593304627 15.999 > 24 76 O 0.58301274129411 0.24415985751335 0.86462593304627 15.999 > 24 77 O 0.58301274129411 0.75584014248665 0.36462593304627 15.999 > 25 78 O 0.58301274129411 0.75584014248665 0.86462593304627 15.999 > 25 79 O 0.41698725870589 0.75584014248665 0.13537406695373 15.999 > 26 80 O 0.41698725870589 0.75584014248665 0.63537406695373 15.999 > 26 *81 O 0.36421348746665 0.64406640481000 0.36984032643629 15.999 > 27 82 O 0.36421348746665 0.64406640481000 0.86984032643629 15.999 > 27 83 O 0.63578651253335 0.64406640481000 0.13015967356371 15.999 > 28 84 O 0.63578651253335 0.64406640481000 0.63015967356371 15.999 > 28 85 O 0.63578651253335 0.35593359519000 0.13015967356371 15.999 > 29 86 O 0.63578651253335 0.35593359519000 0.63015967356371 15.999 > 29 87 O 0.36421348746665 0.35593359519000 0.36984032643629 15.999 > 30 88 O 0.36421348746665 0.35593359519000 0.86984032643629 15.999 > 30 *89 O 0.43045821674486 0.88565096869036 0.37876945702999 15.999 > 31 90 O 0.43045821674486 0.88565096869036 0.87876945702999 15.999 > 31 91 O 0.56954178325514 0.88565096869036 0.12123054297001 15.999 > 32 92 O 0.56954178325514 0.88565096869036 0.62123054297001 15.999 > 32 93 O 0.56954178325514 0.11434903130964 0.12123054297001 15.999 > 33 94 O 0.56954178325514 0.11434903130964 0.62123054297001 15.999 > 33 95 O 0.43045821674486 0.11434903130964 0.37876945702999 15.999 > 34 96 O 0.43045821674486 0.11434903130964 0.87876945702999 15.999 > 34 97 O 0.93271010462866 0.50000000000000 0.12541702944747 15.999 > 15 98 O 0.93271010462866 0.50000000000000 0.62541702944747 15.999 > 15 99 O 0.06728989537134 0.50000000000000 0.37458297055253 15.999 > 16 100 O 0.06728989537134 0.50000000000000 0.87458297055253 15.999 > 16 101 O 0.40369550861052 0.50000000000000 0.15281074902308 15.999 > 17 102 O 0.40369550861052 0.50000000000000 0.65281074902308 15.999 > 17 103 O 0.59630449138948 0.50000000000000 0.34718925097692 15.999 > 18 104 O 0.59630449138948 0.50000000000000 0.84718925097692 15.999 > 18 105 O 0.24058857001778 0.36387725730834 0.06611625417455 15.999 > 19 106 O 0.24058857001778 0.36387725730834 0.56611625417455 15.999 > 19 107 O 0.75941142998222 0.36387725730834 0.43388374582545 15.999 > 20 108 O 0.75941142998222 0.36387725730834 0.93388374582545 15.999 > 20 109 O 0.75941142998222 0.63612274269166 0.43388374582545 15.999 > 21 110 O 0.75941142998222 0.63612274269166 0.93388374582545 15.999 > 21 111 O 0.24058857001778 0.63612274269166 0.06611625417455 15.999 > 22 112 O 0.24058857001778 0.63612274269166 0.56611625417455 15.999 > 22 113 O 0.91698725870589 0.74415985751335 0.13537406695373 15.999 > 23 114 O 0.91698725870589 0.74415985751335 0.63537406695373 15.999 > 23 115 O 0.08301274129411 0.74415985751335 0.36462593304627 15.999 > 24 116 O 0.08301274129411 0.74415985751335 0.86462593304627 15.999 > 24 117 O 0.08301274129411 0.25584014248665 0.36462593304627 15.999 > 25 118 O 0.08301274129411 0.25584014248665 0.86462593304627 15.999 > 25 119 O 0.91698725870589 0.25584014248665 0.13537406695373 15.999 > 26 120 O 0.91698725870589 0.25584014248665 0.63537406695373 15.999 > 26 121 O 0.86421348746665 0.14406640481000 0.36984032643629 15.999 > 27 122 O 0.86421348746665 0.14406640481000 0.86984032643629 15.999 > 27 123 O 0.13578651253335 0.14406640481000 0.13015967356371 15.999 > 28 124 O 0.13578651253335 0.14406640481000 0.63015967356371 15.999 > 28 125 O 0.13578651253335 0.85593359519000 0.13015967356371 15.999 > 29 126 O 0.13578651253335 0.85593359519000 0.63015967356371 15.999 > 29 127 O 0.86421348746665 0.85593359519000 0.36984032643629 15.999 > 30 128 O 0.86421348746665 0.85593359519000 0.86984032643629 15.999 > 30 129 O 0.93045821674486 0.38565096869036 0.37876945702999 15.999 > 31 130 O 0.93045821674486 0.38565096869036 0.87876945702999 15.999 > 31 131 O 0.06954178325514 0.38565096869036 0.12123054297001 15.999 > 32 132 O 0.06954178325514 0.38565096869036 0.62123054297001 15.999 > 32 133 O 0.06954178325514 0.61434903130964 0.12123054297001 15.999 > 33 134 O 0.06954178325514 0.61434903130964 0.62123054297001 15.999 > 33 135 O 0.93045821674486 0.61434903130964 0.37876945702999 15.999 > 34 136 O 0.93045821674486 0.61434903130964 0.87876945702999 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3392482 0.0000000 -0.0536195 0.0000000 4.2017248 0.0000000 -0.0535946 0.0000000 4.2057413 -------------------------- Born effective charges -------------------------- 1 Pb 4.4447900 0.0000000 -0.1753137 0.0000000 2.5236488 0.0000000 -0.0703505 0.0000000 3.0355294 2 Pb 3.5252623 0.0000000 -0.0306393 0.0000000 2.7123492 0.0000000 -0.0058644 0.0000000 2.7389286 3 Pb 3.5252623 0.0000000 -0.0306393 0.0000000 2.7123492 0.0000000 -0.0058644 0.0000000 2.7389286 4 Ge 3.6856139 0.0000000 -0.3875754 0.0000000 4.0372057 0.0000000 -0.1092998 0.0000000 4.0839605 5 Ga 3.0713077 0.0000000 0.1134503 0.0000000 3.3165097 0.0000000 -0.0180072 0.0000000 3.5927519 6 Ga 3.0713077 0.0000000 0.1134503 0.0000000 3.3165097 0.0000000 -0.0180072 0.0000000 3.5927519 7 Ga 2.5389338 -0.0890374 0.0993765 -0.2059304 2.7499255 0.0143160 -0.0504272 -0.0202037 3.1109112 8 Ga 2.5389338 0.0890374 0.0993765 0.2059304 2.7499255 -0.0143160 -0.0504272 0.0202037 3.1109112 9 Ga 2.5389338 -0.0890374 0.0993765 -0.2059304 2.7499255 0.0143160 -0.0504272 -0.0202037 3.1109112 10 Ga 2.5389338 0.0890374 0.0993765 0.2059304 2.7499255 -0.0143160 -0.0504272 0.0202037 3.1109112 11 Ga 2.8869644 0.0187526 -0.3251701 0.1634250 3.2623481 0.0204601 -0.1922900 -0.0121486 2.5060064 12 Ga 2.8869644 -0.0187526 -0.3251701 -0.1634250 3.2623481 -0.0204601 -0.1922900 0.0121486 2.5060064 13 Ga 2.8869644 0.0187526 -0.3251701 0.1634250 3.2623481 0.0204601 -0.1922900 -0.0121486 2.5060064 14 Ga 2.8869644 -0.0187526 -0.3251701 -0.1634250 3.2623481 -0.0204601 -0.1922900 0.0121486 2.5060064 15 O -2.9283095 0.0000000 0.2258785 0.0000000 -1.9611435 0.0000000 0.0283919 0.0000000 -2.0106868 16 O -2.9283095 0.0000000 0.2258785 0.0000000 -1.9611435 0.0000000 0.0283919 0.0000000 -2.0106868 17 O -2.2517939 0.0000000 0.4419740 0.0000000 -2.1999158 0.0000000 0.4922684 0.0000000 -1.9680148 18 O -2.2517939 0.0000000 0.4419740 0.0000000 -2.1999158 0.0000000 0.4922684 0.0000000 -1.9680148 19 O -2.3540073 -0.4138243 -0.2775651 -0.3841374 -1.9575252 0.5101915 -0.2557541 0.3920549 -1.9930963 20 O -2.3540073 0.4138243 -0.2775651 0.3841374 -1.9575252 -0.5101915 -0.2557541 -0.3920549 -1.9930963 21 O -2.3540073 -0.4138243 -0.2775651 -0.3841374 -1.9575252 0.5101915 -0.2557541 0.3920549 -1.9930963 22 O -2.3540073 0.4138243 -0.2775651 0.3841374 -1.9575252 -0.5101915 -0.2557541 -0.3920549 -1.9930963 23 O -1.6940123 0.5712406 -0.1230728 0.5384192 -2.2315151 -0.0515862 -0.1173115 -0.0020993 -2.2337954 24 O -1.6940123 -0.5712406 -0.1230728 -0.5384192 -2.2315151 0.0515862 -0.1173115 0.0020993 -2.2337954 25 O -1.6940123 0.5712406 -0.1230728 0.5384192 -2.2315151 -0.0515862 -0.1173115 -0.0020993 -2.2337954 26 O -1.6940123 -0.5712406 -0.1230728 -0.5384192 -2.2315151 0.0515862 -0.1173115 0.0020993 -2.2337954 27 O -1.9101259 0.0865071 0.1037348 0.1896902 -2.3640694 -0.1478417 0.1986308 -0.1136935 -2.2706267 28 O -1.9101259 -0.0865071 0.1037348 -0.1896902 -2.3640694 0.1478417 0.1986308 0.1136935 -2.2706267 29 O -1.9101259 0.0865071 0.1037348 0.1896902 -2.3640694 -0.1478417 0.1986308 -0.1136935 -2.2706267 30 O -1.9101259 -0.0865071 0.1037348 -0.1896902 -2.3640694 0.1478417 0.1986308 0.1136935 -2.2706267 31 O -2.2085870 -0.5805714 0.2880872 -0.4136589 -2.0332773 -0.1733124 0.2136700 -0.1640350 -2.0757611 32 O -2.2085870 0.5805714 0.2880872 0.4136589 -2.0332773 0.1733124 0.2136700 0.1640350 -2.0757611 33 O -2.2085870 -0.5805714 0.2880872 -0.4136589 -2.0332773 -0.1733124 0.2136700 -0.1640350 -2.0757611 34 O -2.2085870 0.5805714 0.2880872 0.4136589 -2.0332773 0.1733124 0.2136700 0.1640350 -2.0757611 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25500/25500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5460 Number of blocks in projector: 5460 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: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1232 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1232 / 1232 (1) 225 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 240 eigenvectors found. (2) Block: 588 / 588 (2) 79 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 240 eigenvectors found. (2) Block: 588 / 588 (2) 79 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5460, 5377), data: False |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1088, 1076), data: False |-- (1088, 12), data: (1088, 24) @ (24, 12) |-- (588, 576), data: False |-- (588, 19), data: (588, 31) @ (31, 19) |-- (88, 79), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1088, 1076), data: False |-- (1088, 12), data: (1088, 24) @ (24, 12) |-- (588, 576), data: False |-- (588, 19), data: (588, 31) @ (31, 19) |-- (88, 79), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1232, 1209), data: False |-- (1232, 22), data: (1232, 45) @ (45, 22) |-- (232, 225), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.679 Solver_block: 200 / 1040 - Time: 1.480 Solver_block: 300 / 1040 - Time: 1.498 Solver_block: 400 / 1040 - Time: 1.491 Solver_block: 500 / 1040 - Time: 1.491 Solver_block: 600 / 1040 - Time: 1.491 Solver_block: 700 / 1040 - Time: 1.494 Solver_block: 800 / 1040 - Time: 1.484 Solver_block: 900 / 1040 - Time: 1.489 Solver_block: 1000 / 1040 - Time: 1.489 Solver_block: 1040 / 1040 - Time: 0.756 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.287 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 25500/25500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5460 Number of blocks in projector: 5460 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: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1232 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1232 / 1232 (1) 225 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 240 eigenvectors found. (2) Block: 588 / 588 (2) 79 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 240 eigenvectors found. (2) Block: 588 / 588 (2) 79 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5460, 5377), data: False |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1088, 1076), data: False |-- (1088, 12), data: (1088, 24) @ (24, 12) |-- (588, 576), data: False |-- (588, 19), data: (588, 31) @ (31, 19) |-- (88, 79), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1088, 1076), data: False |-- (1088, 12), data: (1088, 24) @ (24, 12) |-- (588, 576), data: False |-- (588, 19), data: (588, 31) @ (31, 19) |-- (88, 79), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1232, 1209), data: False |-- (1232, 22), data: (1232, 45) @ (45, 22) |-- (232, 225), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:35:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:35:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.801203045011159 -5.863261245000000 0.000000000000000 b 7.801203045011159 5.863261245000000 0.000000000000000 c -1.663995258942720 0.000000000000000 4.842752524498143 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 2 Pb 0.27557061469538 0.27557061469538 0.21706521679619 207.200 3 Pb 0.72442938530462 0.72442938530462 0.78293478320381 207.200 4 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 5 Ga 0.63288984901890 0.36711015098110 0.50000000000000 69.723 6 Ga 0.36711015098110 0.63288984901890 0.50000000000000 69.723 7 Ga 0.99351147176309 0.72119295083172 0.37578411910151 69.723 8 Ga 0.27880704916828 0.00648852823691 0.62421588089849 69.723 9 Ga 0.00648852823691 0.27880704916828 0.62421588089849 69.723 10 Ga 0.72119295083172 0.99351147176309 0.37578411910151 69.723 11 Ga 0.84960409840103 0.42179073195238 0.10528917439989 69.723 12 Ga 0.57820926804762 0.15039590159897 0.89471082560011 69.723 13 Ga 0.15039590159897 0.57820926804762 0.89471082560011 69.723 14 Ga 0.42179073195238 0.84960409840103 0.10528917439989 69.723 15 O 0.43271010462866 0.43271010462866 0.25083405889494 15.999 16 O 0.56728989537134 0.56728989537134 0.74916594110506 15.999 17 O 0.90369550861052 0.90369550861052 0.30562149804617 15.999 18 O 0.09630449138948 0.09630449138948 0.69437850195383 15.999 19 O 0.87671131270944 0.60446582732612 0.13223250834910 15.999 20 O 0.39553417267388 0.12328868729056 0.86776749165090 15.999 21 O 0.12328868729056 0.39553417267388 0.86776749165090 15.999 22 O 0.60446582732612 0.87671131270944 0.13223250834910 15.999 23 O 0.17282740119254 0.66114711621924 0.27074813390746 15.999 24 O 0.33885288378076 0.82717259880746 0.72925186609254 15.999 25 O 0.82717259880746 0.33885288378076 0.72925186609254 15.999 26 O 0.66114711621924 0.17282740119254 0.27074813390746 15.999 27 O 0.72014708265665 0.00827989227665 0.73968065287258 15.999 28 O 0.99172010772335 0.27985291734335 0.26031934712742 15.999 29 O 0.27985291734335 0.99172010772335 0.26031934712742 15.999 30 O 0.00827989227665 0.72014708265665 0.73968065287258 15.999 31 O 0.54480724805450 0.31610918543522 0.75753891405997 15.999 32 O 0.68389081456478 0.45519275194550 0.24246108594003 15.999 33 O 0.45519275194550 0.68389081456478 0.24246108594003 15.999 34 O 0.31610918543522 0.54480724805450 0.75753891405997 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.602406090022319 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726522490000001 0.000000000000000 c -3.327990517885440 0.000000000000000 9.685505048996285 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 1 3 Pb 0.27557061469538 0.00000000000000 0.10853260839810 207.200 > 3 4 Pb 0.27557061469538 0.00000000000000 0.60853260839810 207.200 > 3 5 Pb 0.72442938530462 0.00000000000000 0.39146739160190 207.200 > 5 6 Pb 0.72442938530462 0.00000000000000 0.89146739160190 207.200 > 5 7 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 8 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 1 9 Pb 0.77557061469538 0.50000000000000 0.10853260839810 207.200 > 3 10 Pb 0.77557061469538 0.50000000000000 0.60853260839810 207.200 > 3 11 Pb 0.22442938530462 0.50000000000000 0.39146739160190 207.200 > 5 12 Pb 0.22442938530462 0.50000000000000 0.89146739160190 207.200 > 5 13 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 13 14 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 13 15 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 13 16 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 13 17 Ga 0.50000000000000 0.86711015098110 0.25000000000000 69.723 > 17 18 Ga 0.50000000000000 0.86711015098110 0.75000000000000 69.723 > 17 19 Ga 0.50000000000000 0.13288984901890 0.25000000000000 69.723 > 19 20 Ga 0.50000000000000 0.13288984901890 0.75000000000000 69.723 > 19 21 Ga 0.85735221129740 0.86384073953431 0.18789205955075 69.723 > 21 22 Ga 0.85735221129740 0.86384073953431 0.68789205955075 69.723 > 21 23 Ga 0.14264778870260 0.86384073953431 0.31210794044925 69.723 > 23 24 Ga 0.14264778870260 0.86384073953431 0.81210794044925 69.723 > 23 25 Ga 0.14264778870260 0.13615926046569 0.31210794044925 69.723 > 25 26 Ga 0.14264778870260 0.13615926046569 0.81210794044925 69.723 > 25 27 Ga 0.85735221129740 0.13615926046569 0.18789205955075 69.723 > 27 28 Ga 0.85735221129740 0.13615926046569 0.68789205955075 69.723 > 27 29 Ga 0.63569741517671 0.78609331677567 0.05264458719995 69.723 > 29 30 Ga 0.63569741517671 0.78609331677567 0.55264458719995 69.723 > 29 31 Ga 0.36430258482329 0.78609331677567 0.44735541280005 69.723 > 31 32 Ga 0.36430258482329 0.78609331677567 0.94735541280005 69.723 > 31 33 Ga 0.36430258482329 0.21390668322433 0.44735541280005 69.723 > 33 34 Ga 0.36430258482329 0.21390668322433 0.94735541280005 69.723 > 33 35 Ga 0.63569741517671 0.21390668322433 0.05264458719995 69.723 > 35 36 Ga 0.63569741517671 0.21390668322433 0.55264458719995 69.723 > 35 37 Ga 0.00000000000000 0.36711015098110 0.25000000000000 69.723 > 17 38 Ga 0.00000000000000 0.36711015098110 0.75000000000000 69.723 > 17 39 Ga 0.00000000000000 0.63288984901890 0.25000000000000 69.723 > 19 40 Ga 0.00000000000000 0.63288984901890 0.75000000000000 69.723 > 19 41 Ga 0.35735221129740 0.36384073953431 0.18789205955075 69.723 > 21 42 Ga 0.35735221129740 0.36384073953431 0.68789205955075 69.723 > 21 43 Ga 0.64264778870260 0.36384073953431 0.31210794044925 69.723 > 23 44 Ga 0.64264778870260 0.36384073953431 0.81210794044925 69.723 > 23 45 Ga 0.64264778870260 0.63615926046569 0.31210794044925 69.723 > 25 46 Ga 0.64264778870260 0.63615926046569 0.81210794044925 69.723 > 25 47 Ga 0.35735221129740 0.63615926046569 0.18789205955075 69.723 > 27 48 Ga 0.35735221129740 0.63615926046569 0.68789205955075 69.723 > 27 49 Ga 0.13569741517671 0.28609331677567 0.05264458719995 69.723 > 29 50 Ga 0.13569741517671 0.28609331677567 0.55264458719995 69.723 > 29 51 Ga 0.86430258482329 0.28609331677567 0.44735541280005 69.723 > 31 52 Ga 0.86430258482329 0.28609331677567 0.94735541280005 69.723 > 31 53 Ga 0.86430258482329 0.71390668322433 0.44735541280005 69.723 > 33 54 Ga 0.86430258482329 0.71390668322433 0.94735541280005 69.723 > 33 55 Ga 0.13569741517671 0.71390668322433 0.05264458719995 69.723 > 35 56 Ga 0.13569741517671 0.71390668322433 0.55264458719995 69.723 > 35 57 O 0.43271010462866 0.00000000000000 0.12541702944747 15.999 > 57 58 O 0.43271010462866 0.00000000000000 0.62541702944747 15.999 > 57 59 O 0.56728989537134 0.00000000000000 0.37458297055253 15.999 > 59 60 O 0.56728989537134 0.00000000000000 0.87458297055253 15.999 > 59 61 O 0.90369550861052 0.00000000000000 0.15281074902308 15.999 > 61 62 O 0.90369550861052 0.00000000000000 0.65281074902308 15.999 > 61 63 O 0.09630449138948 0.00000000000000 0.34718925097692 15.999 > 63 64 O 0.09630449138948 0.00000000000000 0.84718925097692 15.999 > 63 65 O 0.74058857001778 0.86387725730834 0.06611625417455 15.999 > 65 66 O 0.74058857001778 0.86387725730834 0.56611625417455 15.999 > 65 67 O 0.25941142998222 0.86387725730834 0.43388374582545 15.999 > 67 68 O 0.25941142998222 0.86387725730834 0.93388374582545 15.999 > 67 69 O 0.25941142998222 0.13612274269166 0.43388374582545 15.999 > 69 70 O 0.25941142998222 0.13612274269166 0.93388374582545 15.999 > 69 71 O 0.74058857001778 0.13612274269166 0.06611625417455 15.999 > 71 72 O 0.74058857001778 0.13612274269166 0.56611625417455 15.999 > 71 73 O 0.41698725870589 0.24415985751335 0.13537406695373 15.999 > 73 74 O 0.41698725870589 0.24415985751335 0.63537406695373 15.999 > 73 75 O 0.58301274129411 0.24415985751335 0.36462593304627 15.999 > 75 76 O 0.58301274129411 0.24415985751335 0.86462593304627 15.999 > 75 77 O 0.58301274129411 0.75584014248665 0.36462593304627 15.999 > 77 78 O 0.58301274129411 0.75584014248665 0.86462593304627 15.999 > 77 79 O 0.41698725870589 0.75584014248665 0.13537406695373 15.999 > 79 80 O 0.41698725870589 0.75584014248665 0.63537406695373 15.999 > 79 81 O 0.36421348746665 0.64406640481000 0.36984032643629 15.999 > 81 82 O 0.36421348746665 0.64406640481000 0.86984032643629 15.999 > 81 83 O 0.63578651253335 0.64406640481000 0.13015967356371 15.999 > 83 84 O 0.63578651253335 0.64406640481000 0.63015967356371 15.999 > 83 85 O 0.63578651253335 0.35593359519000 0.13015967356371 15.999 > 85 86 O 0.63578651253335 0.35593359519000 0.63015967356371 15.999 > 85 87 O 0.36421348746665 0.35593359519000 0.36984032643629 15.999 > 87 88 O 0.36421348746665 0.35593359519000 0.86984032643629 15.999 > 87 89 O 0.43045821674486 0.88565096869036 0.37876945702999 15.999 > 89 90 O 0.43045821674486 0.88565096869036 0.87876945702999 15.999 > 89 91 O 0.56954178325514 0.88565096869036 0.12123054297001 15.999 > 91 92 O 0.56954178325514 0.88565096869036 0.62123054297001 15.999 > 91 93 O 0.56954178325514 0.11434903130964 0.12123054297001 15.999 > 93 94 O 0.56954178325514 0.11434903130964 0.62123054297001 15.999 > 93 95 O 0.43045821674486 0.11434903130964 0.37876945702999 15.999 > 95 96 O 0.43045821674486 0.11434903130964 0.87876945702999 15.999 > 95 97 O 0.93271010462866 0.50000000000000 0.12541702944747 15.999 > 57 98 O 0.93271010462866 0.50000000000000 0.62541702944747 15.999 > 57 99 O 0.06728989537134 0.50000000000000 0.37458297055253 15.999 > 59 100 O 0.06728989537134 0.50000000000000 0.87458297055253 15.999 > 59 101 O 0.40369550861052 0.50000000000000 0.15281074902308 15.999 > 61 102 O 0.40369550861052 0.50000000000000 0.65281074902308 15.999 > 61 103 O 0.59630449138948 0.50000000000000 0.34718925097692 15.999 > 63 104 O 0.59630449138948 0.50000000000000 0.84718925097692 15.999 > 63 105 O 0.24058857001778 0.36387725730834 0.06611625417455 15.999 > 65 106 O 0.24058857001778 0.36387725730834 0.56611625417455 15.999 > 65 107 O 0.75941142998222 0.36387725730834 0.43388374582545 15.999 > 67 108 O 0.75941142998222 0.36387725730834 0.93388374582545 15.999 > 67 109 O 0.75941142998222 0.63612274269166 0.43388374582545 15.999 > 69 110 O 0.75941142998222 0.63612274269166 0.93388374582545 15.999 > 69 111 O 0.24058857001778 0.63612274269166 0.06611625417455 15.999 > 71 112 O 0.24058857001778 0.63612274269166 0.56611625417455 15.999 > 71 113 O 0.91698725870589 0.74415985751335 0.13537406695373 15.999 > 73 114 O 0.91698725870589 0.74415985751335 0.63537406695373 15.999 > 73 115 O 0.08301274129411 0.74415985751335 0.36462593304627 15.999 > 75 116 O 0.08301274129411 0.74415985751335 0.86462593304627 15.999 > 75 117 O 0.08301274129411 0.25584014248665 0.36462593304627 15.999 > 77 118 O 0.08301274129411 0.25584014248665 0.86462593304627 15.999 > 77 119 O 0.91698725870589 0.25584014248665 0.13537406695373 15.999 > 79 120 O 0.91698725870589 0.25584014248665 0.63537406695373 15.999 > 79 121 O 0.86421348746665 0.14406640481000 0.36984032643629 15.999 > 81 122 O 0.86421348746665 0.14406640481000 0.86984032643629 15.999 > 81 123 O 0.13578651253335 0.14406640481000 0.13015967356371 15.999 > 83 124 O 0.13578651253335 0.14406640481000 0.63015967356371 15.999 > 83 125 O 0.13578651253335 0.85593359519000 0.13015967356371 15.999 > 85 126 O 0.13578651253335 0.85593359519000 0.63015967356371 15.999 > 85 127 O 0.86421348746665 0.85593359519000 0.36984032643629 15.999 > 87 128 O 0.86421348746665 0.85593359519000 0.86984032643629 15.999 > 87 129 O 0.93045821674486 0.38565096869036 0.37876945702999 15.999 > 89 130 O 0.93045821674486 0.38565096869036 0.87876945702999 15.999 > 89 131 O 0.06954178325514 0.38565096869036 0.12123054297001 15.999 > 91 132 O 0.06954178325514 0.38565096869036 0.62123054297001 15.999 > 91 133 O 0.06954178325514 0.61434903130964 0.12123054297001 15.999 > 93 134 O 0.06954178325514 0.61434903130964 0.62123054297001 15.999 > 93 135 O 0.93045821674486 0.61434903130964 0.37876945702999 15.999 > 95 136 O 0.93045821674486 0.61434903130964 0.87876945702999 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3392482 0.0000000 -0.0536195 0.0000000 4.2017248 0.0000000 -0.0535946 0.0000000 4.2057413 -------------------------- Born effective charges -------------------------- 1 Pb 4.4447900 0.0000000 -0.1753137 0.0000000 2.5236488 0.0000000 -0.0703505 0.0000000 3.0355294 2 Pb 3.5252623 0.0000000 -0.0306393 0.0000000 2.7123492 0.0000000 -0.0058644 0.0000000 2.7389286 3 Pb 3.5252623 0.0000000 -0.0306393 0.0000000 2.7123492 0.0000000 -0.0058644 0.0000000 2.7389286 4 Ge 3.6856139 0.0000000 -0.3875754 0.0000000 4.0372057 0.0000000 -0.1092998 0.0000000 4.0839605 5 Ga 3.0713077 0.0000000 0.1134503 0.0000000 3.3165097 0.0000000 -0.0180072 0.0000000 3.5927519 6 Ga 3.0713077 0.0000000 0.1134503 0.0000000 3.3165097 0.0000000 -0.0180072 0.0000000 3.5927519 7 Ga 2.5389338 -0.0890374 0.0993765 -0.2059304 2.7499255 0.0143160 -0.0504272 -0.0202037 3.1109112 8 Ga 2.5389338 0.0890374 0.0993765 0.2059304 2.7499255 -0.0143160 -0.0504272 0.0202037 3.1109112 9 Ga 2.5389338 -0.0890374 0.0993765 -0.2059304 2.7499255 0.0143160 -0.0504272 -0.0202037 3.1109112 10 Ga 2.5389338 0.0890374 0.0993765 0.2059304 2.7499255 -0.0143160 -0.0504272 0.0202037 3.1109112 11 Ga 2.8869644 0.0187526 -0.3251701 0.1634250 3.2623481 0.0204601 -0.1922900 -0.0121486 2.5060064 12 Ga 2.8869644 -0.0187526 -0.3251701 -0.1634250 3.2623481 -0.0204601 -0.1922900 0.0121486 2.5060064 13 Ga 2.8869644 0.0187526 -0.3251701 0.1634250 3.2623481 0.0204601 -0.1922900 -0.0121486 2.5060064 14 Ga 2.8869644 -0.0187526 -0.3251701 -0.1634250 3.2623481 -0.0204601 -0.1922900 0.0121486 2.5060064 15 O -2.9283095 0.0000000 0.2258785 0.0000000 -1.9611435 0.0000000 0.0283919 0.0000000 -2.0106868 16 O -2.9283095 0.0000000 0.2258785 0.0000000 -1.9611435 0.0000000 0.0283919 0.0000000 -2.0106868 17 O -2.2517939 0.0000000 0.4419740 0.0000000 -2.1999158 0.0000000 0.4922684 0.0000000 -1.9680148 18 O -2.2517939 0.0000000 0.4419740 0.0000000 -2.1999158 0.0000000 0.4922684 0.0000000 -1.9680148 19 O -2.3540073 -0.4138243 -0.2775651 -0.3841374 -1.9575252 0.5101915 -0.2557541 0.3920549 -1.9930963 20 O -2.3540073 0.4138243 -0.2775651 0.3841374 -1.9575252 -0.5101915 -0.2557541 -0.3920549 -1.9930963 21 O -2.3540073 -0.4138243 -0.2775651 -0.3841374 -1.9575252 0.5101915 -0.2557541 0.3920549 -1.9930963 22 O -2.3540073 0.4138243 -0.2775651 0.3841374 -1.9575252 -0.5101915 -0.2557541 -0.3920549 -1.9930963 23 O -1.6940123 0.5712406 -0.1230728 0.5384192 -2.2315151 -0.0515862 -0.1173115 -0.0020993 -2.2337954 24 O -1.6940123 -0.5712406 -0.1230728 -0.5384192 -2.2315151 0.0515862 -0.1173115 0.0020993 -2.2337954 25 O -1.6940123 0.5712406 -0.1230728 0.5384192 -2.2315151 -0.0515862 -0.1173115 -0.0020993 -2.2337954 26 O -1.6940123 -0.5712406 -0.1230728 -0.5384192 -2.2315151 0.0515862 -0.1173115 0.0020993 -2.2337954 27 O -1.9101259 0.0865071 0.1037348 0.1896902 -2.3640694 -0.1478417 0.1986308 -0.1136935 -2.2706267 28 O -1.9101259 -0.0865071 0.1037348 -0.1896902 -2.3640694 0.1478417 0.1986308 0.1136935 -2.2706267 29 O -1.9101259 0.0865071 0.1037348 0.1896902 -2.3640694 -0.1478417 0.1986308 -0.1136935 -2.2706267 30 O -1.9101259 -0.0865071 0.1037348 -0.1896902 -2.3640694 0.1478417 0.1986308 0.1136935 -2.2706267 31 O -2.2085870 -0.5805714 0.2880872 -0.4136589 -2.0332773 -0.1733124 0.2136700 -0.1640350 -2.0757611 32 O -2.2085870 0.5805714 0.2880872 0.4136589 -2.0332773 0.1733124 0.2136700 0.1640350 -2.0757611 33 O -2.2085870 -0.5805714 0.2880872 -0.4136589 -2.0332773 -0.1733124 0.2136700 -0.1640350 -2.0757611 34 O -2.2085870 0.5805714 0.2880872 0.4136589 -2.0332773 0.1733124 0.2136700 0.1640350 -2.0757611 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 3, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 21, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 29, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000017 (xz) -0.00000017 (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 09:36:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:36:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.801203045011159 -5.863261245000000 0.000000000000000 b 7.801203045011159 5.863261245000000 0.000000000000000 c -1.663995258942720 0.000000000000000 4.842752524498143 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 2 Pb 0.27557061469538 0.27557061469538 0.21706521679619 207.200 3 Pb 0.72442938530462 0.72442938530462 0.78293478320381 207.200 4 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 5 Ga 0.63288984901890 0.36711015098110 0.50000000000000 69.723 6 Ga 0.36711015098110 0.63288984901890 0.50000000000000 69.723 7 Ga 0.99351147176309 0.72119295083172 0.37578411910151 69.723 8 Ga 0.27880704916828 0.00648852823691 0.62421588089849 69.723 9 Ga 0.00648852823691 0.27880704916828 0.62421588089849 69.723 10 Ga 0.72119295083172 0.99351147176309 0.37578411910151 69.723 11 Ga 0.84960409840103 0.42179073195238 0.10528917439989 69.723 12 Ga 0.57820926804762 0.15039590159897 0.89471082560011 69.723 13 Ga 0.15039590159897 0.57820926804762 0.89471082560011 69.723 14 Ga 0.42179073195238 0.84960409840103 0.10528917439989 69.723 15 O 0.43271010462866 0.43271010462866 0.25083405889494 15.999 16 O 0.56728989537134 0.56728989537134 0.74916594110506 15.999 17 O 0.90369550861052 0.90369550861052 0.30562149804617 15.999 18 O 0.09630449138948 0.09630449138948 0.69437850195383 15.999 19 O 0.87671131270944 0.60446582732612 0.13223250834910 15.999 20 O 0.39553417267388 0.12328868729056 0.86776749165090 15.999 21 O 0.12328868729056 0.39553417267388 0.86776749165090 15.999 22 O 0.60446582732612 0.87671131270944 0.13223250834910 15.999 23 O 0.17282740119254 0.66114711621924 0.27074813390746 15.999 24 O 0.33885288378076 0.82717259880746 0.72925186609254 15.999 25 O 0.82717259880746 0.33885288378076 0.72925186609254 15.999 26 O 0.66114711621924 0.17282740119254 0.27074813390746 15.999 27 O 0.72014708265665 0.00827989227665 0.73968065287258 15.999 28 O 0.99172010772335 0.27985291734335 0.26031934712742 15.999 29 O 0.27985291734335 0.99172010772335 0.26031934712742 15.999 30 O 0.00827989227665 0.72014708265665 0.73968065287258 15.999 31 O 0.54480724805450 0.31610918543522 0.75753891405997 15.999 32 O 0.68389081456478 0.45519275194550 0.24246108594003 15.999 33 O 0.45519275194550 0.68389081456478 0.24246108594003 15.999 34 O 0.31610918543522 0.54480724805450 0.75753891405997 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.602406090022319 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726522490000001 0.000000000000000 c -3.327990517885440 0.000000000000000 9.685505048996285 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 1 3 Pb 0.27557061469538 0.00000000000000 0.10853260839810 207.200 > 3 4 Pb 0.27557061469538 0.00000000000000 0.60853260839810 207.200 > 3 5 Pb 0.72442938530462 0.00000000000000 0.39146739160190 207.200 > 5 6 Pb 0.72442938530462 0.00000000000000 0.89146739160190 207.200 > 5 7 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 8 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 1 9 Pb 0.77557061469538 0.50000000000000 0.10853260839810 207.200 > 3 10 Pb 0.77557061469538 0.50000000000000 0.60853260839810 207.200 > 3 11 Pb 0.22442938530462 0.50000000000000 0.39146739160190 207.200 > 5 12 Pb 0.22442938530462 0.50000000000000 0.89146739160190 207.200 > 5 13 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 13 14 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 13 15 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 13 16 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 13 17 Ga 0.50000000000000 0.86711015098110 0.25000000000000 69.723 > 17 18 Ga 0.50000000000000 0.86711015098110 0.75000000000000 69.723 > 17 19 Ga 0.50000000000000 0.13288984901890 0.25000000000000 69.723 > 19 20 Ga 0.50000000000000 0.13288984901890 0.75000000000000 69.723 > 19 21 Ga 0.85735221129740 0.86384073953431 0.18789205955075 69.723 > 21 22 Ga 0.85735221129740 0.86384073953431 0.68789205955075 69.723 > 21 23 Ga 0.14264778870260 0.86384073953431 0.31210794044925 69.723 > 23 24 Ga 0.14264778870260 0.86384073953431 0.81210794044925 69.723 > 23 25 Ga 0.14264778870260 0.13615926046569 0.31210794044925 69.723 > 25 26 Ga 0.14264778870260 0.13615926046569 0.81210794044925 69.723 > 25 27 Ga 0.85735221129740 0.13615926046569 0.18789205955075 69.723 > 27 28 Ga 0.85735221129740 0.13615926046569 0.68789205955075 69.723 > 27 29 Ga 0.63569741517671 0.78609331677567 0.05264458719995 69.723 > 29 30 Ga 0.63569741517671 0.78609331677567 0.55264458719995 69.723 > 29 31 Ga 0.36430258482329 0.78609331677567 0.44735541280005 69.723 > 31 32 Ga 0.36430258482329 0.78609331677567 0.94735541280005 69.723 > 31 33 Ga 0.36430258482329 0.21390668322433 0.44735541280005 69.723 > 33 34 Ga 0.36430258482329 0.21390668322433 0.94735541280005 69.723 > 33 35 Ga 0.63569741517671 0.21390668322433 0.05264458719995 69.723 > 35 36 Ga 0.63569741517671 0.21390668322433 0.55264458719995 69.723 > 35 37 Ga 0.00000000000000 0.36711015098110 0.25000000000000 69.723 > 17 38 Ga 0.00000000000000 0.36711015098110 0.75000000000000 69.723 > 17 39 Ga 0.00000000000000 0.63288984901890 0.25000000000000 69.723 > 19 40 Ga 0.00000000000000 0.63288984901890 0.75000000000000 69.723 > 19 41 Ga 0.35735221129740 0.36384073953431 0.18789205955075 69.723 > 21 42 Ga 0.35735221129740 0.36384073953431 0.68789205955075 69.723 > 21 43 Ga 0.64264778870260 0.36384073953431 0.31210794044925 69.723 > 23 44 Ga 0.64264778870260 0.36384073953431 0.81210794044925 69.723 > 23 45 Ga 0.64264778870260 0.63615926046569 0.31210794044925 69.723 > 25 46 Ga 0.64264778870260 0.63615926046569 0.81210794044925 69.723 > 25 47 Ga 0.35735221129740 0.63615926046569 0.18789205955075 69.723 > 27 48 Ga 0.35735221129740 0.63615926046569 0.68789205955075 69.723 > 27 49 Ga 0.13569741517671 0.28609331677567 0.05264458719995 69.723 > 29 50 Ga 0.13569741517671 0.28609331677567 0.55264458719995 69.723 > 29 51 Ga 0.86430258482329 0.28609331677567 0.44735541280005 69.723 > 31 52 Ga 0.86430258482329 0.28609331677567 0.94735541280005 69.723 > 31 53 Ga 0.86430258482329 0.71390668322433 0.44735541280005 69.723 > 33 54 Ga 0.86430258482329 0.71390668322433 0.94735541280005 69.723 > 33 55 Ga 0.13569741517671 0.71390668322433 0.05264458719995 69.723 > 35 56 Ga 0.13569741517671 0.71390668322433 0.55264458719995 69.723 > 35 57 O 0.43271010462866 0.00000000000000 0.12541702944747 15.999 > 57 58 O 0.43271010462866 0.00000000000000 0.62541702944747 15.999 > 57 59 O 0.56728989537134 0.00000000000000 0.37458297055253 15.999 > 59 60 O 0.56728989537134 0.00000000000000 0.87458297055253 15.999 > 59 61 O 0.90369550861052 0.00000000000000 0.15281074902308 15.999 > 61 62 O 0.90369550861052 0.00000000000000 0.65281074902308 15.999 > 61 63 O 0.09630449138948 0.00000000000000 0.34718925097692 15.999 > 63 64 O 0.09630449138948 0.00000000000000 0.84718925097692 15.999 > 63 65 O 0.74058857001778 0.86387725730834 0.06611625417455 15.999 > 65 66 O 0.74058857001778 0.86387725730834 0.56611625417455 15.999 > 65 67 O 0.25941142998222 0.86387725730834 0.43388374582545 15.999 > 67 68 O 0.25941142998222 0.86387725730834 0.93388374582545 15.999 > 67 69 O 0.25941142998222 0.13612274269166 0.43388374582545 15.999 > 69 70 O 0.25941142998222 0.13612274269166 0.93388374582545 15.999 > 69 71 O 0.74058857001778 0.13612274269166 0.06611625417455 15.999 > 71 72 O 0.74058857001778 0.13612274269166 0.56611625417455 15.999 > 71 73 O 0.41698725870589 0.24415985751335 0.13537406695373 15.999 > 73 74 O 0.41698725870589 0.24415985751335 0.63537406695373 15.999 > 73 75 O 0.58301274129411 0.24415985751335 0.36462593304627 15.999 > 75 76 O 0.58301274129411 0.24415985751335 0.86462593304627 15.999 > 75 77 O 0.58301274129411 0.75584014248665 0.36462593304627 15.999 > 77 78 O 0.58301274129411 0.75584014248665 0.86462593304627 15.999 > 77 79 O 0.41698725870589 0.75584014248665 0.13537406695373 15.999 > 79 80 O 0.41698725870589 0.75584014248665 0.63537406695373 15.999 > 79 81 O 0.36421348746665 0.64406640481000 0.36984032643629 15.999 > 81 82 O 0.36421348746665 0.64406640481000 0.86984032643629 15.999 > 81 83 O 0.63578651253335 0.64406640481000 0.13015967356371 15.999 > 83 84 O 0.63578651253335 0.64406640481000 0.63015967356371 15.999 > 83 85 O 0.63578651253335 0.35593359519000 0.13015967356371 15.999 > 85 86 O 0.63578651253335 0.35593359519000 0.63015967356371 15.999 > 85 87 O 0.36421348746665 0.35593359519000 0.36984032643629 15.999 > 87 88 O 0.36421348746665 0.35593359519000 0.86984032643629 15.999 > 87 89 O 0.43045821674486 0.88565096869036 0.37876945702999 15.999 > 89 90 O 0.43045821674486 0.88565096869036 0.87876945702999 15.999 > 89 91 O 0.56954178325514 0.88565096869036 0.12123054297001 15.999 > 91 92 O 0.56954178325514 0.88565096869036 0.62123054297001 15.999 > 91 93 O 0.56954178325514 0.11434903130964 0.12123054297001 15.999 > 93 94 O 0.56954178325514 0.11434903130964 0.62123054297001 15.999 > 93 95 O 0.43045821674486 0.11434903130964 0.37876945702999 15.999 > 95 96 O 0.43045821674486 0.11434903130964 0.87876945702999 15.999 > 95 97 O 0.93271010462866 0.50000000000000 0.12541702944747 15.999 > 57 98 O 0.93271010462866 0.50000000000000 0.62541702944747 15.999 > 57 99 O 0.06728989537134 0.50000000000000 0.37458297055253 15.999 > 59 100 O 0.06728989537134 0.50000000000000 0.87458297055253 15.999 > 59 101 O 0.40369550861052 0.50000000000000 0.15281074902308 15.999 > 61 102 O 0.40369550861052 0.50000000000000 0.65281074902308 15.999 > 61 103 O 0.59630449138948 0.50000000000000 0.34718925097692 15.999 > 63 104 O 0.59630449138948 0.50000000000000 0.84718925097692 15.999 > 63 105 O 0.24058857001778 0.36387725730834 0.06611625417455 15.999 > 65 106 O 0.24058857001778 0.36387725730834 0.56611625417455 15.999 > 65 107 O 0.75941142998222 0.36387725730834 0.43388374582545 15.999 > 67 108 O 0.75941142998222 0.36387725730834 0.93388374582545 15.999 > 67 109 O 0.75941142998222 0.63612274269166 0.43388374582545 15.999 > 69 110 O 0.75941142998222 0.63612274269166 0.93388374582545 15.999 > 69 111 O 0.24058857001778 0.63612274269166 0.06611625417455 15.999 > 71 112 O 0.24058857001778 0.63612274269166 0.56611625417455 15.999 > 71 113 O 0.91698725870589 0.74415985751335 0.13537406695373 15.999 > 73 114 O 0.91698725870589 0.74415985751335 0.63537406695373 15.999 > 73 115 O 0.08301274129411 0.74415985751335 0.36462593304627 15.999 > 75 116 O 0.08301274129411 0.74415985751335 0.86462593304627 15.999 > 75 117 O 0.08301274129411 0.25584014248665 0.36462593304627 15.999 > 77 118 O 0.08301274129411 0.25584014248665 0.86462593304627 15.999 > 77 119 O 0.91698725870589 0.25584014248665 0.13537406695373 15.999 > 79 120 O 0.91698725870589 0.25584014248665 0.63537406695373 15.999 > 79 121 O 0.86421348746665 0.14406640481000 0.36984032643629 15.999 > 81 122 O 0.86421348746665 0.14406640481000 0.86984032643629 15.999 > 81 123 O 0.13578651253335 0.14406640481000 0.13015967356371 15.999 > 83 124 O 0.13578651253335 0.14406640481000 0.63015967356371 15.999 > 83 125 O 0.13578651253335 0.85593359519000 0.13015967356371 15.999 > 85 126 O 0.13578651253335 0.85593359519000 0.63015967356371 15.999 > 85 127 O 0.86421348746665 0.85593359519000 0.36984032643629 15.999 > 87 128 O 0.86421348746665 0.85593359519000 0.86984032643629 15.999 > 87 129 O 0.93045821674486 0.38565096869036 0.37876945702999 15.999 > 89 130 O 0.93045821674486 0.38565096869036 0.87876945702999 15.999 > 89 131 O 0.06954178325514 0.38565096869036 0.12123054297001 15.999 > 91 132 O 0.06954178325514 0.38565096869036 0.62123054297001 15.999 > 91 133 O 0.06954178325514 0.61434903130964 0.12123054297001 15.999 > 93 134 O 0.06954178325514 0.61434903130964 0.62123054297001 15.999 > 93 135 O 0.93045821674486 0.61434903130964 0.37876945702999 15.999 > 95 136 O 0.93045821674486 0.61434903130964 0.87876945702999 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3392482 0.0000000 -0.0536195 0.0000000 4.2017248 0.0000000 -0.0535946 0.0000000 4.2057413 -------------------------- Born effective charges -------------------------- 1 Pb 4.4447900 0.0000000 -0.1753137 0.0000000 2.5236488 0.0000000 -0.0703505 0.0000000 3.0355294 2 Pb 3.5252623 0.0000000 -0.0306393 0.0000000 2.7123492 0.0000000 -0.0058644 0.0000000 2.7389286 3 Pb 3.5252623 0.0000000 -0.0306393 0.0000000 2.7123492 0.0000000 -0.0058644 0.0000000 2.7389286 4 Ge 3.6856139 0.0000000 -0.3875754 0.0000000 4.0372057 0.0000000 -0.1092998 0.0000000 4.0839605 5 Ga 3.0713077 0.0000000 0.1134503 0.0000000 3.3165097 0.0000000 -0.0180072 0.0000000 3.5927519 6 Ga 3.0713077 0.0000000 0.1134503 0.0000000 3.3165097 0.0000000 -0.0180072 0.0000000 3.5927519 7 Ga 2.5389338 -0.0890374 0.0993765 -0.2059304 2.7499255 0.0143160 -0.0504272 -0.0202037 3.1109112 8 Ga 2.5389338 0.0890374 0.0993765 0.2059304 2.7499255 -0.0143160 -0.0504272 0.0202037 3.1109112 9 Ga 2.5389338 -0.0890374 0.0993765 -0.2059304 2.7499255 0.0143160 -0.0504272 -0.0202037 3.1109112 10 Ga 2.5389338 0.0890374 0.0993765 0.2059304 2.7499255 -0.0143160 -0.0504272 0.0202037 3.1109112 11 Ga 2.8869644 0.0187526 -0.3251701 0.1634250 3.2623481 0.0204601 -0.1922900 -0.0121486 2.5060064 12 Ga 2.8869644 -0.0187526 -0.3251701 -0.1634250 3.2623481 -0.0204601 -0.1922900 0.0121486 2.5060064 13 Ga 2.8869644 0.0187526 -0.3251701 0.1634250 3.2623481 0.0204601 -0.1922900 -0.0121486 2.5060064 14 Ga 2.8869644 -0.0187526 -0.3251701 -0.1634250 3.2623481 -0.0204601 -0.1922900 0.0121486 2.5060064 15 O -2.9283095 0.0000000 0.2258785 0.0000000 -1.9611435 0.0000000 0.0283919 0.0000000 -2.0106868 16 O -2.9283095 0.0000000 0.2258785 0.0000000 -1.9611435 0.0000000 0.0283919 0.0000000 -2.0106868 17 O -2.2517939 0.0000000 0.4419740 0.0000000 -2.1999158 0.0000000 0.4922684 0.0000000 -1.9680148 18 O -2.2517939 0.0000000 0.4419740 0.0000000 -2.1999158 0.0000000 0.4922684 0.0000000 -1.9680148 19 O -2.3540073 -0.4138243 -0.2775651 -0.3841374 -1.9575252 0.5101915 -0.2557541 0.3920549 -1.9930963 20 O -2.3540073 0.4138243 -0.2775651 0.3841374 -1.9575252 -0.5101915 -0.2557541 -0.3920549 -1.9930963 21 O -2.3540073 -0.4138243 -0.2775651 -0.3841374 -1.9575252 0.5101915 -0.2557541 0.3920549 -1.9930963 22 O -2.3540073 0.4138243 -0.2775651 0.3841374 -1.9575252 -0.5101915 -0.2557541 -0.3920549 -1.9930963 23 O -1.6940123 0.5712406 -0.1230728 0.5384192 -2.2315151 -0.0515862 -0.1173115 -0.0020993 -2.2337954 24 O -1.6940123 -0.5712406 -0.1230728 -0.5384192 -2.2315151 0.0515862 -0.1173115 0.0020993 -2.2337954 25 O -1.6940123 0.5712406 -0.1230728 0.5384192 -2.2315151 -0.0515862 -0.1173115 -0.0020993 -2.2337954 26 O -1.6940123 -0.5712406 -0.1230728 -0.5384192 -2.2315151 0.0515862 -0.1173115 0.0020993 -2.2337954 27 O -1.9101259 0.0865071 0.1037348 0.1896902 -2.3640694 -0.1478417 0.1986308 -0.1136935 -2.2706267 28 O -1.9101259 -0.0865071 0.1037348 -0.1896902 -2.3640694 0.1478417 0.1986308 0.1136935 -2.2706267 29 O -1.9101259 0.0865071 0.1037348 0.1896902 -2.3640694 -0.1478417 0.1986308 -0.1136935 -2.2706267 30 O -1.9101259 -0.0865071 0.1037348 -0.1896902 -2.3640694 0.1478417 0.1986308 0.1136935 -2.2706267 31 O -2.2085870 -0.5805714 0.2880872 -0.4136589 -2.0332773 -0.1733124 0.2136700 -0.1640350 -2.0757611 32 O -2.2085870 0.5805714 0.2880872 0.4136589 -2.0332773 0.1733124 0.2136700 0.1640350 -2.0757611 33 O -2.2085870 -0.5805714 0.2880872 -0.4136589 -2.0332773 -0.1733124 0.2136700 -0.1640350 -2.0757611 34 O -2.2085870 0.5805714 0.2880872 0.4136589 -2.0332773 0.1733124 0.2136700 0.1640350 -2.0757611 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 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: 0.54, Number of G-points: 317, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -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 1.216 ( 0.000 0.000 0.000) 0.000 1.416 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 11.118 ( 0.000 0.000 0.000) 0.000 11.190 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 12.314 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.826 ( 0.000 0.000 0.000) 0.000 13.019 ( 0.000 0.000 0.000) 0.000 13.322 ( 0.000 0.000 0.000) 0.000 13.351 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.776 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.277 ( 0.000 0.000 0.000) 0.000 14.484 ( 0.000 0.000 0.000) 0.000 14.973 ( 0.000 0.000 0.000) 0.000 15.279 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.575 ( 0.000 0.000 0.000) 0.000 16.380 ( 0.000 0.000 0.000) 0.000 17.043 ( 0.000 0.000 0.000) 0.000 17.381 ( 0.000 0.000 0.000) 0.000 17.385 ( 0.000 0.000 0.000) 0.000 18.614 ( 0.000 0.000 0.000) 0.000 18.757 ( 0.000 0.000 0.000) 0.000 18.782 ( 0.000 0.000 0.000) 0.000 19.356 ( 0.000 0.000 0.000) 0.000 19.560 ( 0.000 0.000 0.000) 0.000 19.601 ( 0.000 0.000 0.000) 0.000 19.935 ( 0.000 0.000 0.000) 0.000 20.057 ( 0.000 0.000 0.000) 0.000 20.185 ( 0.000 0.000 0.000) 0.000 20.497 ( 0.000 0.000 0.000) 0.000 20.708 ( 0.000 0.000 0.000) 0.000 20.953 ( 0.000 0.000 0.000) 0.000 21.307 ( 0.000 0.000 0.000) 0.000 21.355 ( 0.000 0.000 0.000) 0.000 21.702 ( 0.000 0.000 0.000) 0.000 22.229 ( 0.000 0.000 0.000) 0.000 22.241 ( 0.000 0.000 0.000) 0.000 22.436 ( 0.000 0.000 0.000) 0.000 22.821 ( 0.000 0.000 0.000) 0.000 22.970 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 16.011 -16.445 10.900) 25.409 0.597 ( 8.222 -24.708 9.997) 27.893 1.023 ( 20.744 -33.536 1.285) 39.454 1.308 ( 2.094 9.258 9.246) 13.251 1.479 ( -5.487 2.865 8.030) 10.139 1.679 ( -0.747 0.470 4.304) 4.394 1.714 ( 0.911 -0.067 -4.614) 4.704 1.801 ( -0.059 5.061 -0.204) 5.066 1.985 ( -0.999 4.372 -0.406) 4.503 2.260 ( -6.726 2.147 -4.549) 8.399 2.318 ( -2.751 -3.932 -2.528) 5.424 2.366 ( 6.584 -0.520 -0.440) 6.619 2.565 ( 1.772 2.770 4.758) 5.784 2.922 ( -0.051 15.977 -6.967) 17.430 3.210 ( -4.564 10.639 1.849) 11.723 3.327 ( -2.035 2.506 4.160) 5.265 3.383 ( -3.071 -3.721 -2.014) 5.228 3.505 ( 1.456 1.679 -0.974) 2.427 3.760 ( 1.819 -8.073 -0.238) 8.279 3.813 ( 2.829 -8.121 0.234) 8.603 4.028 ( -10.734 -4.766 -2.612) 12.031 4.202 ( 0.203 -15.042 -4.342) 15.658 4.496 ( -1.797 16.010 0.751) 16.128 4.610 ( -1.409 4.094 -6.093) 7.474 4.714 ( -4.549 -3.159 -3.848) 6.744 4.794 ( 4.738 14.689 -1.313) 15.490 4.924 ( 0.852 7.325 0.294) 7.381 5.204 ( -1.205 4.029 0.712) 4.265 5.270 ( 1.290 5.756 3.130) 6.678 5.407 ( 3.695 -16.477 0.142) 16.887 5.527 ( 6.611 -0.293 4.120) 7.796 5.583 ( 0.133 10.405 -7.731) 12.963 5.833 ( 4.082 -7.591 0.069) 8.619 5.856 ( 0.913 2.054 -0.367) 2.278 6.001 ( 2.614 3.588 4.955) 6.653 6.081 ( 1.073 -17.160 2.130) 17.325 6.201 ( -0.716 -4.615 0.891) 4.754 6.246 ( -7.528 1.336 1.429) 7.778 6.320 ( -0.018 0.420 2.626) 2.659 6.753 ( -3.059 4.330 1.154) 5.426 6.868 ( -1.783 -3.608 -2.995) 5.017 7.065 ( 6.241 8.399 0.205) 10.466 7.187 ( -3.261 5.418 3.560) 7.257 7.254 ( 6.539 1.057 -0.162) 6.626 7.396 ( 0.547 -0.427 -5.090) 5.137 7.444 ( 2.086 1.714 2.218) 3.494 7.548 ( 5.251 8.327 13.835) 16.980 7.702 ( 6.903 -1.726 1.366) 7.246 7.796 ( 19.199 4.199 -0.503) 19.659 8.033 ( -2.645 -6.305 -5.563) 8.815 8.499 ( 1.775 7.523 2.523) 8.131 8.770 ( -1.166 8.180 -1.952) 8.490 8.905 ( -1.049 2.567 -0.698) 2.859 9.147 ( 5.084 -3.910 -2.754) 6.980 9.341 ( -1.684 -1.268 4.646) 5.102 9.412 ( -1.337 -1.030 0.698) 1.826 9.556 ( -2.365 5.613 -0.504) 6.111 10.167 ( 1.165 -1.890 -2.700) 3.495 10.284 ( -2.377 -8.014 5.473) 9.992 11.113 ( 0.851 1.185 -0.100) 1.462 11.198 ( 0.144 -0.857 -0.251) 0.905 11.887 ( 1.453 0.938 4.341) 4.673 12.312 ( 0.278 0.131 -0.919) 0.969 12.623 ( -1.382 -3.291 0.328) 3.585 12.769 ( -0.314 4.833 2.088) 5.274 13.060 ( -4.839 -11.490 -13.108) 18.090 13.164 ( -7.051 2.327 7.604) 10.628 13.356 ( 4.303 5.022 4.078) 7.770 13.508 ( -15.511 -11.750 0.278) 19.461 13.716 ( 0.561 -5.772 8.038) 9.912 13.957 ( -21.737 -11.888 12.294) 27.658 14.272 ( -2.443 -2.261 -7.632) 8.327 14.451 ( 1.896 1.538 -6.497) 6.941 14.708 ( 13.420 6.552 -14.141) 20.567 15.212 ( -14.699 -11.742 -17.171) 25.471 15.298 ( 1.243 -3.551 -13.859) 14.360 15.333 ( -5.961 -1.842 13.260) 14.654 15.593 ( 0.758 -1.950 -4.731) 5.173 17.038 ( -0.410 0.235 0.271) 0.545 17.164 ( 30.851 19.826 -6.330) 37.214 17.387 ( -0.229 -0.982 -2.064) 2.297 17.474 ( 9.536 17.622 36.409) 41.558 18.688 ( -3.344 -2.267 -1.630) 4.356 18.778 ( 0.522 1.208 1.482) 1.982 18.821 ( 1.872 -4.482 1.818) 5.186 19.299 ( -0.562 6.125 -6.205) 8.737 19.581 ( 0.027 2.373 1.669) 2.902 19.730 ( 2.641 -2.270 1.347) 3.734 19.969 ( 3.500 -0.993 -0.302) 3.650 20.168 ( -0.490 0.615 -1.533) 1.723 20.513 ( 0.743 -0.940 1.317) 1.780 20.680 ( -1.651 1.147 -2.401) 3.131 20.847 ( -18.457 -15.793 -15.135) 28.621 21.038 ( -23.808 -11.061 11.116) 28.509 21.310 ( -0.669 -1.966 -3.073) 3.709 21.384 ( 0.648 -0.416 5.125) 5.183 22.077 ( 8.243 5.066 -16.568) 19.186 22.227 ( -0.633 0.238 0.119) 0.687 22.289 ( 8.653 0.784 -4.965) 10.007 22.440 ( 0.210 -0.258 0.207) 0.392 22.892 ( 2.792 4.721 3.482) 6.497 23.129 ( 3.501 1.936 3.869) 5.565 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.029 -0.201 4.199) 4.204 1.072 ( 11.094 -12.065 5.461) 17.276 1.254 ( 4.707 -11.280 7.431) 14.304 1.329 ( -6.272 0.909 -2.378) 6.769 1.546 ( -0.897 5.940 -1.130) 6.113 1.658 ( -2.832 -2.062 0.615) 3.557 1.720 ( 1.067 0.943 -0.664) 1.571 1.837 ( 1.090 7.324 1.754) 7.610 1.916 ( 3.870 -8.152 -1.589) 9.162 2.082 ( -4.640 3.910 -2.709) 6.645 2.386 ( 2.299 -8.318 -4.151) 9.576 2.473 ( 0.762 -5.265 2.042) 5.699 2.566 ( 4.058 4.580 -3.228) 6.919 2.681 ( -3.964 6.817 1.956) 8.124 3.042 ( 0.037 3.775 2.803) 4.703 3.296 ( -5.011 -1.604 1.342) 5.430 3.414 ( 0.980 -4.639 -2.286) 5.264 3.499 ( 0.274 -0.070 -0.833) 0.880 3.812 ( 0.607 -0.380 0.105) 0.724 3.903 ( -6.203 6.583 -1.483) 9.166 4.034 ( -1.311 -7.800 1.048) 7.979 4.143 ( -1.634 10.727 -0.377) 10.857 4.355 ( 0.346 -0.370 -0.310) 0.594 4.516 ( 1.921 3.145 -0.333) 3.701 4.568 ( -4.695 0.954 -4.056) 6.277 4.836 ( -1.723 -2.776 -3.819) 5.025 4.926 ( 2.979 -6.128 0.600) 6.840 5.116 ( 0.929 3.669 -1.192) 3.968 5.195 ( 2.697 7.087 4.807) 8.978 5.374 ( 1.677 9.130 -3.560) 9.942 5.608 ( 3.836 1.052 2.415) 4.653 5.723 ( 3.244 -12.382 -2.751) 13.092 5.863 ( 1.913 -0.017 1.173) 2.244 5.908 ( -5.810 4.742 2.198) 7.815 5.981 ( 3.998 -1.505 1.807) 4.638 6.109 ( -5.293 1.930 0.106) 5.635 6.230 ( 4.229 -1.673 0.463) 4.571 6.337 ( -2.608 -6.610 1.164) 7.200 6.504 ( 1.799 -10.019 1.512) 10.291 6.619 ( -2.523 2.762 -0.361) 3.759 6.854 ( -1.452 2.032 3.081) 3.966 6.945 ( -3.430 7.064 -2.395) 8.210 7.126 ( 5.083 0.968 -3.909) 6.485 7.341 ( 1.663 -2.194 -0.039) 2.753 7.381 ( 2.119 1.781 -1.669) 3.232 7.460 ( 0.513 -0.483 1.633) 1.779 7.532 ( -0.346 2.455 5.417) 5.958 7.796 ( -1.282 -2.557 3.562) 4.568 7.958 ( 9.135 0.398 0.188) 9.146 8.060 ( -3.461 -5.320 -6.400) 9.014 8.386 ( 0.670 6.907 1.715) 7.148 8.678 ( 0.790 2.392 0.497) 2.568 8.846 ( -1.915 0.506 -1.073) 2.253 9.224 ( 6.344 2.103 -2.489) 7.132 9.337 ( -3.980 -0.258 4.080) 5.706 9.409 ( -1.065 -0.896 -0.250) 1.414 9.476 ( -0.978 0.585 -0.210) 1.159 10.194 ( 0.678 -0.401 0.057) 0.790 10.397 ( -0.153 -4.028 0.605) 4.076 11.101 ( 0.507 0.910 -0.080) 1.044 11.215 ( 0.165 -0.642 -0.137) 0.677 11.907 ( 0.320 -0.214 1.369) 1.422 12.310 ( 0.196 0.082 -0.626) 0.661 12.668 ( -1.893 -3.641 0.808) 4.182 12.707 ( 0.440 2.948 -0.099) 2.982 13.046 ( -0.826 3.357 3.674) 5.045 13.179 ( -2.934 -9.824 -10.639) 14.776 13.288 ( 3.813 9.107 3.890) 10.612 13.582 ( -4.319 -8.530 3.495) 10.180 13.767 ( -0.669 3.736 1.279) 4.005 13.993 ( -5.023 -8.822 9.511) 13.911 14.181 ( -0.719 5.302 -8.824) 10.319 14.478 ( 1.468 -3.247 -4.220) 5.523 14.690 ( 4.154 4.631 -0.123) 6.223 15.152 ( -4.852 -1.677 -1.404) 5.322 15.300 ( 0.534 -0.482 -3.695) 3.764 15.367 ( -1.189 -2.085 2.178) 3.241 15.604 ( 0.379 -0.563 -2.899) 2.978 17.031 ( -0.228 0.135 0.195) 0.329 17.190 ( 6.634 3.641 -1.568) 7.728 17.394 ( -0.246 -1.083 -2.026) 2.311 17.456 ( 2.951 5.655 10.327) 12.138 18.682 ( -1.303 -1.178 -1.311) 2.192 18.771 ( 0.410 0.832 1.021) 1.379 18.952 ( 2.144 -6.049 2.159) 6.771 19.146 ( -2.199 6.245 -3.638) 7.554 19.552 ( -0.649 0.714 0.621) 1.147 19.789 ( 1.503 -0.408 0.971) 1.835 20.034 ( 2.516 -0.970 1.104) 2.913 20.140 ( -0.716 0.546 -1.948) 2.146 20.557 ( 1.509 -1.443 2.385) 3.170 20.619 ( -2.076 1.504 -2.940) 3.901 20.812 ( -5.409 -3.547 -3.651) 7.427 20.980 ( -5.492 -1.353 2.538) 6.199 21.326 ( -0.047 -1.041 -1.004) 1.447 21.410 ( 0.323 0.081 2.233) 2.258 22.037 ( 0.769 0.881 -3.657) 3.840 22.216 ( -0.135 0.305 0.040) 0.336 22.352 ( 3.498 -0.108 -1.919) 3.991 22.448 ( 0.066 -0.146 0.278) 0.320 22.862 ( 0.042 1.484 0.709) 1.645 23.156 ( 1.068 0.010 1.020) 1.477 ======================= Grid point 6 (4/78) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 22.057 0.000 -2.373) 22.184 0.648 ( 18.075 0.000 12.406) 21.922 1.119 ( 13.256 0.000 7.372) 15.168 1.381 ( -2.379 -0.000 -0.142) 2.383 1.466 ( -1.905 -0.000 4.600) 4.979 1.606 ( -0.219 -0.000 2.111) 2.122 1.761 ( 0.461 0.000 3.071) 3.106 1.827 ( -5.996 -0.000 -0.245) 6.001 2.009 ( -8.613 -0.000 -0.150) 8.614 2.072 ( -10.308 -0.000 -6.583) 12.231 2.217 ( 0.548 0.000 -2.051) 2.123 2.450 ( 5.770 0.000 -0.693) 5.812 2.792 ( 10.044 0.000 9.605) 13.897 2.992 ( -12.706 -0.000 0.875) 12.736 3.083 ( -16.023 -0.000 -3.559) 16.414 3.269 ( -3.737 -0.000 7.405) 8.295 3.442 ( 3.255 0.000 -10.217) 10.723 3.518 ( -2.906 -0.000 -3.813) 4.794 3.700 ( -4.965 -0.000 4.748) 6.870 3.787 ( 5.384 0.000 0.027) 5.384 3.897 ( -4.835 -0.000 -0.848) 4.908 4.008 ( 6.009 0.000 -7.153) 9.342 4.333 ( -14.693 -0.000 -14.735) 20.809 4.688 ( 1.852 0.000 5.016) 5.347 4.708 ( 2.192 0.000 -5.634) 6.045 5.051 ( -3.124 -0.000 -1.550) 3.487 5.117 ( 5.197 0.000 -0.714) 5.246 5.237 ( 5.196 0.000 3.959) 6.533 5.287 ( 7.231 0.000 -1.009) 7.301 5.349 ( 5.857 0.000 0.404) 5.871 5.588 ( -4.269 -0.000 -11.485) 12.253 5.684 ( 1.746 0.000 3.751) 4.137 5.722 ( -0.013 -0.000 -7.072) 7.072 5.914 ( 0.157 0.000 5.710) 5.712 5.921 ( 15.813 0.000 4.194) 16.360 6.085 ( 2.545 0.000 0.800) 2.668 6.112 ( -13.239 -0.000 7.754) 15.342 6.254 ( 2.039 0.000 6.791) 7.091 6.385 ( 2.849 0.000 -0.018) 2.849 6.706 ( -5.889 -0.000 6.338) 8.651 6.727 ( -9.839 -0.000 -6.703) 11.905 7.195 ( 4.540 0.000 -7.345) 8.635 7.215 ( -6.787 -0.000 -1.484) 6.947 7.252 ( 3.067 0.000 6.022) 6.758 7.329 ( -5.817 -0.000 -1.892) 6.117 7.491 ( 0.210 0.000 2.843) 2.851 7.525 ( 1.287 0.000 -1.439) 1.930 7.733 ( 0.144 0.000 3.860) 3.862 7.898 ( -2.424 -0.000 -7.288) 7.681 8.474 ( 4.525 0.000 4.684) 6.513 8.734 ( 4.492 0.000 -1.550) 4.752 8.767 ( -3.338 -0.000 -2.761) 4.332 8.986 ( -1.709 -0.000 -2.193) 2.780 9.094 ( 7.174 0.000 -8.733) 11.302 9.345 ( -1.568 -0.000 11.489) 11.595 9.378 ( -1.732 -0.000 -1.027) 2.013 9.601 ( -3.295 -0.000 -0.147) 3.298 10.053 ( 2.231 0.000 0.179) 2.238 10.240 ( -1.380 -0.000 10.552) 10.641 11.161 ( 2.945 0.000 0.696) 3.026 11.175 ( -0.740 -0.000 -0.842) 1.121 12.012 ( -5.778 -0.000 14.188) 15.319 12.313 ( 1.067 0.000 -3.402) 3.565 12.371 ( -3.712 -0.000 -3.179) 4.887 12.590 ( -0.980 -0.000 0.293) 1.023 12.980 ( 6.548 0.000 7.539) 9.985 13.105 ( 0.441 0.000 6.631) 6.646 13.319 ( 3.039 0.000 1.039) 3.212 13.535 ( -1.813 -0.000 -3.872) 4.275 13.615 ( 3.688 0.000 5.298) 6.456 13.869 ( 3.874 0.000 8.226) 9.092 14.162 ( -2.078 -0.000 -13.057) 13.221 14.423 ( 0.529 0.000 -14.278) 14.288 14.860 ( 4.556 0.000 -14.013) 14.735 15.083 ( 5.004 0.000 8.423) 9.798 15.243 ( 1.974 0.000 -8.194) 8.428 15.377 ( 2.640 0.000 10.494) 10.821 15.578 ( 1.803 0.000 -4.492) 4.840 17.034 ( -0.844 -0.000 1.224) 1.487 17.224 ( -1.168 -0.000 -15.593) 15.637 17.295 ( -4.649 -0.000 -5.164) 6.948 18.199 ( -13.449 -0.000 32.298) 34.986 18.621 ( 0.659 0.000 -0.651) 0.926 18.747 ( -1.143 -0.000 1.140) 1.615 18.812 ( 0.526 0.000 4.507) 4.537 19.458 ( 0.036 0.000 -16.543) 16.543 19.491 ( -4.934 -0.000 1.948) 5.304 19.854 ( 8.467 0.000 -1.323) 8.569 19.897 ( 0.084 0.000 -3.245) 3.246 20.112 ( -3.889 -0.000 3.936) 5.533 20.182 ( 4.598 0.000 -2.215) 5.104 20.528 ( 1.491 0.000 2.265) 2.712 20.663 ( -1.161 -0.000 -3.806) 3.979 21.113 ( 4.792 0.000 10.938) 11.941 21.279 ( 2.214 0.000 -6.523) 6.889 21.413 ( 0.229 0.000 5.784) 5.788 21.982 ( -6.585 -0.000 -11.318) 13.094 22.226 ( -0.413 -0.000 0.815) 0.914 22.407 ( 8.836 0.000 -10.071) 13.398 22.446 ( -0.111 -0.000 2.740) 2.743 22.915 ( -3.309 -0.000 -1.744) 3.741 23.235 ( 0.928 0.000 2.392) 2.566 ======================= Grid point 7 (5/78) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -5.641 0.295 3.231) 6.508 0.981 ( 8.556 -13.939 6.854) 17.733 1.070 ( -2.032 -10.223 -3.018) 10.851 1.335 ( 0.307 1.406 2.813) 3.160 1.470 ( -4.888 -5.581 -0.909) 7.475 1.672 ( -5.110 1.128 2.252) 5.697 1.787 ( 0.664 1.701 0.532) 1.902 1.861 ( -6.178 1.348 -6.762) 9.258 1.927 ( -5.245 -3.463 -4.033) 7.468 1.962 ( 16.036 -3.086 1.745) 16.423 2.293 ( 4.732 -4.220 -3.131) 7.071 2.477 ( 1.099 2.207 0.733) 2.572 2.705 ( -8.834 6.422 0.059) 10.922 2.850 ( 10.632 11.789 6.613) 17.197 2.976 ( -11.726 -1.092 3.732) 12.354 3.282 ( -0.979 2.502 4.048) 4.859 3.324 ( 0.609 -5.821 -2.588) 6.399 3.502 ( 0.629 2.043 -3.832) 4.388 3.717 ( -8.407 -2.477 -6.128) 10.694 3.842 ( -1.536 -11.256 3.326) 11.838 3.924 ( 4.035 0.065 4.584) 6.107 4.140 ( -1.020 -10.512 -5.208) 11.776 4.283 ( -5.886 -14.276 -6.634) 16.807 4.489 ( -1.127 19.907 1.970) 20.036 4.795 ( 4.582 1.621 -2.795) 5.607 4.854 ( -5.468 7.611 -6.827) 11.594 4.939 ( 2.660 14.798 0.001) 15.035 5.211 ( 1.804 2.257 0.952) 3.042 5.386 ( 2.787 6.654 2.065) 7.503 5.404 ( 0.031 0.405 -8.460) 8.470 5.581 ( 1.785 -1.981 -0.448) 2.704 5.693 ( 1.554 -0.893 0.095) 1.795 5.827 ( 1.640 -6.670 0.050) 6.869 5.946 ( -1.197 0.531 2.986) 3.260 6.050 ( -1.339 -2.860 3.622) 4.805 6.097 ( 3.464 0.416 -5.128) 6.203 6.175 ( 3.743 -2.255 1.320) 4.564 6.306 ( 5.331 -4.182 7.780) 10.316 6.442 ( 6.187 -0.214 4.808) 7.839 6.554 ( -8.691 0.446 -1.808) 8.888 6.751 ( -8.520 -8.714 7.298) 14.205 7.009 ( -3.951 8.047 -2.248) 9.242 7.192 ( -5.116 3.340 -1.360) 6.259 7.272 ( -1.086 0.204 -2.518) 2.750 7.322 ( -2.521 -5.778 -1.287) 6.434 7.478 ( 1.971 2.396 -0.305) 3.117 7.581 ( 4.513 -0.850 -3.730) 5.916 7.755 ( -1.865 -2.302 6.195) 6.867 7.888 ( -1.999 -4.766 -6.685) 8.450 8.393 ( 10.181 16.441 3.007) 19.570 8.611 ( 3.008 13.897 2.845) 14.500 8.745 ( -0.030 -1.827 0.037) 1.827 8.860 ( 0.547 7.580 0.580) 7.622 9.223 ( 3.514 -6.747 -8.958) 11.752 9.299 ( -4.540 4.176 -1.095) 6.265 9.413 ( -0.216 -1.111 9.710) 9.775 9.485 ( -2.557 3.359 0.097) 4.223 10.200 ( 2.830 -5.205 -1.775) 6.185 10.286 ( -1.373 -4.718 4.674) 6.782 11.167 ( 2.134 3.001 0.471) 3.712 11.184 ( -0.005 -1.327 -0.910) 1.609 11.948 ( -0.238 2.840 4.492) 5.320 12.308 ( -0.045 -0.017 -0.864) 0.865 12.521 ( -6.718 -13.587 -1.343) 15.217 12.626 ( -2.771 -6.122 -1.359) 6.856 13.016 ( 4.601 2.476 1.689) 5.491 13.155 ( 1.718 4.670 3.190) 5.911 13.415 ( 2.166 -7.226 2.675) 8.004 13.438 ( -1.277 4.377 0.319) 4.570 13.818 ( 3.439 -11.448 5.160) 13.020 13.895 ( 2.349 5.802 5.906) 8.606 14.162 ( -0.300 -4.799 -3.225) 5.790 14.343 ( -0.971 0.206 -16.501) 16.531 14.763 ( -7.641 2.311 -3.852) 8.863 15.185 ( 6.450 0.871 5.271) 8.375 15.261 ( 2.531 -1.503 -5.143) 5.926 15.485 ( 9.073 2.090 8.545) 12.638 15.586 ( 1.229 -0.552 -3.685) 3.923 17.027 ( -1.614 0.163 1.851) 2.461 17.108 ( -6.385 0.950 -13.784) 15.220 17.246 ( -3.313 -3.557 -4.596) 6.690 17.937 ( -0.726 20.452 17.533) 26.949 18.642 ( 0.438 -1.542 -0.969) 1.873 18.824 ( 1.083 1.678 3.275) 3.836 18.850 ( -0.509 -8.933 2.065) 9.183 19.260 ( 2.030 9.658 -8.158) 12.804 19.478 ( -5.540 -2.441 1.151) 6.162 19.881 ( 4.338 3.207 0.899) 5.469 20.002 ( -1.021 -4.161 -3.585) 5.586 20.092 ( -3.716 -2.280 1.193) 4.520 20.368 ( -2.885 -14.982 -1.012) 15.291 20.568 ( 1.821 -0.928 2.304) 3.080 20.626 ( -0.940 0.753 -3.119) 3.343 21.196 ( 10.041 4.211 6.599) 12.732 21.309 ( 2.334 -1.409 -2.487) 3.691 21.426 ( -1.108 0.599 3.904) 4.103 21.884 ( -8.415 -4.440 -7.065) 11.851 22.226 ( -0.215 -0.043 1.018) 1.042 22.439 ( 5.818 2.553 -7.568) 9.881 22.454 ( -0.751 0.594 4.617) 4.715 22.858 ( -2.752 0.280 -1.816) 3.310 23.228 ( 2.101 3.085 1.782) 4.136 ======================= Grid point 8 (6/78) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -2.866 -8.700 -0.044) 9.160 1.001 ( -11.015 2.692 -4.194) 12.090 1.315 ( 4.591 -4.263 1.564) 6.457 1.414 ( -1.901 7.792 0.357) 8.029 1.488 ( 3.261 -2.965 2.819) 5.232 1.666 ( -4.389 -2.160 -4.250) 6.480 1.687 ( -1.771 -0.885 1.955) 2.783 1.781 ( 3.079 0.048 4.708) 5.625 1.959 ( -2.782 -6.561 -7.656) 10.460 2.097 ( 9.804 2.780 -5.296) 11.484 2.400 ( -7.013 -0.920 4.536) 8.402 2.484 ( 3.089 -4.049 -0.529) 5.120 2.586 ( -2.935 -0.450 -0.577) 3.025 2.728 ( 6.485 13.650 0.515) 15.121 2.894 ( -8.185 -2.424 3.605) 9.267 3.354 ( 2.899 -1.838 6.708) 7.535 3.466 ( 0.994 -3.206 -3.163) 4.612 3.497 ( 4.364 -1.940 -2.525) 5.403 3.681 ( -5.160 -10.464 -5.773) 13.017 3.910 ( 1.772 5.810 2.821) 6.698 4.022 ( 1.205 4.033 3.325) 5.363 4.149 ( -3.292 -5.486 2.176) 6.757 4.292 ( 0.901 -3.262 -0.038) 3.384 4.475 ( 1.223 -5.640 3.058) 6.531 4.715 ( -6.006 -9.009 -6.267) 12.510 4.732 ( 7.166 4.353 -3.729) 9.176 4.982 ( 0.196 -7.071 0.993) 7.143 5.102 ( -0.723 10.850 0.007) 10.874 5.215 ( -0.452 11.986 5.054) 13.016 5.282 ( -2.387 7.558 -8.193) 11.399 5.578 ( -0.946 1.148 3.849) 4.126 5.766 ( -1.111 -5.043 -5.841) 7.796 5.853 ( -6.520 5.989 -1.285) 8.946 5.931 ( 3.888 1.471 -0.153) 4.160 6.021 ( 5.302 0.365 -2.106) 5.717 6.189 ( 6.192 0.847 1.367) 6.397 6.204 ( -4.178 -1.302 2.596) 5.088 6.420 ( 0.214 0.348 2.583) 2.615 6.535 ( 1.945 -0.735 1.056) 2.332 6.593 ( 3.116 -5.266 2.240) 6.516 6.837 ( -2.145 -7.372 1.250) 7.778 6.859 ( -4.523 0.662 1.505) 4.813 7.068 ( -5.407 1.798 1.238) 5.831 7.174 ( -5.825 2.801 -2.018) 6.771 7.354 ( -3.645 -3.832 -3.206) 6.185 7.454 ( 1.702 3.405 -0.564) 3.848 7.600 ( 3.011 3.933 -1.021) 5.058 7.840 ( 5.523 -3.955 -6.976) 9.737 7.923 ( -4.996 -3.443 5.871) 8.442 8.274 ( 7.715 11.870 0.435) 14.163 8.404 ( -1.867 9.243 1.051) 9.488 8.765 ( 3.229 8.367 1.923) 9.172 8.836 ( 3.551 -4.212 2.804) 6.182 9.098 ( -9.352 2.631 -3.326) 10.269 9.332 ( 1.743 -4.265 -5.147) 6.908 9.428 ( 0.092 0.687 2.040) 2.154 9.486 ( 0.339 -0.929 3.207) 3.356 10.225 ( 0.994 2.434 0.600) 2.696 10.390 ( -0.411 -4.565 -0.139) 4.586 11.130 ( 1.144 3.376 0.358) 3.582 11.200 ( -0.661 -1.270 -0.687) 1.588 11.928 ( 0.302 1.767 0.860) 1.988 12.306 ( -0.244 -0.189 0.143) 0.340 12.644 ( -0.700 -5.082 2.284) 5.615 12.680 ( -1.101 -5.266 -2.845) 6.086 13.010 ( -0.223 0.332 -4.783) 4.799 13.122 ( 0.352 0.141 3.579) 3.599 13.347 ( -1.195 5.676 3.336) 6.692 13.576 ( 0.383 -7.707 -0.983) 7.779 13.872 ( 5.419 5.598 6.404) 10.086 14.066 ( 3.713 -7.204 0.948) 8.160 14.167 ( 4.831 1.379 -7.073) 8.676 14.315 ( -8.147 -6.586 1.256) 10.551 14.612 ( -7.032 -0.195 -5.600) 8.991 15.261 ( 3.840 -0.955 -4.778) 6.204 15.320 ( 4.736 -0.081 5.973) 7.623 15.560 ( 6.801 4.371 0.132) 8.085 15.631 ( 5.148 -0.695 8.931) 10.332 16.858 ( -16.728 2.372 -12.180) 20.828 17.036 ( 0.246 0.135 -0.958) 0.998 17.278 ( -0.681 -4.031 -1.741) 4.443 17.707 ( 1.307 13.911 7.790) 15.997 18.682 ( 0.767 -2.299 -0.212) 2.432 18.809 ( 0.871 2.788 2.404) 3.783 18.988 ( -0.132 -2.182 -0.358) 2.215 19.131 ( 2.819 2.138 -2.673) 4.434 19.468 ( -4.214 -3.248 0.394) 5.335 19.855 ( 2.085 4.349 0.173) 4.826 19.989 ( -2.876 -0.521 -2.900) 4.118 20.120 ( -0.904 -2.337 2.028) 3.224 20.529 ( -1.961 -5.782 -0.846) 6.163 20.612 ( -1.531 -4.505 -0.124) 4.759 20.623 ( 0.893 -2.855 0.222) 3.000 21.335 ( 9.781 2.588 9.681) 14.003 21.350 ( 10.285 -0.541 -5.425) 11.641 21.402 ( -1.006 1.121 0.513) 1.591 21.828 ( -13.376 -6.682 -2.984) 15.247 22.233 ( 0.442 -0.143 0.960) 1.067 22.395 ( 0.528 4.835 -0.613) 4.903 22.453 ( 0.050 0.357 0.379) 0.523 22.832 ( -0.857 -0.583 -1.545) 1.861 23.198 ( 1.008 3.608 0.691) 3.809 ======================= Grid point 9 (7/78) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.000 16.336 -0.000) 16.336 0.930 ( 0.000 14.036 -0.000) 14.036 1.185 ( 0.000 2.447 -0.000) 2.447 1.377 ( 0.000 5.301 -0.000) 5.301 1.491 ( 0.000 4.115 -0.000) 4.115 1.639 ( -0.000 -4.103 0.000) 4.103 1.770 ( -0.000 -0.879 0.000) 0.879 1.794 ( 0.000 16.436 -0.000) 16.436 1.927 ( -0.000 -7.914 0.000) 7.914 2.172 ( -0.000 -5.647 0.000) 5.647 2.334 ( 0.000 1.996 -0.000) 1.996 2.441 ( 0.000 5.381 -0.000) 5.381 2.607 ( 0.000 4.844 -0.000) 4.844 2.719 ( -0.000 -10.396 0.000) 10.396 2.962 ( -0.000 -12.290 0.000) 12.290 3.411 ( 0.000 8.432 -0.000) 8.432 3.445 ( -0.000 -2.992 0.000) 2.992 3.453 ( 0.000 1.260 -0.000) 1.260 3.845 ( 0.000 3.803 -0.000) 3.803 3.919 ( -0.000 -12.126 0.000) 12.126 4.127 ( 0.000 9.252 -0.000) 9.252 4.187 ( -0.000 -23.109 0.000) 23.109 4.315 ( -0.000 -0.834 0.000) 0.834 4.506 ( 0.000 7.030 -0.000) 7.030 4.776 ( -0.000 -4.787 0.000) 4.787 4.822 ( 0.000 3.855 -0.000) 3.855 4.938 ( 0.000 8.051 -0.000) 8.051 5.081 ( -0.000 -8.162 0.000) 8.162 5.129 ( 0.000 0.149 -0.000) 0.149 5.242 ( -0.000 -17.994 0.000) 17.994 5.574 ( 0.000 0.656 -0.000) 0.656 5.638 ( 0.000 11.466 -0.000) 11.466 5.805 ( -0.000 -2.436 0.000) 2.436 5.872 ( 0.000 4.653 -0.000) 4.653 6.004 ( 0.000 8.126 -0.000) 8.126 6.216 ( -0.000 -2.110 0.000) 2.110 6.243 ( -0.000 -2.332 0.000) 2.332 6.351 ( 0.000 5.930 -0.000) 5.930 6.460 ( 0.000 12.841 -0.000) 12.841 6.726 ( -0.000 -4.474 0.000) 4.474 6.792 ( -0.000 -0.900 0.000) 0.900 6.981 ( 0.000 4.636 -0.000) 4.636 6.982 ( -0.000 -9.842 0.000) 9.842 7.198 ( -0.000 -9.576 0.000) 9.576 7.365 ( -0.000 -1.897 0.000) 1.897 7.390 ( 0.000 4.746 -0.000) 4.746 7.528 ( 0.000 5.499 -0.000) 5.499 7.829 ( 0.000 8.025 -0.000) 8.025 7.876 ( 0.000 7.792 -0.000) 7.792 8.185 ( 0.000 5.092 -0.000) 5.092 8.371 ( -0.000 -4.823 0.000) 4.823 8.673 ( 0.000 1.008 -0.000) 1.008 8.909 ( 0.000 0.087 -0.000) 0.087 9.077 ( -0.000 -6.694 0.000) 6.694 9.363 ( 0.000 0.429 -0.000) 0.429 9.430 ( 0.000 0.120 -0.000) 0.120 9.511 ( -0.000 -1.396 0.000) 1.396 10.188 ( 0.000 1.993 -0.000) 1.993 10.393 ( 0.000 3.688 -0.000) 3.688 11.103 ( 0.000 0.516 -0.000) 0.516 11.203 ( 0.000 0.067 -0.000) 0.067 11.896 ( 0.000 2.106 -0.000) 2.106 12.309 ( -0.000 -0.248 0.000) 0.248 12.691 ( -0.000 -2.821 0.000) 2.821 12.698 ( 0.000 3.377 -0.000) 3.377 13.089 ( -0.000 -9.618 0.000) 9.618 13.162 ( -0.000 -4.689 0.000) 4.689 13.238 ( 0.000 6.910 -0.000) 6.910 13.666 ( -0.000 -2.334 0.000) 2.334 13.800 ( 0.000 8.436 -0.000) 8.436 14.191 ( -0.000 -4.088 0.000) 4.088 14.214 ( -0.000 -2.401 0.000) 2.401 14.362 ( -0.000 -6.208 0.000) 6.208 14.585 ( -0.000 -2.889 0.000) 2.889 15.290 ( -0.000 -1.454 0.000) 1.454 15.355 ( 0.000 2.413 -0.000) 2.413 15.567 ( 0.000 0.398 -0.000) 0.398 15.796 ( -0.000 -3.764 0.000) 3.764 16.534 ( 0.000 8.157 -0.000) 8.157 17.037 ( -0.000 -0.148 0.000) 0.148 17.328 ( -0.000 -2.481 0.000) 2.481 17.546 ( 0.000 8.583 -0.000) 8.583 18.727 ( -0.000 -1.958 0.000) 1.958 18.776 ( 0.000 2.280 -0.000) 2.280 18.892 ( 0.000 7.037 -0.000) 7.037 19.238 ( -0.000 -6.366 0.000) 6.366 19.492 ( -0.000 -3.588 0.000) 3.588 19.796 ( 0.000 4.405 -0.000) 4.405 19.955 ( 0.000 0.747 -0.000) 0.747 20.154 ( -0.000 -1.671 0.000) 1.671 20.526 ( 0.000 1.309 -0.000) 1.309 20.666 ( -0.000 -1.984 0.000) 1.984 20.758 ( -0.000 -10.091 0.000) 10.091 21.347 ( 0.000 2.035 -0.000) 2.035 21.368 ( 0.000 0.011 -0.000) 0.011 21.657 ( -0.000 -2.213 0.000) 2.213 21.686 ( -0.000 -5.270 0.000) 5.270 22.245 ( -0.000 -0.151 0.000) 0.151 22.310 ( 0.000 4.488 -0.000) 4.488 22.446 ( 0.000 0.486 -0.000) 0.486 22.828 ( 0.000 0.041 -0.000) 0.041 23.140 ( 0.000 3.538 -0.000) 3.538 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -26.825 -0.000 -3.807) 27.093 0.965 ( 0.106 0.000 -0.218) 0.242 1.040 ( 13.528 0.000 -2.842) 13.823 1.325 ( -1.424 -0.000 2.324) 2.726 1.438 ( 6.036 0.000 8.468) 10.399 1.549 ( -11.428 -0.000 2.081) 11.616 1.730 ( -4.840 -0.000 -5.708) 7.483 1.760 ( -7.465 -0.000 -7.113) 10.311 1.798 ( -3.406 -0.000 -1.598) 3.763 2.263 ( 16.562 0.000 2.092) 16.693 2.310 ( 5.216 0.000 -0.386) 5.230 2.548 ( 5.106 0.000 -3.149) 5.999 2.720 ( -8.089 -0.000 3.380) 8.767 2.735 ( -8.874 -0.000 1.701) 9.036 3.198 ( 13.186 0.000 10.767) 17.024 3.267 ( -0.918 -0.000 6.067) 6.136 3.373 ( -3.749 -0.000 -6.225) 7.267 3.442 ( 1.816 0.000 -5.684) 5.967 3.587 ( -7.158 -0.000 6.690) 9.797 3.688 ( -0.511 -0.000 -7.502) 7.519 3.928 ( -6.841 -0.000 -2.132) 7.166 4.024 ( 1.713 0.000 1.317) 2.161 4.087 ( 2.656 0.000 -1.674) 3.140 4.686 ( -8.085 -0.000 -10.133) 12.963 4.745 ( 0.674 0.000 4.001) 4.058 4.879 ( 4.498 0.000 -1.645) 4.790 5.118 ( -9.026 -0.000 -8.235) 12.218 5.232 ( 2.693 0.000 -0.948) 2.855 5.445 ( 5.239 0.000 6.583) 8.413 5.484 ( 4.671 0.000 -3.403) 5.779 5.643 ( 6.267 0.000 -0.855) 6.325 5.669 ( -2.174 -0.000 -0.119) 2.177 5.714 ( -0.823 -0.000 4.346) 4.423 5.931 ( -1.762 -0.000 -1.521) 2.327 6.038 ( 1.814 0.000 8.136) 8.336 6.123 ( 2.169 0.000 -1.427) 2.597 6.174 ( -3.768 -0.000 -7.458) 8.356 6.354 ( 4.579 0.000 0.869) 4.661 6.420 ( -7.244 -0.000 -0.564) 7.266 6.629 ( 3.184 0.000 10.800) 11.259 6.640 ( 8.149 0.000 6.764) 10.591 7.044 ( -12.857 -0.000 -5.075) 13.822 7.106 ( -0.835 -0.000 -1.156) 1.426 7.113 ( -4.994 -0.000 -4.651) 6.824 7.353 ( 1.123 0.000 2.871) 3.083 7.507 ( -0.432 -0.000 1.655) 1.710 7.630 ( 10.241 0.000 -14.023) 17.364 7.728 ( -6.107 -0.000 12.100) 13.553 7.807 ( -0.137 -0.000 -4.453) 4.455 8.606 ( 2.345 0.000 3.549) 4.254 8.691 ( -1.305 -0.000 -0.899) 1.585 8.767 ( -2.058 -0.000 0.076) 2.059 8.983 ( 1.824 0.000 1.024) 2.092 9.134 ( 1.914 0.000 -4.938) 5.296 9.352 ( 1.751 0.000 -2.703) 3.220 9.424 ( 0.202 0.000 5.983) 5.986 9.488 ( -4.756 -0.000 0.419) 4.775 10.109 ( 1.410 0.000 0.124) 1.416 10.294 ( 0.453 0.000 2.750) 2.787 11.150 ( -0.480 -0.000 -0.545) 0.726 11.252 ( 2.613 0.000 0.544) 2.669 11.983 ( -2.540 -0.000 4.358) 5.044 12.283 ( -1.340 -0.000 -1.255) 1.836 12.308 ( 0.607 0.000 -2.295) 2.374 12.569 ( -0.635 -0.000 0.156) 0.654 13.177 ( 2.433 0.000 0.887) 2.590 13.215 ( 5.688 0.000 8.329) 10.086 13.411 ( 0.263 0.000 0.421) 0.497 13.414 ( -3.851 -0.000 -6.721) 7.746 13.788 ( 6.629 0.000 2.804) 7.198 14.056 ( 1.391 0.000 -2.513) 2.872 14.075 ( 3.338 0.000 14.906) 15.275 14.276 ( -0.848 -0.000 -17.570) 17.591 14.612 ( -12.852 -0.000 -2.268) 13.051 15.251 ( 1.756 0.000 -3.911) 4.287 15.303 ( 4.982 0.000 4.889) 6.980 15.573 ( 0.718 0.000 -0.206) 0.747 15.666 ( 8.678 0.000 2.251) 8.965 17.010 ( -4.318 -0.000 0.960) 4.424 17.048 ( -0.024 -0.000 -6.728) 6.728 17.121 ( -3.825 -0.000 -3.889) 5.455 18.153 ( -3.749 -0.000 8.060) 8.889 18.633 ( 0.559 0.000 -0.433) 0.707 18.724 ( -1.020 -0.000 0.668) 1.219 18.866 ( 0.442 0.000 3.188) 3.218 19.346 ( -0.408 -0.000 -6.547) 6.560 19.399 ( -2.551 -0.000 1.076) 2.769 19.897 ( 1.726 0.000 -2.782) 3.274 20.009 ( 2.992 0.000 1.084) 3.183 20.012 ( -4.086 -0.000 2.229) 4.654 20.268 ( 1.846 0.000 -0.277) 1.867 20.589 ( 1.261 0.000 1.371) 1.863 20.614 ( -0.429 -0.000 -1.868) 1.917 21.321 ( 3.999 0.000 -4.061) 5.699 21.380 ( 8.413 0.000 8.687) 12.093 21.428 ( -2.294 -0.000 3.814) 4.450 21.697 ( -8.821 -0.000 -7.609) 11.650 22.226 ( -0.121 -0.000 0.594) 0.606 22.459 ( 0.793 0.000 -0.998) 1.275 22.508 ( 2.157 0.000 -0.653) 2.254 22.811 ( -2.493 -0.000 -1.330) 2.825 23.282 ( 1.096 0.000 0.768) 1.339 ======================= Grid point 13 (9/78) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -0.000 -15.472 0.000) 15.472 0.962 ( -0.000 -0.162 0.000) 0.162 1.274 ( -0.000 -6.942 0.000) 6.942 1.427 ( -0.000 -11.056 0.000) 11.056 1.487 ( -0.000 -1.031 0.000) 1.031 1.616 ( -0.000 -11.594 0.000) 11.594 1.621 ( 0.000 0.688 -0.000) 0.688 1.690 ( 0.000 1.084 -0.000) 1.084 1.794 ( -0.000 -1.795 0.000) 1.795 2.277 ( 0.000 8.113 -0.000) 8.113 2.347 ( 0.000 0.247 -0.000) 0.247 2.506 ( 0.000 4.148 -0.000) 4.148 2.597 ( 0.000 3.149 -0.000) 3.149 2.798 ( -0.000 -4.253 0.000) 4.253 3.061 ( 0.000 17.209 -0.000) 17.209 3.321 ( -0.000 -6.068 0.000) 6.068 3.452 ( 0.000 0.092 -0.000) 0.092 3.457 ( -0.000 -2.673 0.000) 2.673 3.532 ( -0.000 -1.065 0.000) 1.065 3.802 ( -0.000 -15.826 0.000) 15.826 3.958 ( -0.000 -2.202 0.000) 2.202 4.186 ( -0.000 -19.643 0.000) 19.643 4.197 ( -0.000 -8.968 0.000) 8.968 4.477 ( 0.000 27.432 -0.000) 27.432 4.567 ( 0.000 1.926 -0.000) 1.926 4.896 ( 0.000 8.867 -0.000) 8.867 4.939 ( -0.000 -0.133 0.000) 0.133 5.264 ( 0.000 1.803 -0.000) 1.803 5.398 ( 0.000 9.947 -0.000) 9.947 5.436 ( 0.000 8.545 -0.000) 8.545 5.614 ( 0.000 1.486 -0.000) 1.486 5.691 ( -0.000 -0.600 0.000) 0.600 5.878 ( 0.000 4.046 -0.000) 4.046 5.929 ( -0.000 -14.384 0.000) 14.384 6.009 ( 0.000 4.028 -0.000) 4.028 6.110 ( -0.000 -3.263 0.000) 3.263 6.248 ( -0.000 -3.557 0.000) 3.557 6.384 ( -0.000 -2.524 0.000) 2.524 6.426 ( -0.000 -6.772 0.000) 6.772 6.689 ( 0.000 3.288 -0.000) 3.288 6.752 ( -0.000 -0.970 0.000) 0.970 6.905 ( 0.000 8.370 -0.000) 8.370 6.930 ( -0.000 -4.083 0.000) 4.083 7.233 ( -0.000 -6.947 0.000) 6.947 7.304 ( 0.000 7.181 -0.000) 7.181 7.502 ( 0.000 1.120 -0.000) 1.120 7.675 ( 0.000 2.145 -0.000) 2.145 7.742 ( -0.000 -6.281 0.000) 6.281 7.833 ( -0.000 -3.773 0.000) 3.773 8.531 ( 0.000 9.753 -0.000) 9.753 8.609 ( 0.000 14.066 -0.000) 14.066 8.733 ( -0.000 -4.835 0.000) 4.835 8.967 ( 0.000 2.810 -0.000) 2.810 9.184 ( 0.000 15.823 -0.000) 15.823 9.220 ( -0.000 -7.455 0.000) 7.455 9.444 ( 0.000 0.680 -0.000) 0.680 9.468 ( -0.000 -2.201 0.000) 2.201 10.245 ( -0.000 -10.658 0.000) 10.658 10.282 ( 0.000 2.340 -0.000) 2.340 11.163 ( -0.000 -1.780 0.000) 1.780 11.221 ( 0.000 4.872 -0.000) 4.872 11.962 ( 0.000 1.430 -0.000) 1.430 12.300 ( -0.000 -0.313 0.000) 0.313 12.423 ( -0.000 -14.163 0.000) 14.163 12.594 ( -0.000 -3.104 0.000) 3.104 13.094 ( 0.000 7.452 -0.000) 7.452 13.234 ( 0.000 8.437 -0.000) 8.437 13.409 ( 0.000 1.874 -0.000) 1.874 13.422 ( -0.000 -9.349 0.000) 9.349 13.935 ( -0.000 -8.690 0.000) 8.690 14.044 ( 0.000 3.777 -0.000) 3.777 14.174 ( -0.000 -0.383 0.000) 0.383 14.204 ( -0.000 -1.834 0.000) 1.834 14.511 ( -0.000 -1.001 0.000) 1.001 15.257 ( -0.000 -0.412 0.000) 0.412 15.358 ( -0.000 -1.003 0.000) 1.003 15.585 ( -0.000 -0.726 0.000) 0.726 15.726 ( 0.000 0.500 -0.000) 0.500 16.857 ( 0.000 9.473 -0.000) 9.473 17.039 ( 0.000 0.169 -0.000) 0.169 17.176 ( -0.000 -6.401 0.000) 6.401 17.982 ( 0.000 14.968 -0.000) 14.968 18.650 ( -0.000 -1.603 0.000) 1.603 18.849 ( -0.000 -11.243 0.000) 11.243 18.861 ( 0.000 1.737 -0.000) 1.737 19.249 ( 0.000 7.725 -0.000) 7.725 19.398 ( -0.000 -1.611 0.000) 1.611 19.937 ( -0.000 -2.466 0.000) 2.466 19.941 ( 0.000 3.835 -0.000) 3.835 20.071 ( -0.000 -2.956 0.000) 2.956 20.353 ( -0.000 -8.396 0.000) 8.396 20.599 ( 0.000 0.889 -0.000) 0.889 20.609 ( -0.000 -0.984 0.000) 0.984 21.349 ( -0.000 -0.654 0.000) 0.654 21.407 ( 0.000 1.157 -0.000) 1.157 21.526 ( -0.000 -3.094 0.000) 3.094 21.590 ( -0.000 -1.256 0.000) 1.256 22.230 ( -0.000 -0.429 0.000) 0.429 22.460 ( 0.000 0.250 -0.000) 0.250 22.481 ( 0.000 4.157 -0.000) 4.157 22.804 ( -0.000 -1.202 0.000) 1.202 23.266 ( 0.000 2.731 -0.000) 2.731 ======================= Grid point 25 (10/78) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -9.744 -0.000 24.868) 26.709 0.545 ( 10.047 0.000 24.188) 26.191 1.007 ( -2.805 -0.000 31.011) 31.138 1.407 ( 0.547 0.000 -0.629) 0.834 1.463 ( 4.340 0.000 -0.301) 4.351 1.712 ( 15.983 0.000 1.178) 16.026 1.856 ( -0.347 -0.000 -0.332) 0.480 1.938 ( 12.525 0.000 1.034) 12.568 2.147 ( 5.315 0.000 7.183) 8.936 2.168 ( -2.119 -0.000 -3.966) 4.496 2.255 ( 3.416 0.000 0.393) 3.438 2.323 ( -6.290 -0.000 1.337) 6.431 2.483 ( -11.485 -0.000 10.599) 15.628 3.184 ( -2.949 -0.000 2.064) 3.600 3.243 ( 0.889 0.000 -2.298) 2.464 3.384 ( 8.080 0.000 5.440) 9.741 3.476 ( -17.788 -0.000 0.959) 17.814 3.605 ( -3.103 -0.000 3.800) 4.906 3.706 ( 2.611 0.000 7.046) 7.514 3.758 ( 0.008 0.000 2.462) 2.462 3.918 ( -2.923 -0.000 -3.485) 4.549 4.119 ( -10.081 -0.000 -2.785) 10.458 4.401 ( 0.847 0.000 -6.796) 6.849 4.626 ( -6.493 -0.000 -7.775) 10.130 4.714 ( -4.251 -0.000 -8.519) 9.521 4.980 ( 1.698 0.000 -5.841) 6.082 5.064 ( -2.181 -0.000 -3.939) 4.502 5.086 ( 6.123 0.000 -1.456) 6.293 5.280 ( 3.255 0.000 -0.171) 3.259 5.299 ( 5.774 0.000 -2.850) 6.439 5.377 ( -4.495 -0.000 -11.330) 12.189 5.563 ( 1.599 0.000 -11.019) 11.134 5.611 ( 8.291 0.000 12.027) 14.607 5.820 ( -3.952 -0.000 5.474) 6.752 5.913 ( 4.248 0.000 -0.193) 4.252 6.042 ( 1.678 0.000 0.709) 1.822 6.204 ( -3.552 -0.000 -2.190) 4.173 6.421 ( -1.977 -0.000 1.354) 2.396 6.452 ( 0.985 0.000 13.499) 13.535 6.709 ( 8.476 0.000 -5.528) 10.120 6.885 ( -8.943 -0.000 1.145) 9.016 7.146 ( 24.458 0.000 -0.399) 24.462 7.153 ( 18.040 0.000 3.082) 18.301 7.210 ( 6.146 0.000 -10.062) 11.790 7.282 ( -2.763 -0.000 -7.292) 7.798 7.370 ( -10.967 -0.000 -0.869) 11.001 7.559 ( -3.103 -0.000 6.396) 7.109 7.592 ( 4.398 0.000 -0.824) 4.475 7.686 ( 4.032 0.000 2.999) 5.025 8.070 ( -5.960 -0.000 5.753) 8.284 8.595 ( 1.929 0.000 3.759) 4.225 8.850 ( -9.946 -0.000 -4.685) 10.994 8.896 ( 5.166 0.000 -2.763) 5.858 9.051 ( -0.090 -0.000 1.472) 1.475 9.399 ( -0.769 -0.000 -2.152) 2.285 9.431 ( 3.713 0.000 8.353) 9.141 9.617 ( 1.275 0.000 -2.362) 2.684 9.988 ( 1.230 0.000 -2.832) 3.088 10.460 ( 2.543 0.000 -3.572) 4.385 11.132 ( -0.123 -0.000 1.447) 1.452 11.147 ( 0.620 0.000 -4.010) 4.058 11.659 ( 13.527 0.000 -22.533) 26.282 12.389 ( -1.772 -0.000 -6.626) 6.859 12.590 ( 0.981 0.000 -1.344) 1.664 12.642 ( -4.946 -0.000 18.882) 19.519 12.881 ( 6.022 0.000 4.372) 7.442 13.287 ( -3.169 -0.000 -0.572) 3.220 13.354 ( 10.070 0.000 2.421) 10.357 13.520 ( -1.392 -0.000 -4.654) 4.858 13.765 ( 16.838 0.000 1.429) 16.898 13.794 ( 4.463 0.000 1.409) 4.680 14.308 ( -9.514 -0.000 3.045) 9.990 14.433 ( -7.656 -0.000 -2.490) 8.051 14.535 ( -25.116 -0.000 -3.386) 25.343 15.098 ( 1.917 0.000 9.261) 9.457 15.284 ( 1.055 0.000 0.411) 1.132 15.610 ( -1.693 -0.000 2.772) 3.248 16.005 ( -46.844 -0.000 2.128) 46.892 16.703 ( 24.846 0.000 -5.672) 25.485 17.081 ( 0.656 0.000 2.907) 2.981 17.369 ( -3.942 -0.000 -1.201) 4.120 18.452 ( 13.757 0.000 -14.869) 20.257 18.613 ( -0.334 -0.000 -0.087) 0.345 18.779 ( 0.185 0.000 1.875) 1.884 18.961 ( 15.609 0.000 7.972) 17.527 19.503 ( 3.648 0.000 -4.835) 6.056 19.612 ( 5.644 0.000 0.420) 5.660 19.750 ( -36.248 -0.000 -0.986) 36.262 19.929 ( -3.664 -0.000 -1.029) 3.806 20.051 ( 2.509 0.000 -1.165) 2.766 20.198 ( -0.065 -0.000 2.195) 2.196 20.507 ( 1.814 0.000 0.481) 1.877 20.671 ( -3.126 -0.000 -3.287) 4.536 21.198 ( -1.978 -0.000 -4.977) 5.356 21.298 ( 12.720 0.000 1.319) 12.788 21.495 ( -0.007 -0.000 7.997) 7.997 21.807 ( -27.764 -0.000 3.026) 27.928 22.244 ( -2.886 -0.000 0.078) 2.887 22.249 ( 0.126 0.000 1.876) 1.880 22.425 ( 3.079 0.000 -0.826) 3.188 22.945 ( -0.808 -0.000 -2.292) 2.430 23.006 ( 13.494 0.000 -0.931) 13.526 ======================= Grid point 26 (11/78) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 4.650 -17.637 14.395) 23.236 0.935 ( 11.659 -11.887 14.546) 22.109 1.131 ( -0.872 -2.880 -4.117) 5.099 1.393 ( -0.298 0.550 2.802) 2.870 1.571 ( 1.567 -6.837 6.164) 9.338 1.720 ( -0.562 4.189 -0.033) 4.227 1.782 ( -0.938 5.138 -0.193) 5.227 1.954 ( -4.429 8.033 8.680) 12.628 1.989 ( -6.066 -3.291 5.528) 8.842 2.212 ( -10.103 2.845 1.959) 10.677 2.267 ( -2.778 -2.624 6.371) 7.430 2.366 ( 5.890 1.135 2.810) 6.624 2.516 ( 13.026 2.019 -1.392) 13.255 2.970 ( -8.254 9.867 5.297) 13.913 3.217 ( -4.125 2.039 -0.421) 4.620 3.368 ( -9.359 -7.468 -2.040) 12.146 3.460 ( 2.128 9.340 5.922) 11.262 3.512 ( -3.174 -1.401 5.169) 6.225 3.799 ( 6.053 -0.602 4.707) 7.692 3.840 ( -4.005 -8.231 1.431) 9.265 3.999 ( -6.728 -7.007 0.430) 9.724 4.103 ( -1.425 -14.674 -3.798) 15.224 4.318 ( -6.082 -2.696 -12.445) 14.111 4.541 ( -2.604 6.829 -5.754) 9.302 4.663 ( 3.806 -0.473 0.336) 3.850 4.788 ( 4.393 10.397 -3.483) 11.812 4.851 ( -0.094 17.713 -3.327) 18.023 5.155 ( 0.477 3.606 -5.414) 6.522 5.234 ( -0.024 1.786 -16.950) 17.044 5.318 ( 3.963 4.712 -0.255) 6.163 5.427 ( 6.015 -10.742 -1.829) 12.446 5.625 ( 4.728 -5.489 4.046) 8.298 5.804 ( -1.648 -1.099 -5.204) 5.568 5.877 ( 8.991 -1.966 5.618) 10.783 5.990 ( -1.680 4.313 -4.349) 6.352 6.102 ( 1.783 -11.942 -1.193) 12.133 6.241 ( 0.306 -2.793 7.406) 7.921 6.418 ( -2.459 -3.315 5.074) 6.541 6.440 ( -0.414 3.116 8.040) 8.632 6.714 ( -5.926 7.076 0.058) 9.230 6.867 ( 3.180 -3.663 -1.251) 5.010 7.017 ( -3.070 5.392 -1.639) 6.417 7.093 ( -3.840 9.109 -8.516) 13.048 7.179 ( 7.250 2.925 -8.694) 11.693 7.324 ( 1.633 -2.884 -3.346) 4.710 7.500 ( 3.641 2.417 3.800) 5.791 7.602 ( 7.706 -7.721 -4.603) 11.840 7.774 ( 10.799 5.465 6.275) 13.633 7.825 ( 11.966 -4.033 1.579) 12.726 8.047 ( -12.174 -5.917 6.205) 14.890 8.540 ( 1.362 9.860 0.381) 9.961 8.744 ( -2.230 0.522 -1.076) 2.530 8.882 ( 0.427 6.317 -0.984) 6.407 9.064 ( 1.800 -3.518 -3.054) 4.994 9.368 ( -1.896 0.310 -3.661) 4.135 9.485 ( 2.279 6.373 2.802) 7.325 9.584 ( -1.299 -1.709 6.479) 6.825 10.098 ( 2.483 -7.297 -3.641) 8.524 10.367 ( -0.723 4.039 -0.038) 4.103 11.134 ( 0.736 0.986 1.172) 1.699 11.148 ( 0.734 -1.156 -3.377) 3.644 11.640 ( 8.845 3.441 -20.214) 22.331 12.501 ( -4.809 -9.307 -3.942) 11.193 12.610 ( -0.705 -2.218 -0.030) 2.327 12.740 ( -3.208 -7.529 5.284) 9.741 12.906 ( 5.932 5.533 3.789) 8.953 13.171 ( -1.839 6.781 -0.474) 7.042 13.381 ( 5.209 5.901 -0.169) 7.873 13.519 ( -0.450 -3.700 -1.819) 4.147 13.851 ( 0.125 0.408 3.187) 3.216 14.106 ( -0.276 -9.539 -5.678) 11.105 14.219 ( -14.834 -8.339 6.038) 18.057 14.340 ( -2.080 -6.271 -4.220) 7.840 14.421 ( 4.088 -0.783 1.445) 4.406 15.154 ( 2.850 1.128 6.611) 7.287 15.287 ( -4.289 -1.526 1.010) 4.663 15.583 ( -8.447 0.666 4.274) 9.490 15.657 ( -8.239 0.135 11.973) 14.535 16.880 ( 11.219 -0.433 -12.429) 16.749 17.093 ( 0.260 0.428 1.701) 1.773 17.316 ( -5.020 -1.841 -2.323) 5.830 18.047 ( 4.624 30.719 5.549) 31.556 18.652 ( -2.158 -2.580 -1.491) 3.679 18.831 ( 0.480 -3.675 2.416) 4.424 18.959 ( 3.059 8.482 11.638) 14.722 19.223 ( -9.296 3.410 -0.384) 9.909 19.547 ( 0.932 1.975 -4.867) 5.334 19.744 ( 5.526 -1.572 -0.095) 5.746 19.946 ( 1.329 -2.060 -1.831) 3.060 20.143 ( -1.730 -0.890 -0.718) 2.074 20.496 ( -2.710 -14.910 -7.937) 17.107 20.564 ( 0.349 -6.122 -2.044) 6.463 20.623 ( -7.268 -5.618 -3.686) 9.898 21.070 ( -0.612 7.332 -3.503) 8.149 21.379 ( -6.027 -4.872 5.507) 9.507 21.523 ( -2.069 0.786 7.377) 7.702 21.827 ( 10.263 -3.242 -3.366) 11.277 22.215 ( -0.367 0.128 -1.938) 1.977 22.269 ( -0.544 -1.254 1.849) 2.299 22.465 ( 3.135 -0.049 1.424) 3.444 22.898 ( -1.899 1.504 -1.958) 3.115 23.106 ( 6.647 1.612 -3.463) 7.667 ======================= Grid point 27 (12/78) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -3.705 5.388 -5.435) 8.503 1.204 ( 3.089 -7.571 4.069) 9.133 1.303 ( -0.634 -0.798 3.027) 3.194 1.421 ( 5.088 -5.646 5.885) 9.613 1.552 ( -1.588 12.329 1.716) 12.548 1.617 ( -2.358 -0.789 -4.422) 5.073 1.750 ( -2.415 -1.186 -1.453) 3.058 1.825 ( -4.054 3.043 -4.286) 6.638 2.026 ( -4.416 -4.665 4.782) 8.008 2.082 ( -8.419 -3.404 13.953) 16.648 2.389 ( 1.000 -5.426 8.171) 9.859 2.486 ( 4.343 -4.447 0.033) 6.215 2.524 ( 6.355 9.328 1.782) 11.427 2.793 ( -5.891 2.845 4.154) 7.750 3.222 ( -3.183 1.389 12.448) 12.923 3.352 ( -1.526 -5.437 -2.330) 6.109 3.454 ( -2.502 0.459 5.494) 6.055 3.481 ( -2.245 -5.724 7.050) 9.354 3.799 ( -8.079 -3.209 -4.274) 9.687 3.882 ( 2.928 3.076 2.871) 5.127 4.100 ( -1.135 3.354 4.351) 5.610 4.125 ( 1.988 9.029 -0.713) 9.273 4.323 ( 2.356 -6.330 -2.694) 7.271 4.456 ( 2.051 0.475 -3.538) 4.117 4.550 ( -1.841 0.077 0.865) 2.035 4.755 ( -2.674 -8.596 -5.185) 10.388 4.860 ( 4.146 -7.688 -5.718) 10.440 5.007 ( 4.118 10.130 -7.061) 13.016 5.172 ( 2.269 3.422 -9.177) 10.054 5.302 ( 0.627 2.958 -0.007) 3.024 5.607 ( -3.235 -6.670 -6.527) 9.877 5.719 ( 4.643 0.367 3.516) 5.836 5.790 ( 1.906 -0.420 -7.084) 7.348 5.901 ( 0.574 -0.868 -3.067) 3.239 6.032 ( 3.430 0.037 6.140) 7.033 6.106 ( -6.950 1.759 3.100) 7.810 6.345 ( 4.642 -0.807 1.105) 4.839 6.410 ( -2.807 5.219 6.568) 8.846 6.498 ( -2.295 -4.673 -1.474) 5.411 6.600 ( 2.029 2.614 0.291) 3.322 6.798 ( -0.688 3.893 -9.973) 10.728 6.890 ( 4.402 8.518 -6.013) 11.317 6.992 ( 1.275 -1.704 0.577) 2.205 7.254 ( 5.913 -2.038 -8.198) 10.311 7.380 ( -1.647 -4.324 0.071) 4.627 7.482 ( -6.505 -2.319 3.144) 7.588 7.708 ( -4.105 1.808 5.357) 6.987 7.892 ( 17.640 0.900 -3.344) 17.977 7.984 ( -14.218 -2.031 10.235) 17.636 8.004 ( 2.331 -5.072 1.795) 5.863 8.380 ( 1.943 7.799 -2.155) 8.322 8.721 ( 2.755 6.019 2.702) 7.150 8.786 ( 0.562 -0.103 -4.028) 4.068 9.158 ( 2.999 -4.715 -3.042) 6.363 9.284 ( -5.294 1.717 -4.999) 7.481 9.413 ( 1.406 3.381 0.579) 3.707 9.628 ( -2.009 0.387 10.000) 10.208 10.189 ( 1.744 -0.938 -0.876) 2.166 10.345 ( 1.127 -0.948 -5.257) 5.459 11.132 ( 0.240 0.737 2.072) 2.212 11.165 ( 0.709 -1.212 -3.645) 3.906 11.616 ( 7.449 1.435 -20.360) 21.727 12.554 ( -3.318 -4.443 3.407) 6.509 12.638 ( -0.380 -1.503 -1.968) 2.505 12.744 ( -2.522 3.146 10.732) 11.464 12.922 ( 0.013 0.924 -7.524) 7.580 13.117 ( 1.798 -3.092 0.503) 3.612 13.367 ( 6.020 4.428 2.785) 7.975 13.585 ( -0.042 -2.734 -0.839) 2.860 13.702 ( -3.845 7.904 -4.833) 10.031 14.099 ( -5.740 5.428 1.352) 8.015 14.284 ( 6.243 -5.397 8.513) 11.857 14.414 ( -15.159 -16.393 0.619) 22.336 14.582 ( 11.049 0.871 -3.731) 11.694 15.178 ( 0.486 2.564 2.704) 3.758 15.255 ( -3.679 -2.629 0.530) 4.553 15.496 ( -1.126 2.446 4.807) 5.510 15.731 ( 1.377 -3.351 13.780) 14.249 16.929 ( 0.425 -3.480 -13.278) 13.733 17.073 ( -3.771 -0.552 -2.658) 4.646 17.304 ( -1.880 -2.889 0.596) 3.498 17.737 ( 4.312 16.956 5.675) 18.393 18.673 ( -0.647 -2.468 0.385) 2.580 18.856 ( 0.682 4.239 7.012) 8.222 19.003 ( -0.268 -4.077 2.540) 4.811 19.089 ( -3.386 0.685 -1.622) 3.817 19.504 ( 1.446 1.951 -4.896) 5.466 19.782 ( 1.081 0.872 -1.826) 2.294 19.984 ( 0.988 -1.053 -4.287) 4.524 20.157 ( 0.131 -1.690 2.271) 2.834 20.550 ( -0.324 1.328 -3.414) 3.677 20.587 ( 1.375 -2.708 -0.695) 3.116 20.719 ( -7.442 -12.692 -3.666) 15.163 20.948 ( 7.373 9.835 -3.069) 12.669 21.405 ( -2.199 -1.475 5.779) 6.356 21.483 ( -2.719 3.114 4.744) 6.293 21.973 ( 1.834 -6.020 -1.624) 6.499 22.214 ( 2.320 0.635 -1.960) 3.103 22.293 ( -0.006 -1.482 -0.129) 1.488 22.511 ( 1.081 -0.409 3.329) 3.524 22.842 ( -2.191 0.327 -2.386) 3.256 23.121 ( 3.201 2.054 -3.706) 5.310 ======================= Grid point 28 (13/78) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -1.492 5.589 -4.398) 7.267 1.048 ( -9.979 10.064 3.260) 14.543 1.259 ( -2.154 10.772 7.842) 13.497 1.376 ( 3.351 2.503 2.403) 4.824 1.570 ( -4.547 -1.376 -1.002) 4.855 1.596 ( 2.151 1.668 -3.897) 4.754 1.735 ( -2.722 -5.717 0.661) 6.367 1.833 ( 4.160 -2.935 -2.655) 5.742 2.009 ( -6.776 2.589 4.681) 8.633 2.220 ( -6.084 -12.761 14.975) 20.594 2.421 ( -0.640 4.157 -0.672) 4.260 2.447 ( 5.696 9.203 4.019) 11.545 2.529 ( -2.615 1.860 -1.730) 3.646 2.851 ( 2.143 -10.937 7.985) 13.711 3.078 ( -5.036 5.219 6.758) 9.913 3.388 ( 0.975 11.391 8.741) 14.391 3.455 ( -0.919 -5.743 -1.040) 5.909 3.520 ( -2.482 3.618 5.164) 6.776 3.803 ( 1.309 1.029 -2.543) 3.040 3.912 ( 0.987 -7.168 1.895) 7.480 4.087 ( 6.165 7.051 4.786) 10.518 4.141 ( 2.424 -12.471 0.477) 12.714 4.393 ( 3.419 2.419 3.329) 5.350 4.488 ( -9.579 -6.039 -1.710) 11.452 4.630 ( 7.942 -9.594 0.271) 12.458 4.810 ( -0.604 6.443 -7.785) 10.123 4.901 ( 3.012 5.303 -2.023) 6.426 5.043 ( 0.240 -11.462 -4.718) 12.398 5.175 ( -1.017 -12.180 -6.606) 13.893 5.212 ( -4.634 -0.965 -4.307) 6.400 5.590 ( -3.576 -2.722 -5.752) 7.299 5.697 ( -4.036 4.712 -9.445) 11.301 5.838 ( -4.083 10.662 5.756) 12.786 5.893 ( 6.470 -1.389 -1.248) 6.734 5.953 ( -0.748 -5.058 2.870) 5.864 6.168 ( 1.995 1.919 5.267) 5.950 6.215 ( -0.188 7.672 -3.816) 8.571 6.398 ( 1.532 7.727 5.522) 9.620 6.447 ( 1.717 6.124 -2.226) 6.739 6.582 ( 1.356 -2.615 -3.922) 4.905 6.820 ( 6.331 -1.582 -3.880) 7.592 6.871 ( 5.918 -1.729 -7.715) 9.876 7.012 ( -2.128 -1.864 -6.374) 6.974 7.264 ( -4.254 -2.188 -7.301) 8.729 7.423 ( -4.312 -4.587 0.770) 6.343 7.469 ( -6.987 -4.464 4.819) 9.590 7.586 ( -3.242 7.983 4.693) 9.812 7.826 ( -3.174 8.871 3.623) 10.094 7.949 ( -4.117 2.139 0.632) 4.683 8.169 ( 7.006 -2.618 2.706) 7.953 8.360 ( 1.295 -3.067 1.026) 3.483 8.692 ( 0.140 -1.847 0.766) 2.005 8.834 ( 4.785 -1.236 -1.563) 5.183 9.163 ( -5.763 0.453 -6.313) 8.560 9.279 ( 1.043 -7.163 -0.570) 7.261 9.396 ( 1.306 1.089 -0.623) 1.811 9.599 ( -1.163 4.832 8.210) 9.597 10.187 ( -0.231 1.398 -1.122) 1.807 10.327 ( 2.177 3.054 -5.455) 6.620 11.133 ( -0.956 -0.155 2.409) 2.596 11.169 ( 0.658 -0.179 -4.118) 4.174 11.596 ( 6.825 1.282 -20.055) 21.223 12.607 ( 0.323 -1.767 1.914) 2.625 12.620 ( -1.869 1.754 6.903) 7.364 12.729 ( -1.784 0.916 7.411) 7.678 12.862 ( 4.426 2.660 -11.445) 12.556 13.216 ( -2.549 -7.434 -3.266) 8.510 13.356 ( -5.000 6.355 5.297) 9.666 13.490 ( 9.202 5.509 -1.027) 10.774 13.681 ( 5.221 1.412 -5.303) 7.575 13.927 ( -2.926 7.170 1.121) 7.825 14.420 ( -3.041 -2.723 8.913) 9.803 14.566 ( 2.186 -7.682 -7.001) 10.621 14.609 ( -4.717 -3.533 7.851) 9.817 15.121 ( -2.081 1.647 -1.740) 3.173 15.275 ( 3.279 1.423 -0.838) 3.671 15.517 ( 4.636 0.663 5.234) 7.023 15.904 ( 5.163 -3.500 22.017) 22.884 16.866 ( -18.015 -9.565 -20.390) 28.841 17.030 ( -0.365 0.073 -0.323) 0.493 17.366 ( 0.240 -3.715 5.001) 6.235 17.593 ( 2.408 7.564 4.863) 9.309 18.716 ( 0.929 -1.282 1.782) 2.384 18.811 ( -0.304 3.584 4.620) 5.856 18.920 ( -2.243 5.696 -0.765) 6.169 19.219 ( 0.014 -10.953 2.851) 11.318 19.483 ( 3.021 1.174 -5.511) 6.393 19.745 ( -1.836 1.124 -3.243) 3.893 19.980 ( -0.548 -0.566 -2.977) 3.080 20.191 ( -1.014 -1.111 2.019) 2.517 20.512 ( 0.354 1.474 -1.824) 2.371 20.642 ( 0.822 -2.300 -2.299) 3.354 20.800 ( -5.858 -7.623 -4.544) 10.634 20.921 ( 21.835 13.327 0.413) 25.584 21.391 ( -2.574 3.520 0.163) 4.364 21.435 ( -1.347 -0.216 7.195) 7.323 22.080 ( -2.639 -7.658 0.373) 8.109 22.231 ( 2.757 0.728 0.370) 2.876 22.316 ( -0.213 -1.907 -1.586) 2.490 22.515 ( -4.372 -0.633 2.339) 4.999 22.821 ( -0.862 -1.234 -2.293) 2.743 23.083 ( 1.116 3.424 -5.072) 6.221 ======================= Grid point 29 (14/78) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -5.562 12.528 12.646) 18.650 0.738 ( -8.604 14.455 14.598) 22.272 1.228 ( -4.430 11.991 8.680) 15.452 1.283 ( -3.892 8.977 17.428) 19.986 1.422 ( 2.365 2.377 0.477) 3.387 1.577 ( 2.299 1.278 -4.549) 5.255 1.800 ( -3.471 -5.576 0.812) 6.618 1.884 ( -1.891 0.996 7.213) 7.523 1.986 ( 4.990 -5.377 0.121) 7.337 2.303 ( 0.032 6.202 -3.105) 6.936 2.365 ( -6.969 5.568 -3.373) 9.537 2.390 ( -1.125 -0.677 -0.071) 1.314 2.440 ( -4.343 -6.395 14.632) 16.548 3.093 ( -0.458 -8.157 2.830) 8.646 3.203 ( 11.689 -8.036 5.507) 15.216 3.286 ( -0.825 1.038 1.264) 1.832 3.464 ( -0.687 1.160 4.196) 4.407 3.553 ( -1.559 -6.551 3.395) 7.541 3.756 ( 0.419 2.473 -3.985) 4.708 3.841 ( -2.892 12.151 5.866) 13.799 4.094 ( 4.940 5.347 2.493) 7.695 4.209 ( -1.829 11.284 -3.567) 11.975 4.451 ( 1.548 -13.623 -3.731) 14.209 4.605 ( -6.519 -0.068 -3.007) 7.180 4.768 ( 0.473 -11.092 1.327) 11.181 4.799 ( -4.700 -6.075 -6.198) 9.870 4.869 ( 0.930 -11.606 -4.130) 12.355 5.148 ( 4.291 -1.013 -2.341) 4.992 5.224 ( -0.537 -6.595 -3.247) 7.370 5.387 ( -1.419 -5.925 -12.032) 13.487 5.416 ( -2.065 13.694 1.131) 13.895 5.563 ( -2.539 1.895 -2.047) 3.772 5.711 ( 0.464 2.780 -4.569) 5.368 5.845 ( -0.636 0.770 -2.466) 2.661 6.000 ( 0.026 6.998 0.565) 7.021 6.104 ( -1.944 5.883 -0.599) 6.225 6.220 ( 1.995 -0.384 7.516) 7.785 6.319 ( 1.076 1.793 0.865) 2.263 6.397 ( 6.181 0.253 12.516) 13.961 6.674 ( 11.224 -0.367 -4.943) 12.269 6.817 ( -3.686 3.806 -12.022) 13.138 6.927 ( -1.220 -3.189 -3.284) 4.738 7.067 ( 4.577 -7.774 -5.555) 10.595 7.217 ( -7.573 -6.757 -4.985) 11.308 7.374 ( -9.373 3.553 1.219) 10.098 7.432 ( -5.444 -2.480 1.384) 6.140 7.517 ( 3.566 2.134 3.069) 5.166 7.696 ( -0.692 4.428 2.185) 4.987 7.793 ( -7.186 7.055 -0.405) 10.078 8.171 ( -0.516 7.471 5.382) 9.222 8.487 ( 0.817 -7.582 2.014) 7.887 8.807 ( 2.798 -6.101 0.129) 6.713 8.913 ( -1.994 -5.017 1.061) 5.502 9.061 ( -2.061 1.783 -7.247) 7.743 9.385 ( 2.331 0.243 0.577) 2.414 9.409 ( -1.343 -2.058 3.810) 4.534 9.554 ( 2.219 0.584 0.844) 2.445 10.103 ( 0.066 7.321 -5.088) 8.916 10.320 ( 3.608 -2.207 2.142) 4.741 11.132 ( -1.404 -0.467 1.574) 2.160 11.158 ( 0.956 0.415 -3.858) 3.996 11.583 ( 7.759 0.297 -18.693) 20.242 12.582 ( 2.836 4.114 -3.000) 5.828 12.626 ( -6.791 1.012 15.594) 17.039 12.751 ( 8.868 14.962 -8.552) 19.381 12.766 ( 0.129 -2.737 -4.362) 5.151 13.224 ( -0.605 0.539 5.541) 5.600 13.281 ( -3.005 -5.324 -2.459) 6.590 13.578 ( 4.237 0.638 -0.830) 4.364 13.640 ( 10.083 9.471 1.410) 13.905 13.830 ( 4.941 6.605 -1.584) 8.399 14.406 ( -7.602 -0.025 5.460) 9.360 14.516 ( -9.561 -3.246 -1.361) 10.189 14.747 ( -0.607 -3.822 -5.623) 6.826 15.066 ( 0.952 2.834 1.028) 3.161 15.278 ( 3.432 2.551 -0.604) 4.319 15.594 ( 3.099 -0.044 3.073) 4.365 16.248 ( 24.311 -3.621 24.281) 34.550 16.589 ( -41.390 -12.391 -22.186) 48.569 17.050 ( 1.067 -0.734 1.997) 2.380 17.416 ( -1.417 0.748 1.415) 2.138 17.734 ( 5.321 -21.009 20.787) 30.030 18.715 ( 0.529 4.132 -0.094) 4.167 18.794 ( 0.356 1.284 1.928) 2.343 18.819 ( 0.049 2.218 3.760) 4.365 19.416 ( -2.050 -9.910 3.671) 10.765 19.499 ( 3.509 -2.818 -5.569) 7.160 19.692 ( -2.846 -1.028 -2.051) 3.655 19.965 ( -1.932 -0.293 -0.610) 2.048 20.189 ( -1.656 -0.392 0.651) 1.822 20.495 ( 1.127 1.076 -0.763) 1.735 20.628 ( 1.917 6.554 -11.965) 13.776 20.755 ( 6.953 11.226 -5.868) 14.450 21.048 ( 18.801 4.416 3.470) 19.622 21.294 ( -0.660 3.961 -1.367) 4.242 21.463 ( 0.211 0.201 7.786) 7.791 22.144 ( -12.167 -9.655 -5.231) 16.390 22.254 ( 0.697 0.542 1.196) 1.487 22.343 ( -7.021 -4.697 -1.402) 8.563 22.420 ( -7.578 1.612 -5.326) 9.402 22.835 ( 2.585 -0.456 2.588) 3.686 23.005 ( 1.760 4.277 -4.587) 6.514 ======================= Grid point 31 (15/78) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 9.221 0.000 16.197) 18.638 1.015 ( -2.849 -0.000 1.885) 3.416 1.122 ( 7.883 0.000 3.942) 8.814 1.391 ( -1.730 -0.000 1.007) 2.002 1.498 ( -9.379 -0.000 1.253) 9.463 1.762 ( 5.040 0.000 2.915) 5.822 1.795 ( -4.730 -0.000 -4.535) 6.553 1.911 ( -0.382 -0.000 8.571) 8.580 2.011 ( -11.291 -0.000 2.323) 11.528 2.090 ( -15.045 -0.000 16.597) 22.401 2.166 ( -0.062 -0.000 -1.498) 1.500 2.429 ( 3.622 0.000 -0.523) 3.660 2.851 ( 17.071 0.000 -0.931) 17.096 3.011 ( -9.265 -0.000 -3.327) 9.844 3.066 ( -8.659 -0.000 5.971) 10.518 3.309 ( 3.867 0.000 -0.196) 3.872 3.404 ( -7.113 -0.000 1.831) 7.345 3.532 ( -6.413 -0.000 8.390) 10.560 3.704 ( -8.273 -0.000 -5.161) 9.751 3.853 ( 1.240 0.000 8.454) 8.544 3.937 ( 2.028 0.000 1.247) 2.381 3.956 ( 4.308 0.000 3.247) 5.395 4.075 ( -8.183 -0.000 -9.292) 12.382 4.582 ( 2.432 0.000 -6.665) 7.094 4.726 ( 3.715 0.000 -1.387) 3.965 4.840 ( -4.502 -0.000 -16.176) 16.791 5.033 ( 5.615 0.000 -6.800) 8.818 5.188 ( -5.569 -0.000 -9.103) 10.672 5.262 ( 6.818 0.000 -2.071) 7.125 5.376 ( 5.700 0.000 3.926) 6.921 5.411 ( 8.807 0.000 -5.528) 10.398 5.670 ( 6.978 0.000 1.431) 7.124 5.733 ( -3.125 -0.000 -3.433) 4.642 5.950 ( -1.003 -0.000 -4.185) 4.303 6.029 ( 9.258 0.000 9.982) 13.615 6.150 ( 0.184 0.000 -0.868) 0.887 6.205 ( 7.936 0.000 9.223) 12.167 6.295 ( -12.479 -0.000 6.043) 13.865 6.507 ( 1.499 0.000 2.358) 2.794 6.759 ( -7.886 -0.000 8.118) 11.318 6.796 ( -1.883 -0.000 1.657) 2.509 7.049 ( 3.593 0.000 -5.558) 6.618 7.060 ( -3.594 -0.000 -9.344) 10.011 7.155 ( -2.230 -0.000 -11.811) 12.019 7.359 ( -1.957 -0.000 0.027) 1.957 7.433 ( 1.345 0.000 -7.577) 7.695 7.521 ( -0.659 -0.000 -0.063) 0.662 7.873 ( -11.454 -0.000 5.646) 12.770 7.881 ( 4.805 0.000 9.448) 10.600 8.307 ( 26.968 0.000 -11.838) 29.452 8.648 ( -1.170 -0.000 -8.182) 8.265 8.724 ( 4.536 0.000 2.972) 5.423 8.952 ( 2.241 0.000 -5.488) 5.928 9.003 ( -4.232 -0.000 2.686) 5.012 9.327 ( -2.159 -0.000 -4.478) 4.972 9.583 ( -2.554 -0.000 -0.977) 2.734 9.588 ( 0.919 0.000 11.498) 11.535 10.029 ( 3.288 0.000 -2.392) 4.066 10.384 ( -3.502 -0.000 1.127) 3.679 11.120 ( 0.410 0.000 -4.217) 4.237 11.184 ( 2.870 0.000 1.512) 3.244 11.704 ( 7.136 0.000 -23.836) 24.881 12.273 ( -1.621 -0.000 -6.050) 6.264 12.589 ( -0.366 -0.000 -0.482) 0.606 12.659 ( -6.484 -0.000 17.491) 18.654 13.130 ( 7.953 0.000 6.422) 10.222 13.219 ( -1.243 -0.000 1.259) 1.769 13.412 ( -2.826 -0.000 -7.530) 8.043 13.501 ( -5.178 -0.000 10.310) 11.537 13.764 ( -0.119 -0.000 5.162) 5.163 13.974 ( 7.158 0.000 -1.895) 7.404 14.019 ( -8.947 -0.000 4.585) 10.053 14.276 ( -3.330 -0.000 4.620) 5.695 14.641 ( 16.895 0.000 -5.806) 17.865 15.195 ( -7.765 -0.000 0.321) 7.772 15.235 ( 3.470 0.000 5.035) 6.115 15.545 ( -1.760 -0.000 3.244) 3.690 15.654 ( -0.092 -0.000 11.789) 11.789 16.900 ( 3.342 0.000 -13.601) 14.006 17.105 ( -0.901 -0.000 2.786) 2.928 17.214 ( -5.773 -0.000 -1.846) 6.061 18.279 ( -5.931 -0.000 -15.363) 16.468 18.615 ( 0.446 0.000 -0.013) 0.446 18.777 ( -1.546 -0.000 1.673) 2.278 19.112 ( -13.871 -0.000 9.268) 16.683 19.248 ( 4.079 0.000 4.622) 6.164 19.474 ( -2.523 -0.000 -3.249) 4.114 19.843 ( -1.219 -0.000 -2.115) 2.441 19.851 ( 8.356 0.000 -0.947) 8.410 20.087 ( 0.580 0.000 -4.094) 4.135 20.232 ( 0.553 0.000 4.854) 4.885 20.565 ( 1.847 0.000 1.069) 2.134 20.578 ( -0.177 -0.000 -3.653) 3.657 21.165 ( 3.005 0.000 -4.065) 5.055 21.341 ( 2.435 0.000 9.480) 9.787 21.555 ( -1.229 -0.000 7.411) 7.512 21.810 ( -2.993 -0.000 -4.121) 5.093 22.234 ( 4.925 0.000 -6.399) 8.075 22.261 ( -0.733 -0.000 2.465) 2.572 22.520 ( 3.346 0.000 3.275) 4.682 22.860 ( -3.190 -0.000 -3.385) 4.651 23.186 ( 4.810 0.000 -4.462) 6.561 ======================= Grid point 32 (16/78) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -10.546 -0.716 -7.246) 12.815 1.080 ( 2.316 -9.370 4.887) 10.819 1.212 ( -6.320 -6.066 8.514) 12.216 1.411 ( -1.942 -4.929 1.356) 5.469 1.474 ( 3.839 -1.773 1.843) 4.613 1.711 ( -3.432 -0.627 -5.386) 6.417 1.741 ( -3.494 4.429 -2.922) 6.353 1.873 ( -9.387 -1.739 4.986) 10.770 1.964 ( 11.177 9.490 -3.188) 15.005 2.000 ( -8.682 -5.107 20.389) 22.741 2.270 ( -0.158 -6.510 4.043) 7.665 2.474 ( 2.334 -2.601 -1.056) 3.651 2.713 ( -4.832 6.883 0.550) 8.428 2.968 ( -0.405 15.387 2.703) 15.628 3.094 ( -2.504 -4.371 8.356) 9.757 3.237 ( 2.518 -6.408 0.688) 6.920 3.423 ( -3.309 -1.008 0.304) 3.473 3.530 ( -4.747 -1.389 3.884) 6.289 3.596 ( -2.559 1.627 1.832) 3.543 3.982 ( -2.587 -8.269 7.132) 11.223 4.001 ( -0.110 -2.872 3.228) 4.322 4.063 ( 4.577 -12.733 -1.240) 13.587 4.192 ( 0.122 -14.927 -2.111) 15.077 4.517 ( 0.323 9.196 -1.603) 9.340 4.636 ( -6.018 5.692 -9.408) 12.535 4.712 ( 5.042 9.668 -4.947) 11.974 4.895 ( 0.814 9.124 -3.148) 9.686 5.167 ( 4.737 -2.738 -6.271) 8.322 5.229 ( 5.695 8.996 -5.197) 11.848 5.445 ( 5.304 4.030 2.494) 7.113 5.489 ( 1.020 1.471 -8.324) 8.515 5.725 ( 0.706 -1.811 -6.080) 6.384 5.783 ( 3.477 -3.634 -0.183) 5.033 5.927 ( 0.513 1.255 -2.425) 2.779 6.046 ( -3.044 0.486 6.345) 7.054 6.149 ( 2.556 1.613 5.291) 6.093 6.291 ( -0.861 -6.704 6.336) 9.264 6.420 ( -1.270 -3.174 2.368) 4.159 6.510 ( 1.150 -0.731 0.511) 1.456 6.632 ( 0.530 2.910 7.913) 8.448 6.840 ( -7.199 0.317 0.075) 7.206 6.863 ( -0.343 3.386 -8.438) 9.099 7.041 ( 3.012 5.456 -14.498) 15.781 7.158 ( -3.906 -6.040 -4.054) 8.256 7.293 ( -8.011 -5.333 1.895) 9.809 7.410 ( 5.124 5.241 -5.517) 9.174 7.646 ( 3.267 -8.339 0.072) 8.956 7.788 ( -9.452 -3.094 4.643) 10.976 7.978 ( 1.765 -1.240 10.203) 10.429 8.356 ( 13.599 14.109 -4.806) 20.177 8.579 ( 4.530 10.019 -5.387) 12.245 8.739 ( -1.889 -1.503 -0.823) 2.550 8.894 ( 2.532 5.879 2.074) 6.728 9.057 ( 1.445 -7.285 -6.073) 9.593 9.241 ( -4.067 4.535 -4.788) 7.748 9.479 ( -2.491 4.576 0.628) 5.248 9.649 ( -1.773 -1.131 11.305) 11.499 10.151 ( 3.579 -7.164 -3.299) 8.662 10.330 ( -1.589 1.641 -0.541) 2.347 11.125 ( 0.871 -1.570 -4.212) 4.578 11.200 ( 2.153 3.006 2.312) 4.361 11.652 ( 6.603 2.358 -21.624) 22.732 12.373 ( -0.336 -12.195 -7.801) 14.480 12.581 ( -2.455 -0.728 3.706) 4.505 12.691 ( -6.663 -3.864 14.091) 16.059 13.058 ( 2.903 10.176 2.373) 10.845 13.210 ( 1.636 8.234 0.962) 8.450 13.387 ( 1.606 -6.080 -2.405) 6.733 13.536 ( -5.328 -2.278 6.568) 8.759 13.825 ( 7.219 4.023 -7.719) 11.309 13.993 ( -4.888 -10.977 4.709) 12.906 14.068 ( -2.846 -1.904 -3.586) 4.958 14.331 ( 4.598 -2.763 15.331) 16.242 14.706 ( -1.847 2.557 -1.328) 3.423 15.132 ( 0.135 -0.216 -3.500) 3.509 15.294 ( 4.075 -0.193 0.539) 4.115 15.554 ( 2.303 0.934 2.262) 3.360 15.758 ( 2.272 -2.945 13.978) 14.464 16.836 ( -1.734 3.031 -12.268) 12.755 17.063 ( -1.696 2.288 1.824) 3.382 17.215 ( -1.870 -5.128 1.770) 5.738 18.004 ( -3.815 13.186 -9.241) 16.547 18.639 ( 0.845 -1.812 0.427) 2.044 18.836 ( -0.934 -6.987 0.239) 7.054 18.987 ( -6.316 2.157 5.143) 8.426 19.193 ( 4.708 9.612 4.377) 11.564 19.453 ( -3.585 -1.905 -3.169) 5.150 19.866 ( 3.826 2.164 -2.414) 5.015 19.918 ( -0.918 -2.522 -3.938) 4.766 20.104 ( -0.938 -3.683 -0.916) 3.910 20.362 ( -1.652 -11.189 0.241) 11.313 20.564 ( 1.279 0.959 -2.237) 2.750 20.599 ( 1.013 -1.194 0.611) 1.681 21.181 ( 8.006 2.770 -2.406) 8.806 21.431 ( 4.189 0.423 8.146) 9.170 21.519 ( -3.720 3.528 4.356) 6.727 21.787 ( -7.782 -7.176 -1.791) 10.736 22.255 ( 1.540 0.506 -1.282) 2.066 22.278 ( 2.549 -0.698 -3.612) 4.476 22.560 ( 1.412 1.677 4.191) 4.730 22.810 ( -1.703 -0.137 -2.634) 3.139 23.195 ( 3.301 2.545 -4.098) 5.845 ======================= Grid point 33 (17/78) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 1.668 -4.903 -0.127) 5.180 0.998 ( -9.199 -1.131 3.419) 9.879 1.360 ( -1.465 -3.736 0.971) 4.129 1.465 ( -3.395 5.753 -0.422) 6.693 1.493 ( 1.098 0.423 3.390) 3.588 1.647 ( 0.123 -2.111 3.233) 3.863 1.708 ( 2.814 2.889 -1.296) 4.236 1.825 ( -6.278 -6.525 -1.733) 9.219 1.941 ( 11.717 5.227 -3.783) 13.376 2.145 ( -3.598 -4.207 21.868) 22.558 2.401 ( -0.842 -6.021 -0.830) 6.136 2.499 ( -2.572 4.320 -1.601) 5.276 2.649 ( -1.757 -5.193 5.123) 7.503 2.744 ( 0.310 5.917 2.733) 6.525 3.048 ( -12.052 3.265 8.648) 15.189 3.406 ( 4.804 -4.198 1.390) 6.529 3.439 ( -5.798 -7.976 -1.094) 9.921 3.567 ( 2.833 -1.041 5.625) 6.383 3.670 ( 2.336 -7.984 6.943) 10.835 3.938 ( -2.163 6.443 -0.611) 6.824 4.096 ( -0.811 8.207 4.263) 9.284 4.189 ( -6.196 -7.693 0.995) 9.928 4.303 ( -0.171 -0.875 1.326) 1.598 4.503 ( -6.292 -7.125 -8.541) 12.779 4.588 ( 7.161 -12.632 3.486) 14.933 4.654 ( 10.093 2.434 -3.753) 11.040 4.905 ( 0.558 -3.242 -6.225) 7.041 5.083 ( -0.042 11.810 -5.667) 13.099 5.105 ( 5.351 8.608 -3.343) 10.673 5.306 ( -0.745 8.262 0.335) 8.303 5.498 ( 0.883 -0.813 -6.274) 6.387 5.718 ( 2.870 1.726 -2.266) 4.043 5.818 ( -2.047 -1.773 -2.498) 3.684 5.971 ( 3.113 -0.558 5.099) 6.000 6.027 ( 2.709 4.472 1.432) 5.421 6.250 ( -4.911 0.912 -0.047) 4.995 6.265 ( 2.823 1.597 5.314) 6.225 6.389 ( -3.437 -0.228 -4.742) 5.861 6.542 ( 1.879 -1.325 0.393) 2.333 6.705 ( 6.452 6.191 1.840) 9.129 6.758 ( -0.146 -7.576 0.380) 7.587 6.812 ( -10.792 -4.002 -6.521) 13.229 6.906 ( 2.834 5.355 -14.274) 15.507 7.153 ( -7.658 -5.234 2.142) 9.520 7.326 ( 0.596 1.201 -2.158) 2.541 7.377 ( 3.083 -0.092 -3.364) 4.565 7.737 ( 1.727 3.485 1.472) 4.158 7.805 ( -5.080 -4.243 10.183) 12.145 8.076 ( -0.937 -2.607 6.237) 6.824 8.247 ( 9.056 10.661 -2.570) 14.222 8.404 ( -1.313 6.841 0.292) 6.972 8.734 ( 0.527 1.912 -3.970) 4.437 8.884 ( 2.854 1.506 -1.531) 3.571 9.048 ( -5.898 3.307 -0.057) 6.762 9.192 ( 3.435 -6.479 -5.751) 9.320 9.415 ( -0.556 1.289 -0.765) 1.599 9.666 ( -3.274 0.926 9.831) 10.403 10.221 ( 0.680 2.166 -1.077) 2.513 10.327 ( 1.693 -2.981 -5.559) 6.531 11.147 ( 0.915 -1.055 -3.859) 4.104 11.168 ( 0.318 2.990 2.624) 3.990 11.616 ( 6.761 1.161 -21.008) 22.100 12.538 ( 1.961 -7.175 -3.780) 8.344 12.601 ( -3.161 -4.001 4.772) 6.984 12.719 ( -4.541 -1.546 9.859) 10.964 12.956 ( 3.955 6.053 -0.901) 7.286 13.115 ( -1.508 1.538 -2.149) 3.043 13.391 ( -5.739 5.070 1.586) 7.820 13.558 ( 3.296 -3.300 -1.060) 4.783 13.890 ( 13.917 2.937 -3.960) 14.764 13.953 ( -4.248 0.768 -5.270) 6.813 14.170 ( -4.575 -9.537 5.845) 12.085 14.484 ( -10.146 -1.665 7.693) 12.842 14.623 ( 3.046 -1.752 7.641) 8.410 15.149 ( 5.495 1.633 -5.324) 7.824 15.342 ( 2.631 -0.355 -2.735) 3.812 15.591 ( 3.116 0.348 3.434) 4.651 15.896 ( -5.080 -6.924 11.723) 14.532 16.660 ( -1.007 8.246 -4.776) 9.582 17.042 ( 0.637 0.534 1.380) 1.611 17.307 ( -0.100 -5.024 3.867) 6.341 17.722 ( -4.339 9.404 -5.585) 11.767 18.695 ( 0.743 -2.583 1.473) 3.065 18.859 ( -3.732 2.164 1.476) 4.560 18.994 ( 0.235 -2.756 1.098) 2.976 19.133 ( 4.180 2.892 2.844) 5.824 19.432 ( -2.787 -2.288 -3.336) 4.912 19.822 ( 3.337 5.315 -3.526) 7.198 19.932 ( -0.509 -1.954 -2.403) 3.139 20.145 ( -1.827 -2.643 0.536) 3.257 20.513 ( -1.278 -7.742 -2.067) 8.115 20.561 ( 1.779 -0.318 -2.382) 2.990 20.638 ( -0.652 -3.298 0.290) 3.374 21.265 ( 10.292 1.131 -3.237) 10.848 21.411 ( -4.214 3.127 0.439) 5.266 21.517 ( 8.594 2.231 7.283) 11.484 21.796 ( -13.237 -8.519 0.263) 15.743 22.258 ( -0.333 -0.153 0.608) 0.710 22.299 ( 2.211 0.002 -4.071) 4.632 22.522 ( -1.581 3.800 2.506) 4.818 22.815 ( 1.478 -0.972 0.102) 1.772 23.151 ( 1.715 4.073 -4.800) 6.525 ======================= Grid point 34 (18/78) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 7.843 8.347 9.145) 14.657 1.025 ( 1.218 6.703 6.415) 9.358 1.289 ( -5.312 4.067 0.032) 6.690 1.381 ( -0.897 0.145 1.835) 2.047 1.566 ( 4.538 -4.720 7.241) 9.762 1.651 ( 2.962 1.896 0.831) 3.614 1.705 ( 1.163 4.121 -0.300) 4.292 1.879 ( -2.594 -4.362 3.409) 6.114 2.034 ( 6.023 1.539 0.445) 6.232 2.175 ( -6.951 -3.973 14.549) 16.606 2.326 ( -6.708 3.049 -1.170) 7.461 2.407 ( -0.454 5.689 -1.533) 5.910 2.546 ( -1.658 6.857 0.550) 7.076 2.923 ( -8.995 -3.498 6.747) 11.776 3.025 ( 4.735 -17.363 11.837) 21.541 3.427 ( -2.914 9.154 2.246) 9.866 3.494 ( -1.329 -1.794 5.125) 5.590 3.518 ( 0.661 1.758 4.189) 4.591 3.790 ( -0.798 4.180 -4.776) 6.397 3.968 ( 2.505 -14.392 3.197) 14.954 4.109 ( -4.073 10.475 -1.251) 11.309 4.190 ( -4.427 -17.663 1.457) 18.267 4.306 ( -1.136 0.805 -1.535) 2.073 4.525 ( -0.083 -3.912 -1.140) 4.076 4.687 ( -2.722 6.881 -8.300) 11.120 4.737 ( 1.905 10.276 -9.443) 14.085 4.779 ( 4.575 -1.865 -1.506) 5.165 5.013 ( -0.749 -8.138 -5.095) 9.630 5.125 ( 3.527 -5.734 -5.735) 8.843 5.285 ( 1.623 -0.714 -0.463) 1.832 5.534 ( 2.902 -4.145 2.551) 5.667 5.675 ( 2.101 12.798 1.201) 13.025 5.809 ( 0.890 0.512 -1.422) 1.754 5.930 ( 3.462 7.405 -3.612) 8.937 5.999 ( -0.998 -0.923 0.151) 1.368 6.182 ( -2.173 1.015 4.913) 5.467 6.215 ( 1.697 1.087 -5.384) 5.749 6.413 ( 0.487 1.555 4.489) 4.776 6.535 ( -0.825 7.978 6.444) 10.288 6.665 ( -7.621 -5.007 -5.350) 10.572 6.795 ( 10.371 -4.021 -1.569) 11.234 6.887 ( 0.067 -3.890 -4.757) 6.146 6.928 ( 2.261 -10.821 -2.667) 11.372 7.141 ( 0.948 1.406 -6.127) 6.357 7.304 ( 5.369 2.437 -1.096) 5.998 7.402 ( -0.155 0.279 0.235) 0.397 7.676 ( 2.612 6.851 2.731) 7.824 7.780 ( -3.963 3.762 7.185) 9.027 7.948 ( 0.744 12.280 -0.013) 12.303 8.261 ( -4.665 3.008 4.400) 7.083 8.386 ( -2.815 -6.022 3.556) 7.538 8.679 ( -0.423 -2.855 -0.030) 2.886 8.847 ( -2.342 -1.731 -5.540) 6.259 9.063 ( 4.272 -0.468 -0.907) 4.392 9.327 ( 3.485 -6.546 -2.464) 7.814 9.394 ( -0.485 0.120 -1.779) 1.848 9.627 ( -3.035 3.053 8.244) 9.301 10.172 ( 0.442 2.725 -1.838) 3.316 10.346 ( 2.161 1.067 -4.367) 4.988 11.126 ( -1.005 0.741 1.751) 2.150 11.164 ( 1.584 0.475 -3.242) 3.639 11.601 ( 7.404 0.287 -20.048) 21.374 12.612 ( -6.841 0.379 17.160) 18.478 12.643 ( 2.296 -1.907 -4.925) 5.759 12.705 ( -0.242 -0.535 -0.029) 0.588 12.965 ( 6.882 4.005 -9.708) 12.556 13.107 ( -2.999 -4.735 -1.664) 5.846 13.252 ( -1.466 1.570 3.598) 4.190 13.596 ( 1.142 1.848 -4.893) 5.354 13.848 ( -2.527 0.900 3.228) 4.197 14.091 ( 18.895 1.045 -6.803) 20.109 14.249 ( -4.799 -4.354 2.904) 7.101 14.332 ( -11.365 -0.837 2.143) 11.595 14.748 ( -0.639 2.134 3.767) 4.376 15.132 ( 1.971 3.240 -4.680) 6.024 15.340 ( -0.204 1.178 -1.516) 1.931 15.630 ( 0.580 0.749 3.969) 4.080 15.831 ( -30.013 -6.352 5.936) 31.247 16.679 ( 22.411 3.339 3.301) 22.897 17.063 ( 1.282 -0.339 2.448) 2.784 17.395 ( -1.233 -1.503 1.221) 2.296 17.585 ( -2.885 -5.834 6.838) 9.440 18.728 ( -2.130 0.477 -0.098) 2.185 18.799 ( -0.770 -0.493 2.912) 3.053 18.947 ( 1.566 7.325 4.612) 8.797 19.230 ( -3.236 -6.857 -0.796) 7.624 19.454 ( 2.390 -3.818 -3.733) 5.850 19.766 ( 3.012 4.418 -2.718) 5.999 19.945 ( 1.228 0.004 -1.214) 1.727 20.156 ( -1.721 -1.198 0.829) 2.254 20.535 ( 1.525 1.489 0.053) 2.132 20.600 ( 0.253 -1.639 -5.328) 5.580 20.739 ( 1.000 -7.476 -1.557) 7.702 21.210 ( -5.710 5.299 -10.704) 13.239 21.414 ( 3.002 -1.182 2.183) 3.896 21.633 ( 2.409 2.565 -1.202) 3.718 21.718 ( -6.247 -2.602 5.088) 8.467 22.246 ( -2.210 0.152 0.029) 2.216 22.295 ( -0.162 0.903 -0.521) 1.055 22.453 ( 0.959 3.067 0.666) 3.282 22.864 ( 1.683 -1.512 2.036) 3.044 23.080 ( 2.330 3.373 -5.000) 6.465 ======================= Grid point 37 (19/78) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -18.319 -0.000 -5.308) 19.073 1.087 ( -5.849 -0.000 6.450) 8.707 1.107 ( 8.452 0.000 8.157) 11.746 1.319 ( -3.979 -0.000 -2.585) 4.745 1.525 ( -0.440 -0.000 -2.651) 2.688 1.624 ( -5.268 -0.000 0.553) 5.297 1.726 ( 0.022 0.000 -1.659) 1.659 1.750 ( -6.971 -0.000 10.235) 12.384 1.917 ( -7.546 -0.000 23.133) 24.333 2.233 ( 11.626 0.000 -4.342) 12.411 2.259 ( 5.578 0.000 -2.963) 6.316 2.471 ( 3.622 0.000 -2.728) 4.535 2.755 ( -5.062 -0.000 -0.054) 5.063 2.839 ( -13.368 -0.000 6.820) 15.007 3.238 ( -3.016 -0.000 -2.681) 4.035 3.250 ( 8.524 0.000 -3.630) 9.265 3.399 ( -4.652 -0.000 0.432) 4.672 3.440 ( -2.833 -0.000 4.693) 5.481 3.649 ( 5.714 0.000 6.625) 8.749 3.814 ( -9.810 -0.000 12.553) 15.932 3.953 ( -2.479 -0.000 3.694) 4.448 4.020 ( -0.177 -0.000 -1.586) 1.596 4.039 ( 4.041 0.000 -2.329) 4.664 4.559 ( 4.035 0.000 0.007) 4.035 4.693 ( -1.505 -0.000 -8.960) 9.085 4.866 ( 12.805 0.000 -2.100) 12.976 5.016 ( -3.554 -0.000 0.125) 3.556 5.149 ( 5.508 0.000 -5.823) 8.015 5.359 ( 3.111 0.000 -5.857) 6.632 5.550 ( 5.525 0.000 -5.756) 7.978 5.565 ( 1.832 0.000 -0.350) 1.865 5.651 ( 1.301 0.000 0.043) 1.302 5.726 ( -2.450 -0.000 -7.051) 7.465 5.950 ( 2.516 0.000 5.142) 5.725 6.090 ( -3.809 -0.000 0.887) 3.910 6.186 ( -0.513 -0.000 4.425) 4.455 6.199 ( 0.791 0.000 8.002) 8.041 6.412 ( -1.935 -0.000 3.862) 4.319 6.426 ( -7.003 -0.000 0.640) 7.033 6.724 ( -1.669 -0.000 -0.342) 1.704 6.754 ( -0.979 -0.000 -0.193) 0.998 6.884 ( -5.407 -0.000 -6.476) 8.437 7.007 ( 1.994 0.000 -7.786) 8.038 7.135 ( 6.688 0.000 -11.243) 13.082 7.150 ( -3.701 -0.000 4.894) 6.136 7.515 ( 1.006 0.000 -1.655) 1.937 7.590 ( 1.647 0.000 3.559) 3.922 7.693 ( 1.256 0.000 -4.393) 4.569 8.025 ( -2.045 -0.000 12.811) 12.973 8.605 ( 4.189 0.000 -3.149) 5.241 8.611 ( 2.750 0.000 -6.828) 7.361 8.751 ( -2.874 -0.000 -1.240) 3.130 8.958 ( -1.176 -0.000 -3.061) 3.279 8.960 ( 4.270 0.000 -8.856) 9.832 9.289 ( 4.677 0.000 -4.260) 6.326 9.494 ( -3.905 -0.000 1.541) 4.198 9.639 ( -5.334 -0.000 11.736) 12.891 10.085 ( 2.107 0.000 -2.316) 3.131 10.324 ( -2.148 -0.000 -0.242) 2.162 11.107 ( 1.347 0.000 -3.467) 3.720 11.271 ( 1.777 0.000 1.192) 2.139 11.650 ( 5.081 0.000 -22.364) 22.934 12.224 ( 1.511 0.000 -4.404) 4.656 12.572 ( -0.642 -0.000 0.051) 0.644 12.641 ( -6.926 -0.000 19.358) 20.559 13.226 ( -3.454 -0.000 -9.967) 10.549 13.251 ( 0.777 0.000 5.056) 5.115 13.379 ( 4.745 0.000 6.304) 7.890 13.441 ( -4.416 -0.000 3.149) 5.423 13.862 ( 3.260 0.000 0.774) 3.351 13.962 ( -1.124 -0.000 -11.070) 11.127 14.011 ( 3.273 0.000 2.204) 3.946 14.439 ( 4.160 0.000 18.256) 18.724 14.612 ( -11.530 -0.000 2.259) 11.749 15.179 ( 7.114 0.000 -3.563) 7.956 15.308 ( 0.193 0.000 -4.190) 4.195 15.604 ( 2.671 0.000 3.236) 4.196 15.808 ( -0.633 -0.000 10.288) 10.308 16.849 ( 3.836 0.000 -8.243) 9.092 17.120 ( -0.040 -0.000 5.101) 5.101 17.125 ( -0.515 -0.000 4.170) 4.201 18.007 ( -4.049 -0.000 -17.856) 18.309 18.632 ( 0.802 0.000 -0.040) 0.803 18.740 ( -1.975 -0.000 1.120) 2.271 18.940 ( -5.320 -0.000 2.215) 5.762 19.371 ( -2.290 -0.000 -3.526) 4.205 19.393 ( 2.760 0.000 9.783) 10.165 19.833 ( 2.227 0.000 -2.932) 3.682 19.965 ( 2.914 0.000 -5.239) 5.995 20.033 ( -2.103 -0.000 -0.759) 2.236 20.280 ( 0.622 0.000 1.337) 1.475 20.590 ( 2.031 0.000 -0.553) 2.105 20.597 ( -0.092 -0.000 -0.518) 0.526 21.260 ( 5.150 0.000 -1.413) 5.341 21.521 ( -2.636 -0.000 0.548) 2.692 21.541 ( -4.570 -0.000 6.370) 7.840 21.608 ( -0.415 -0.000 2.762) 2.793 22.253 ( -1.442 -0.000 1.948) 2.423 22.301 ( 4.707 0.000 -7.855) 9.157 22.618 ( 0.753 0.000 5.209) 5.263 22.778 ( -0.284 -0.000 -1.789) 1.811 23.233 ( 2.034 0.000 -4.997) 5.395 ======================= Grid point 38 (20/78) ======================= q-point: (-0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 2.116 -13.686 0.258) 13.851 1.048 ( 2.406 2.883 5.579) 6.724 1.278 ( -3.334 -3.038 -0.927) 4.605 1.419 ( 3.200 -8.135 1.811) 8.927 1.457 ( -5.547 -8.380 -3.011) 10.491 1.547 ( -3.997 1.526 3.693) 5.652 1.743 ( 1.487 0.193 -0.167) 1.509 1.823 ( 3.678 -0.478 10.434) 11.074 2.025 ( -4.323 -9.534 16.825) 19.816 2.208 ( 6.605 7.633 1.294) 10.177 2.312 ( -2.466 -0.407 -2.677) 3.662 2.545 ( 6.569 -0.012 -0.829) 6.622 2.598 ( -6.136 4.590 2.165) 7.962 2.769 ( -3.347 -2.386 1.326) 4.319 3.097 ( -10.043 11.733 -0.570) 15.455 3.251 ( -3.850 -2.728 -3.873) 6.104 3.361 ( 3.463 -7.697 2.946) 8.940 3.554 ( 3.275 -4.751 2.690) 6.367 3.697 ( -1.475 1.110 10.834) 10.990 3.876 ( -3.763 -10.197 5.840) 12.339 3.947 ( -4.081 1.299 -1.747) 4.625 4.138 ( 0.199 -11.445 -0.553) 11.460 4.190 ( 4.314 -12.694 -0.478) 13.416 4.487 ( -2.166 18.928 -1.300) 19.096 4.695 ( 11.351 -0.039 7.421) 13.562 4.819 ( 0.662 7.385 -4.806) 8.836 4.948 ( 5.967 8.755 1.329) 10.678 5.186 ( 0.172 2.344 -6.743) 7.141 5.301 ( 2.910 6.155 -4.805) 8.333 5.443 ( 2.329 8.032 -4.727) 9.606 5.533 ( 0.962 3.844 -0.287) 3.973 5.729 ( 0.988 -3.704 -7.174) 8.134 5.786 ( 2.386 -3.055 1.877) 4.307 5.980 ( -0.713 -4.138 -0.716) 4.259 6.080 ( -4.071 -2.679 7.375) 8.840 6.192 ( 1.457 1.485 1.491) 2.560 6.290 ( -3.656 -2.729 5.539) 7.176 6.349 ( 2.423 1.016 -2.211) 3.434 6.463 ( -1.701 -4.603 1.462) 5.120 6.564 ( -12.281 0.198 -10.819) 16.368 6.657 ( -8.568 -2.822 -3.406) 9.642 6.845 ( 3.328 5.432 -3.411) 7.226 7.009 ( 7.722 5.231 -6.369) 11.294 7.128 ( 6.008 0.089 1.628) 6.225 7.277 ( 1.969 -5.831 1.254) 6.280 7.473 ( 2.340 3.938 -3.420) 5.717 7.656 ( -2.361 -7.597 2.303) 8.282 7.796 ( 5.800 -2.904 0.773) 6.532 8.025 ( -6.415 -0.722 11.908) 13.545 8.473 ( -0.616 9.369 -4.001) 10.206 8.594 ( -1.243 12.965 -1.398) 13.099 8.690 ( 2.332 -3.363 -4.058) 5.763 8.863 ( -3.759 3.598 -9.485) 10.819 9.082 ( 5.939 -8.209 -8.549) 13.257 9.240 ( 4.836 11.178 3.273) 12.611 9.425 ( -1.503 1.735 -0.103) 2.298 9.631 ( -7.282 -2.190 10.768) 13.182 10.194 ( 1.964 -8.194 -4.275) 9.448 10.276 ( -2.067 1.352 -0.986) 2.659 11.127 ( 1.869 -1.343 -3.305) 4.028 11.241 ( -1.100 3.859 1.662) 4.343 11.617 ( 6.002 0.360 -21.706) 22.524 12.353 ( 3.409 -11.717 -5.583) 13.420 12.567 ( -1.583 -0.463 5.549) 5.789 12.669 ( -4.829 -2.636 13.926) 14.973 13.063 ( -2.964 5.606 -6.838) 9.326 13.202 ( -0.173 6.986 3.846) 7.977 13.401 ( -1.834 1.879 -0.580) 2.689 13.515 ( 0.453 -5.423 6.359) 8.369 13.840 ( -3.379 1.929 -8.796) 9.618 13.991 ( -0.160 -6.559 1.067) 6.647 14.045 ( 0.298 -3.447 -3.908) 5.219 14.466 ( -0.231 5.773 9.485) 11.106 14.651 ( 3.991 -4.961 13.569) 14.989 15.227 ( 2.562 1.828 -5.527) 6.360 15.289 ( -0.939 -2.400 -3.511) 4.355 15.652 ( 1.688 0.307 5.758) 6.008 15.772 ( -10.478 0.900 4.767) 11.547 16.861 ( 9.288 4.247 -0.252) 10.215 17.096 ( 2.668 2.859 5.870) 7.053 17.248 ( 1.662 -4.952 5.782) 7.792 17.773 ( -4.840 9.671 -17.163) 20.286 18.668 ( 0.317 -2.092 1.509) 2.599 18.801 ( -0.818 -6.387 -1.742) 6.671 18.890 ( -3.059 -1.717 0.922) 3.627 19.341 ( 2.726 2.398 -1.276) 3.849 19.377 ( -0.309 6.124 5.689) 8.364 19.873 ( 0.920 0.246 -3.391) 3.522 19.943 ( 3.858 0.826 -3.496) 5.272 20.064 ( -1.367 -4.530 0.864) 4.810 20.350 ( 0.244 -7.278 -0.451) 7.296 20.589 ( -1.574 -0.942 -1.752) 2.536 20.606 ( 2.100 1.227 0.367) 2.460 21.313 ( 0.492 0.540 -3.065) 3.151 21.377 ( -5.765 0.289 -2.803) 6.416 21.535 ( -8.224 -3.262 4.697) 10.017 21.719 ( 9.606 0.052 7.357) 12.100 22.243 ( -1.503 -0.172 1.056) 1.845 22.319 ( 3.465 0.409 -6.420) 7.307 22.598 ( -0.822 4.162 4.503) 6.187 22.809 ( 1.956 -1.959 0.416) 2.799 23.201 ( 0.359 2.669 -6.058) 6.630 ======================= Grid point 39 (21/78) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.213 -10.057 -3.505) 10.653 1.125 ( 10.610 -0.085 6.240) 12.309 1.286 ( -4.533 -4.460 -1.451) 6.523 1.404 ( -7.395 -7.869 -1.345) 10.882 1.470 ( 1.438 5.741 2.841) 6.565 1.678 ( -1.161 -2.156 -0.794) 2.575 1.752 ( 1.741 -4.354 3.087) 5.614 1.848 ( 1.904 7.024 7.310) 10.315 2.117 ( -3.628 -0.376 -0.955) 3.770 2.181 ( -5.193 3.372 16.201) 17.344 2.295 ( 4.236 -0.918 -3.013) 5.278 2.489 ( -1.411 0.946 -0.863) 1.905 2.590 ( -2.960 4.543 -1.818) 5.719 2.831 ( -6.633 1.956 4.776) 8.405 2.937 ( 7.289 -10.422 12.800) 18.043 3.316 ( -2.819 -9.506 4.915) 11.067 3.526 ( 0.738 0.219 0.603) 0.977 3.606 ( -6.733 -4.986 7.643) 11.340 3.809 ( -1.661 1.289 -0.185) 2.110 3.825 ( 2.963 -4.693 1.144) 5.667 3.975 ( -1.857 4.185 -1.126) 4.715 4.139 ( -1.032 5.127 2.215) 5.679 4.310 ( 2.640 -4.234 1.453) 5.197 4.422 ( 3.303 -3.239 -2.350) 5.189 4.732 ( -4.751 6.079 -5.941) 9.737 4.787 ( 2.718 2.407 0.343) 3.647 4.854 ( 2.144 -3.868 -6.385) 7.767 5.102 ( 6.393 5.475 0.400) 8.427 5.129 ( -1.197 12.966 -3.780) 13.559 5.367 ( 2.644 6.583 -2.253) 7.444 5.550 ( 6.820 -1.717 3.494) 7.853 5.751 ( 0.613 -1.281 -8.352) 8.472 5.854 ( -1.332 -0.411 -1.341) 1.934 5.940 ( -6.389 2.010 0.394) 6.709 6.074 ( 0.168 4.631 0.944) 4.730 6.144 ( -4.347 0.536 -3.494) 5.603 6.266 ( 2.242 -0.305 5.356) 5.814 6.368 ( -7.471 -4.327 0.686) 8.661 6.466 ( 2.680 -6.884 -5.599) 9.269 6.594 ( -0.240 -3.104 -0.216) 3.120 6.713 ( -1.348 -9.635 -5.763) 11.308 6.772 ( 3.880 0.547 -6.232) 7.362 6.967 ( 6.978 6.146 -2.046) 9.521 7.236 ( 7.379 1.465 1.396) 7.651 7.393 ( 4.453 -3.707 0.095) 5.795 7.434 ( 1.572 2.342 0.553) 2.874 7.780 ( -1.743 -2.069 3.507) 4.429 7.800 ( -0.947 2.753 2.949) 4.144 8.046 ( -3.895 -2.253 6.628) 8.011 8.248 ( -11.437 8.372 -0.177) 14.175 8.351 ( 1.328 7.401 -2.870) 8.048 8.693 ( -1.854 4.552 -4.355) 6.567 8.764 ( 2.233 -2.869 -4.701) 5.943 9.176 ( 4.803 4.983 3.290) 7.664 9.255 ( 5.136 -5.745 -5.642) 9.551 9.386 ( -0.735 0.946 -1.915) 2.259 9.619 ( -6.338 -1.681 10.018) 11.974 10.204 ( -0.519 1.771 -1.253) 2.230 10.330 ( 1.900 -4.155 -5.719) 7.320 11.141 ( -0.106 1.187 -0.466) 1.279 11.181 ( 0.154 0.955 -0.833) 1.276 11.602 ( 6.685 -0.203 -20.755) 21.806 12.559 ( 3.606 -7.216 -6.463) 10.337 12.608 ( -4.176 -1.536 17.394) 17.954 12.700 ( -0.764 -0.808 0.501) 1.220 12.953 ( -1.528 -1.146 -9.441) 9.632 13.148 ( 4.399 3.215 6.930) 8.816 13.294 ( -2.076 5.443 -0.576) 5.854 13.606 ( -2.389 -3.903 1.249) 4.744 13.717 ( -5.771 -0.152 -5.873) 8.236 14.049 ( -7.978 -8.862 1.122) 11.977 14.193 ( 9.351 -3.719 -2.810) 10.449 14.442 ( 7.607 6.404 7.548) 12.484 14.784 ( -3.075 1.971 6.903) 7.809 15.137 ( -3.436 0.397 -6.488) 7.352 15.328 ( 1.138 0.168 1.531) 1.915 15.555 ( -15.292 1.426 3.612) 15.778 15.705 ( 1.335 1.760 9.970) 10.212 16.943 ( 8.755 1.971 -2.098) 9.216 17.141 ( 7.427 4.061 3.419) 9.129 17.362 ( 0.787 -2.537 2.436) 3.604 17.495 ( -6.232 1.320 -5.181) 8.212 18.705 ( -1.098 -1.032 1.934) 2.452 18.795 ( -1.213 0.378 1.389) 1.882 18.985 ( -1.450 -6.784 -0.685) 6.971 19.218 ( -1.330 10.313 4.550) 11.350 19.410 ( 4.492 -4.183 -4.940) 7.879 19.825 ( -0.633 2.788 -2.674) 3.915 19.978 ( 3.412 -0.168 -4.282) 5.478 20.135 ( 1.272 -1.397 4.190) 4.596 20.527 ( 3.346 -6.112 -2.240) 7.319 20.591 ( -0.601 -2.840 0.075) 2.903 20.617 ( 2.956 -3.172 -1.490) 4.585 21.127 ( -11.814 4.996 -9.659) 16.057 21.410 ( 0.500 -2.128 1.314) 2.550 21.483 ( -8.149 -0.998 6.905) 10.727 21.899 ( 12.167 -0.566 3.431) 12.655 22.224 ( -1.534 0.405 -0.099) 1.589 22.317 ( 1.599 1.255 -3.301) 3.877 22.531 ( -0.349 4.015 3.756) 5.509 22.858 ( 0.430 -0.702 0.532) 0.980 23.121 ( 0.119 2.274 -6.239) 6.642 ======================= Grid point 43 (22/78) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 18.292 0.000 -4.811) 18.914 1.131 ( -2.949 -0.000 10.422) 10.831 1.156 ( -11.135 -0.000 3.934) 11.810 1.311 ( -1.153 -0.000 -3.854) 4.023 1.374 ( 1.600 0.000 11.312) 11.425 1.550 ( 7.826 0.000 1.181) 7.915 1.799 ( 2.525 0.000 -0.758) 2.637 1.933 ( 8.557 0.000 8.430) 12.012 1.951 ( -5.255 -0.000 9.579) 10.926 2.206 ( -17.679 -0.000 3.133) 17.955 2.275 ( -2.213 -0.000 -1.854) 2.887 2.562 ( -4.504 -0.000 -1.952) 4.908 2.708 ( 12.778 0.000 0.082) 12.778 2.719 ( 3.655 0.000 2.738) 4.567 2.977 ( -15.807 -0.000 -5.998) 16.907 3.194 ( -0.028 -0.000 -0.028) 0.039 3.430 ( 7.727 0.000 -2.259) 8.050 3.511 ( 2.780 0.000 6.154) 6.753 3.699 ( -5.635 -0.000 11.564) 12.864 3.867 ( 0.443 0.000 6.035) 6.052 3.920 ( -4.386 -0.000 -2.737) 5.170 4.077 ( 1.220 0.000 -2.727) 2.988 4.126 ( 12.992 0.000 13.583) 18.796 4.563 ( 0.926 0.000 -12.293) 12.328 4.851 ( 3.443 0.000 3.443) 4.869 4.948 ( 1.646 0.000 3.303) 3.690 5.149 ( -0.415 -0.000 -8.905) 8.914 5.267 ( 13.434 0.000 3.861) 13.978 5.282 ( -3.637 -0.000 -6.408) 7.368 5.521 ( -3.103 -0.000 -1.266) 3.351 5.605 ( 2.375 0.000 0.685) 2.472 5.706 ( 4.619 0.000 0.930) 4.712 5.709 ( 0.277 0.000 2.738) 2.752 5.857 ( -4.861 -0.000 -6.889) 8.432 5.975 ( -7.827 -0.000 2.264) 8.148 6.218 ( -6.496 -0.000 6.420) 9.133 6.225 ( -0.642 -0.000 -5.954) 5.988 6.320 ( -18.438 -0.000 -7.778) 20.011 6.416 ( 5.373 0.000 -4.186) 6.811 6.481 ( -4.749 -0.000 -5.375) 7.172 6.541 ( 9.484 0.000 9.577) 13.478 6.975 ( 6.996 0.000 -5.939) 9.177 7.112 ( 4.736 0.000 -12.266) 13.148 7.202 ( 4.415 0.000 1.243) 4.587 7.266 ( 4.735 0.000 9.607) 10.711 7.528 ( -3.790 -0.000 2.546) 4.566 7.531 ( 2.481 0.000 -6.506) 6.963 7.862 ( 7.620 0.000 1.136) 7.705 7.963 ( -11.723 -0.000 12.075) 16.830 8.500 ( -6.690 -0.000 -5.145) 8.440 8.658 ( 4.531 0.000 -3.755) 5.885 8.712 ( -2.570 -0.000 -7.091) 7.542 8.868 ( 4.127 0.000 -7.814) 8.837 9.036 ( 7.963 0.000 -9.791) 12.620 9.432 ( -2.226 -0.000 2.599) 3.422 9.446 ( 6.826 0.000 -1.287) 6.946 9.521 ( -11.389 -0.000 10.890) 15.758 10.078 ( -0.781 -0.000 -2.810) 2.917 10.257 ( -2.488 -0.000 -0.234) 2.499 11.126 ( 2.094 0.000 -2.816) 3.510 11.251 ( -3.482 -0.000 0.510) 3.519 11.599 ( 6.014 0.000 -21.477) 22.303 12.271 ( 4.399 0.000 -2.671) 5.146 12.567 ( 0.303 0.000 -0.117) 0.325 12.646 ( -6.521 -0.000 19.450) 20.514 13.024 ( -4.799 -0.000 -9.625) 10.755 13.241 ( -5.511 -0.000 7.013) 8.920 13.404 ( -0.661 -0.000 -0.652) 0.929 13.524 ( 2.452 0.000 3.953) 4.652 13.781 ( -13.487 -0.000 2.008) 13.635 13.827 ( -1.991 -0.000 -8.392) 8.625 14.054 ( 9.231 0.000 -2.858) 9.663 14.668 ( -0.019 -0.000 18.624) 18.624 14.686 ( 11.536 0.000 4.111) 12.247 15.141 ( -6.855 -0.000 -9.232) 11.499 15.329 ( 4.802 0.000 2.532) 5.429 15.603 ( -14.728 -0.000 2.310) 14.908 15.741 ( 0.682 0.000 8.811) 8.838 16.969 ( 4.329 0.000 -0.225) 4.335 17.253 ( 4.532 0.000 7.762) 8.989 17.258 ( 6.610 0.000 11.418) 13.193 17.741 ( -1.511 -0.000 -26.422) 26.466 18.647 ( 0.024 0.000 0.222) 0.224 18.717 ( -0.086 -0.000 0.689) 0.694 18.850 ( -2.834 -0.000 0.791) 2.942 19.329 ( 2.465 0.000 -5.220) 5.773 19.554 ( 2.250 0.000 10.025) 10.274 19.902 ( 4.449 0.000 -2.518) 5.112 19.943 ( -0.186 -0.000 -3.974) 3.979 19.995 ( -0.482 -0.000 0.736) 0.879 20.282 ( -1.404 -0.000 0.877) 1.656 20.545 ( -2.362 -0.000 -2.659) 3.557 20.648 ( 2.104 0.000 0.712) 2.221 21.218 ( -10.368 -0.000 -6.433) 12.201 21.344 ( 1.425 0.000 -1.018) 1.751 21.466 ( -4.673 -0.000 6.264) 7.815 21.868 ( 9.242 0.000 8.012) 12.232 22.230 ( -1.007 -0.000 0.945) 1.381 22.338 ( 3.123 0.000 -6.199) 6.942 22.642 ( -2.427 -0.000 5.784) 6.273 22.829 ( 3.968 0.000 0.330) 3.982 23.189 ( -1.219 -0.000 -8.150) 8.241 ======================= Grid point 44 (23/78) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 1.148 -2.560 -7.635) 8.134 1.035 ( -14.838 -6.092 7.678) 17.783 1.156 ( -2.939 -3.148 4.228) 6.035 1.306 ( 4.458 2.414 0.170) 5.072 1.506 ( 2.776 -5.450 1.579) 6.317 1.683 ( -3.725 1.551 0.398) 4.055 1.786 ( 3.622 2.272 0.969) 4.384 1.877 ( -8.459 -5.063 -2.496) 10.169 2.026 ( -6.337 -0.064 9.610) 11.511 2.157 ( 3.083 -7.169 13.171) 15.309 2.302 ( 0.569 -5.893 -0.567) 5.947 2.476 ( -3.154 4.757 1.261) 5.845 2.641 ( -6.970 8.115 -2.288) 10.939 2.858 ( 5.387 0.842 4.247) 6.911 2.930 ( 9.984 -4.591 3.099) 11.418 3.252 ( 1.611 -0.039 2.052) 2.609 3.420 ( 0.182 -4.174 4.385) 6.056 3.600 ( -2.351 6.585 4.010) 8.060 3.754 ( 2.085 -7.427 -1.065) 7.787 3.814 ( -0.725 -1.707 -0.900) 2.061 3.937 ( 0.834 -2.803 6.379) 7.017 4.202 ( 2.103 -10.816 -0.293) 11.022 4.455 ( 6.497 2.119 1.842) 7.078 4.466 ( 7.778 5.669 6.081) 11.385 4.771 ( -1.012 1.690 -3.629) 4.129 4.892 ( 1.782 7.177 -2.789) 7.904 4.912 ( -5.494 20.581 -1.139) 21.332 5.150 ( -0.385 2.218 -4.236) 4.797 5.316 ( -1.410 5.000 -4.138) 6.641 5.500 ( 0.836 4.659 -3.119) 5.669 5.640 ( -2.128 0.058 0.099) 2.131 5.671 ( -9.303 -5.647 -1.795) 11.030 5.791 ( 12.240 2.882 1.931) 12.722 5.863 ( -3.820 0.656 -6.842) 7.864 6.022 ( -0.075 -11.291 -3.220) 11.741 6.071 ( -8.196 -1.018 -0.106) 8.260 6.142 ( -6.868 -1.721 1.219) 7.185 6.264 ( -2.110 -6.282 -0.106) 6.628 6.381 ( -4.591 -1.057 -1.166) 4.853 6.541 ( 6.951 -6.490 -7.951) 12.396 6.713 ( 12.634 3.488 7.555) 15.128 6.911 ( 5.628 8.737 -9.097) 13.812 7.089 ( 1.406 2.684 -6.524) 7.193 7.325 ( 6.271 -4.918 0.816) 8.011 7.362 ( 0.796 -0.198 1.049) 1.332 7.468 ( -0.099 0.793 2.419) 2.548 7.645 ( -1.201 -10.220 -2.167) 10.516 7.784 ( -12.395 5.143 7.543) 15.394 8.021 ( 4.798 -5.346 3.977) 8.211 8.241 ( -13.723 11.213 -9.217) 19.975 8.503 ( -1.710 10.845 -4.933) 12.036 8.735 ( 2.926 -0.305 -1.748) 3.422 8.825 ( 5.377 6.927 -2.862) 9.224 9.165 ( 4.138 -4.926 -8.151) 10.383 9.363 ( -0.437 2.258 4.674) 5.209 9.414 ( 0.880 7.305 -0.940) 7.417 9.509 ( -5.520 -5.451 7.612) 10.868 10.168 ( -0.502 -7.056 -6.011) 9.283 10.240 ( 0.196 -2.263 1.533) 2.741 11.150 ( 1.577 -0.471 -2.821) 3.266 11.185 ( -2.951 1.490 0.802) 3.401 11.586 ( 6.100 -0.443 -20.578) 21.468 12.457 ( 8.184 -10.805 -5.194) 14.516 12.600 ( -0.602 -2.965 8.828) 9.332 12.664 ( -3.929 -2.368 9.883) 10.896 12.884 ( -4.076 2.542 -8.298) 9.588 13.233 ( -1.574 -2.126 8.740) 9.132 13.369 ( -2.275 1.818 -2.364) 3.751 13.451 ( -5.019 3.980 2.102) 6.742 13.707 ( -2.647 0.366 -6.519) 7.045 13.819 ( -2.914 -7.804 1.218) 8.419 14.240 ( 11.721 -4.773 -0.172) 12.656 14.664 ( 0.303 5.404 12.761) 13.861 14.807 ( -1.571 4.426 -0.897) 4.782 15.060 ( -0.321 -3.465 -1.852) 3.942 15.359 ( -8.332 2.403 -1.148) 8.747 15.430 ( -1.346 -1.001 5.253) 5.514 15.805 ( 1.773 0.780 15.842) 15.960 17.006 ( 1.954 0.304 0.171) 1.985 17.355 ( 0.292 -0.249 1.181) 1.242 17.392 ( 6.940 -2.403 10.939) 13.176 17.433 ( -4.280 17.287 -19.856) 26.672 18.681 ( -0.226 -2.307 2.656) 3.525 18.780 ( -0.059 -2.642 -0.380) 2.670 18.841 ( -1.368 -4.688 0.090) 4.884 19.374 ( 3.639 -0.798 -2.994) 4.779 19.451 ( 0.405 11.547 2.917) 11.916 19.838 ( -3.555 3.582 -2.875) 5.808 19.976 ( 2.591 -1.129 -3.977) 4.879 20.160 ( 4.318 -4.005 5.732) 8.218 20.386 ( 5.823 -16.769 0.177) 17.752 20.512 ( -1.548 -0.875 -2.919) 3.417 20.662 ( 1.739 1.394 -0.264) 2.244 21.036 ( -8.665 4.137 -5.860) 11.249 21.365 ( -1.115 -2.504 -0.873) 2.876 21.441 ( -3.480 0.222 6.917) 7.746 22.036 ( 9.276 -1.110 6.342) 11.292 22.221 ( -0.376 0.464 0.419) 0.729 22.343 ( 2.170 0.822 -4.362) 4.940 22.598 ( -2.898 3.586 5.570) 7.231 22.875 ( 1.843 1.159 -0.495) 2.233 23.100 ( -2.694 1.179 -9.845) 10.275 ======================= Grid point 49 (24/78) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -16.024 -0.000 1.738) 16.118 0.800 ( -21.048 -0.000 15.056) 25.879 1.201 ( 2.793 0.000 -5.219) 5.920 1.269 ( -28.881 -0.000 14.280) 32.219 1.390 ( 0.135 0.000 0.592) 0.607 1.556 ( 2.260 0.000 -3.976) 4.573 1.842 ( 4.056 0.000 1.138) 4.213 1.855 ( 0.231 0.000 6.751) 6.755 2.028 ( -0.546 -0.000 2.751) 2.805 2.181 ( 3.657 0.000 1.025) 3.798 2.279 ( 4.383 0.000 6.678) 7.988 2.432 ( -6.596 -0.000 -2.786) 7.160 2.643 ( -8.911 -0.000 3.575) 9.602 3.014 ( 14.773 0.000 2.124) 14.925 3.095 ( 13.681 0.000 -1.401) 13.753 3.205 ( -0.263 -0.000 2.138) 2.154 3.601 ( 3.975 0.000 2.883) 4.910 3.612 ( 0.486 0.000 4.677) 4.702 3.706 ( -0.329 -0.000 6.614) 6.622 3.710 ( -4.885 -0.000 -4.003) 6.315 4.003 ( 5.775 0.000 6.435) 8.647 4.079 ( 0.222 0.000 -3.811) 3.818 4.524 ( 3.071 0.000 -8.024) 8.592 4.655 ( 10.505 0.000 13.063) 16.763 4.777 ( -3.004 -0.000 -0.846) 3.121 4.988 ( -1.547 -0.000 -3.894) 4.190 5.056 ( -0.406 -0.000 -5.845) 5.859 5.137 ( -2.002 -0.000 -5.273) 5.640 5.288 ( -10.993 -0.000 -4.949) 12.055 5.327 ( -7.904 -0.000 2.358) 8.248 5.649 ( -2.760 -0.000 -8.159) 8.613 5.663 ( -6.734 -0.000 -0.278) 6.739 5.676 ( 1.188 0.000 -9.642) 9.715 5.880 ( -0.427 -0.000 -9.385) 9.395 5.901 ( -9.547 -0.000 4.334) 10.485 6.086 ( -4.290 -0.000 -0.309) 4.301 6.095 ( 15.368 0.000 10.888) 18.834 6.176 ( 5.017 0.000 11.336) 12.397 6.365 ( -0.060 -0.000 -3.666) 3.667 6.535 ( 9.485 0.000 -10.781) 14.360 6.942 ( 6.631 0.000 7.845) 10.272 6.978 ( -5.806 -0.000 -15.034) 16.116 7.105 ( 7.261 0.000 -7.276) 10.279 7.289 ( -0.029 -0.000 -0.725) 0.725 7.404 ( -0.672 -0.000 -1.632) 1.765 7.497 ( -2.335 -0.000 -3.832) 4.488 7.498 ( 0.382 0.000 7.936) 7.945 7.709 ( -8.250 -0.000 0.873) 8.296 8.043 ( 3.391 0.000 5.481) 6.445 8.085 ( -19.259 -0.000 -22.514) 29.628 8.590 ( -1.075 -0.000 -3.884) 4.030 8.767 ( 5.808 0.000 -2.247) 6.227 8.982 ( 4.913 0.000 -1.190) 5.055 9.121 ( -0.481 -0.000 -8.792) 8.805 9.319 ( -6.495 -0.000 11.481) 13.191 9.415 ( -0.790 -0.000 1.600) 1.784 9.567 ( 4.084 0.000 -2.814) 4.959 10.019 ( -1.216 -0.000 -3.121) 3.350 10.265 ( 3.330 0.000 6.492) 7.296 11.150 ( 1.607 0.000 -3.180) 3.563 11.163 ( -2.948 -0.000 0.849) 3.068 11.569 ( 6.232 0.000 -19.461) 20.435 12.383 ( 5.168 0.000 -2.650) 5.808 12.578 ( 0.725 0.000 -0.968) 1.210 12.634 ( -7.970 -0.000 20.653) 22.138 12.844 ( -2.974 -0.000 -4.797) 5.644 13.170 ( -3.417 -0.000 8.454) 9.119 13.340 ( -1.692 -0.000 0.881) 1.908 13.566 ( -3.393 -0.000 0.424) 3.419 13.567 ( -0.131 -0.000 -0.820) 0.830 13.745 ( 0.057 0.000 -2.902) 2.902 14.346 ( 9.174 0.000 2.090) 9.409 14.665 ( -9.175 -0.000 4.184) 10.084 14.898 ( -1.722 -0.000 -5.166) 5.446 14.995 ( 0.026 0.000 4.177) 4.177 15.243 ( -3.615 -0.000 -1.928) 4.097 15.510 ( 6.198 0.000 5.773) 8.470 15.941 ( 6.939 0.000 24.969) 25.915 17.031 ( 1.129 0.000 0.913) 1.452 17.218 ( -14.925 -0.000 -28.126) 31.840 17.394 ( 1.271 0.000 3.983) 4.181 17.778 ( 16.056 0.000 13.342) 20.876 18.633 ( -0.995 -0.000 0.074) 0.998 18.744 ( 1.173 0.000 1.201) 1.679 18.809 ( -1.163 -0.000 1.955) 2.275 19.403 ( 6.525 0.000 -5.933) 8.818 19.606 ( -1.345 -0.000 -1.786) 2.236 19.961 ( 0.332 0.000 1.791) 1.821 19.997 ( 3.881 0.000 7.376) 8.335 20.032 ( 2.590 0.000 -2.770) 3.793 20.218 ( -3.376 -0.000 1.042) 3.533 20.484 ( 0.026 0.000 -1.931) 1.931 20.687 ( 0.890 0.000 -1.572) 1.807 20.990 ( -2.512 -0.000 0.098) 2.514 21.306 ( -2.635 -0.000 -2.999) 3.992 21.443 ( -1.743 -0.000 7.547) 7.746 22.167 ( 7.750 0.000 5.312) 9.396 22.229 ( 0.211 0.000 1.051) 1.072 22.362 ( 2.647 0.000 -3.671) 4.526 22.629 ( -1.633 -0.000 4.794) 5.064 22.929 ( 2.898 0.000 -0.387) 2.924 22.974 ( -9.440 -0.000 -18.258) 20.554 ======================= Grid point 50 (25/78) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.305 0.000 8.084) 10.252 0.996 ( -6.592 -0.000 19.648) 20.724 1.106 ( -7.589 -0.000 0.780) 7.629 1.409 ( 0.554 0.000 1.654) 1.745 1.622 ( 4.837 0.000 0.734) 4.893 1.697 ( 3.038 0.000 0.161) 3.042 1.833 ( -2.519 -0.000 -1.941) 3.180 1.992 ( 1.130 0.000 4.132) 4.284 2.115 ( -4.405 -0.000 -0.066) 4.405 2.210 ( 7.613 0.000 0.028) 7.613 2.346 ( 10.298 0.000 5.739) 11.789 2.419 ( -6.720 -0.000 8.722) 11.011 2.986 ( -15.019 -0.000 27.309) 31.166 3.254 ( 1.133 0.000 3.671) 3.841 3.273 ( -3.210 -0.000 6.600) 7.339 3.350 ( -17.742 -0.000 -2.347) 17.897 3.453 ( 3.868 0.000 -0.174) 3.872 3.744 ( -0.042 -0.000 9.156) 9.156 3.806 ( 7.175 0.000 1.457) 7.321 3.809 ( 2.077 0.000 -2.111) 2.961 4.010 ( 0.475 0.000 14.479) 14.487 4.104 ( -15.442 -0.000 2.407) 15.629 4.215 ( -9.461 -0.000 -9.673) 13.530 4.476 ( -0.490 -0.000 -13.093) 13.102 4.488 ( 5.160 0.000 -4.640) 6.940 4.813 ( -11.381 -0.000 -13.921) 17.982 4.913 ( -0.939 -0.000 -10.006) 10.050 4.966 ( 6.775 0.000 -11.019) 12.935 5.073 ( 4.924 0.000 -0.589) 4.959 5.291 ( -0.890 -0.000 -7.016) 7.072 5.310 ( 2.580 0.000 2.704) 3.737 5.499 ( 2.784 0.000 -1.709) 3.267 5.724 ( 0.484 0.000 -4.163) 4.191 5.883 ( 6.689 0.000 0.414) 6.702 6.002 ( 3.404 0.000 16.412) 16.761 6.098 ( -0.547 -0.000 -4.151) 4.186 6.159 ( 3.610 0.000 7.176) 8.033 6.435 ( -1.916 -0.000 0.162) 1.923 6.465 ( 17.337 0.000 -16.245) 23.759 6.713 ( -3.529 -0.000 8.675) 9.366 6.839 ( 0.102 0.000 -8.593) 8.594 7.006 ( 2.883 0.000 -9.375) 9.808 7.152 ( 20.833 0.000 -2.219) 20.950 7.191 ( -5.204 -0.000 -1.651) 5.459 7.202 ( -7.907 -0.000 4.554) 9.125 7.325 ( -8.674 -0.000 0.167) 8.676 7.603 ( 9.235 0.000 2.428) 9.549 7.681 ( -6.800 -0.000 4.923) 8.395 7.846 ( 3.527 0.000 10.286) 10.874 8.154 ( -3.294 -0.000 1.981) 3.844 8.666 ( 2.913 0.000 2.005) 3.536 8.774 ( -11.612 -0.000 -2.161) 11.811 8.821 ( 3.834 0.000 -3.981) 5.527 9.040 ( 2.140 0.000 -2.993) 3.680 9.336 ( -1.147 -0.000 -4.394) 4.541 9.601 ( 4.903 0.000 6.817) 8.398 9.602 ( -0.140 -0.000 2.650) 2.654 9.914 ( 2.226 0.000 -3.823) 4.424 10.369 ( 2.071 0.000 -4.981) 5.394 11.039 ( 1.064 0.000 -6.022) 6.116 11.094 ( 4.941 0.000 -15.033) 15.824 11.275 ( 4.367 0.000 -4.520) 6.285 12.225 ( -0.816 -0.000 -8.637) 8.676 12.546 ( 1.891 0.000 -2.943) 3.498 12.960 ( -6.393 -0.000 10.845) 12.589 12.971 ( 8.305 0.000 3.780) 9.125 13.285 ( -4.026 -0.000 0.653) 4.079 13.405 ( 4.283 0.000 2.351) 4.886 13.423 ( -3.886 -0.000 -3.766) 5.411 13.812 ( 13.661 0.000 3.121) 14.013 13.821 ( 4.452 0.000 1.035) 4.571 14.366 ( -6.604 -0.000 0.001) 6.604 14.435 ( -5.295 -0.000 2.574) 5.888 14.508 ( -11.392 -0.000 3.715) 11.983 15.269 ( -0.529 -0.000 6.296) 6.318 15.294 ( 3.266 0.000 0.641) 3.328 15.653 ( 1.799 0.000 0.631) 1.906 16.080 ( -22.968 -0.000 5.311) 23.574 16.568 ( 9.068 0.000 -6.719) 11.286 17.134 ( 0.799 0.000 1.729) 1.904 17.357 ( -5.685 -0.000 0.530) 5.709 18.144 ( -0.047 -0.000 -14.277) 14.277 18.607 ( 0.066 0.000 -0.659) 0.662 18.825 ( -0.164 -0.000 2.573) 2.578 19.085 ( 5.892 0.000 4.264) 7.274 19.389 ( 4.687 0.000 -5.744) 7.413 19.573 ( 1.663 0.000 -4.419) 4.722 19.766 ( -9.494 -0.000 2.598) 9.843 19.885 ( -3.060 -0.000 -3.108) 4.361 20.013 ( 0.807 0.000 -1.914) 2.077 20.279 ( 0.888 0.000 4.864) 4.944 20.500 ( 3.581 0.000 -1.223) 3.784 20.592 ( -3.522 -0.000 -3.907) 5.260 21.124 ( -3.451 -0.000 -2.300) 4.148 21.336 ( 8.100 0.000 2.297) 8.419 21.655 ( 0.067 0.000 7.197) 7.197 21.881 ( -9.863 -0.000 3.795) 10.568 22.230 ( -5.100 -0.000 -1.805) 5.410 22.302 ( 0.296 0.000 3.088) 3.103 22.416 ( 5.148 0.000 0.300) 5.157 22.880 ( -1.475 -0.000 -3.893) 4.163 22.977 ( 6.685 0.000 -1.854) 6.937 ======================= Grid point 51 (26/78) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -4.166 2.379 -8.835) 10.053 1.136 ( 0.132 -8.837 9.952) 13.310 1.206 ( 7.798 -5.106 12.812) 15.844 1.444 ( 0.879 -2.195 3.794) 4.470 1.609 ( -4.585 2.923 -3.346) 6.385 1.677 ( -0.116 -1.185 -7.135) 7.234 1.746 ( -5.236 2.160 0.497) 5.686 1.964 ( -7.324 2.861 -0.104) 7.863 2.074 ( -3.262 0.380 3.166) 4.561 2.331 ( 5.784 -4.170 0.522) 7.150 2.348 ( -3.276 1.445 10.594) 11.183 2.546 ( 10.219 1.485 3.722) 10.977 2.862 ( -9.769 6.611 21.657) 24.661 3.083 ( -18.308 -4.268 4.179) 19.258 3.201 ( -0.985 6.855 5.247) 8.689 3.363 ( -3.315 -10.169 5.388) 11.977 3.571 ( 0.721 1.980 7.254) 7.554 3.703 ( 1.129 2.177 9.612) 9.920 3.841 ( -7.676 -0.225 0.160) 7.681 3.894 ( 3.200 -0.156 -0.500) 3.243 3.993 ( -3.751 -8.651 3.282) 9.984 4.079 ( -3.692 -9.013 -5.094) 10.991 4.221 ( -1.026 -9.444 8.810) 12.955 4.361 ( 2.726 7.089 -9.687) 12.309 4.588 ( -5.663 -0.576 -11.767) 13.071 4.632 ( 4.670 -3.753 -4.164) 7.296 4.865 ( 3.199 4.152 -7.809) 9.405 4.925 ( 2.630 13.780 -1.497) 14.108 5.016 ( 4.139 4.403 -7.554) 9.673 5.304 ( 1.264 -3.193 -1.522) 3.756 5.372 ( 6.036 -1.034 -2.080) 6.468 5.593 ( 0.911 -3.611 -9.945) 10.619 5.688 ( -0.866 -3.569 -5.252) 6.408 5.893 ( 0.436 5.606 1.191) 5.748 6.046 ( 9.044 1.626 5.676) 10.800 6.196 ( 6.788 -0.760 8.611) 10.991 6.383 ( 2.324 -6.587 3.684) 7.897 6.435 ( 0.356 -1.970 -0.299) 2.025 6.515 ( -0.808 6.188 -0.111) 6.241 6.663 ( 3.827 2.069 -9.852) 10.770 6.735 ( -5.332 3.735 -10.487) 12.344 6.974 ( -6.800 5.768 -1.432) 9.031 6.994 ( 2.864 3.760 -0.122) 4.728 7.076 ( -3.431 0.147 -0.017) 3.434 7.255 ( -1.582 -4.554 -0.883) 4.901 7.486 ( 10.966 -5.994 -4.905) 13.425 7.631 ( -8.974 -3.986 6.010) 11.513 7.790 ( 15.904 3.487 -0.809) 16.302 7.971 ( 4.841 -1.913 8.111) 9.637 8.168 ( -5.430 -5.835 4.176) 8.999 8.532 ( -9.704 6.437 0.215) 11.646 8.709 ( 0.918 0.938 -2.652) 2.959 8.858 ( 2.461 2.818 -1.855) 4.176 9.001 ( 1.470 1.170 -4.469) 4.848 9.267 ( -2.149 1.649 -4.762) 5.478 9.542 ( 0.105 5.820 4.765) 7.523 9.748 ( 2.379 -3.781 6.983) 8.290 10.008 ( 3.372 -6.745 -4.850) 8.966 10.313 ( 0.772 4.801 -4.229) 6.444 11.031 ( 1.361 -0.595 -6.419) 6.589 11.106 ( 6.026 -1.043 -15.434) 16.601 11.282 ( 2.926 2.358 -3.086) 4.863 12.267 ( -0.297 -8.505 -11.537) 14.336 12.580 ( 0.997 -2.624 -2.649) 3.859 12.940 ( 0.020 3.731 4.360) 5.739 13.004 ( 1.412 3.165 4.679) 5.823 13.225 ( 0.515 4.700 6.641) 8.153 13.347 ( -2.834 -0.886 -2.350) 3.787 13.485 ( 5.502 0.134 -0.544) 5.531 13.888 ( -2.383 -0.004 0.873) 2.538 14.030 ( 1.124 -8.636 -0.740) 8.740 14.294 ( -0.397 0.095 1.571) 1.623 14.402 ( 3.276 0.617 6.226) 7.062 14.472 ( -5.123 -4.858 3.815) 8.025 15.265 ( -0.644 1.841 3.405) 3.924 15.318 ( -1.828 -0.595 1.855) 2.672 15.674 ( -3.787 -0.047 4.391) 5.799 15.891 ( -8.369 -1.507 10.154) 13.244 16.635 ( 5.160 -1.496 -10.669) 11.946 17.123 ( -0.590 2.436 0.883) 2.658 17.312 ( -4.171 -2.443 1.849) 5.175 17.938 ( -1.709 11.276 -10.187) 15.292 18.634 ( -0.496 -2.894 -0.669) 3.012 18.878 ( -0.399 -5.271 2.285) 5.759 19.118 ( 2.708 3.374 2.939) 5.230 19.294 ( -7.744 13.297 5.833) 16.456 19.413 ( 2.578 2.101 -7.196) 7.927 19.718 ( 4.280 1.170 -2.377) 5.034 19.899 ( -0.713 -1.287 -2.773) 3.139 20.122 ( -1.996 -7.283 -1.321) 7.666 20.394 ( 0.231 -8.616 -1.394) 8.731 20.530 ( -0.006 0.203 -2.631) 2.639 20.584 ( -0.632 -5.528 -0.227) 5.569 21.012 ( 1.289 8.124 -1.681) 8.396 21.458 ( 1.466 -3.503 2.633) 4.621 21.665 ( -2.184 2.020 5.947) 6.650 21.857 ( 0.827 -2.315 3.924) 4.630 22.166 ( -3.387 -0.766 -2.623) 4.352 22.325 ( -0.651 -0.754 3.240) 3.390 22.491 ( 5.655 -0.179 1.137) 5.771 22.832 ( -2.853 0.219 -4.002) 4.920 23.030 ( 5.231 1.345 -3.735) 6.567 ======================= Grid point 52 (27/78) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.226 1.876 -2.608) 3.221 1.222 ( -3.357 -1.066 0.364) 3.541 1.454 ( 12.316 -1.300 5.331) 13.483 1.471 ( -1.088 5.034 -4.237) 6.669 1.523 ( 1.076 -1.491 1.313) 2.259 1.616 ( -9.390 0.814 1.299) 9.515 1.714 ( -0.751 -3.379 -0.176) 3.466 1.797 ( -9.067 2.035 4.967) 10.537 2.006 ( -7.447 -3.396 -1.715) 8.363 2.386 ( -0.614 -2.091 7.173) 7.497 2.476 ( 2.470 -4.170 2.379) 5.399 2.589 ( 5.631 6.283 7.020) 10.975 2.712 ( -6.765 4.080 9.804) 12.591 2.976 ( -10.087 1.514 17.769) 20.489 3.254 ( 0.853 -9.581 -2.206) 9.868 3.412 ( -1.538 10.095 4.352) 11.101 3.651 ( -3.832 -16.871 12.264) 21.207 3.684 ( -7.728 -2.288 2.969) 8.589 3.741 ( -3.835 -0.612 4.343) 5.826 3.902 ( 3.704 5.605 -3.052) 7.379 4.148 ( 3.822 4.516 4.316) 7.324 4.207 ( -1.524 1.447 1.875) 2.817 4.296 ( 2.889 -8.666 2.256) 9.410 4.421 ( 8.119 -5.163 1.313) 9.711 4.568 ( -3.717 -5.054 -2.351) 6.700 4.645 ( -10.586 -3.947 -1.756) 11.434 4.710 ( 8.409 0.674 -5.525) 10.084 4.875 ( 6.157 7.058 -5.584) 10.904 4.997 ( 2.061 0.664 -4.128) 4.662 5.322 ( 3.386 5.698 0.301) 6.635 5.393 ( -4.150 -5.364 -11.626) 13.459 5.575 ( 1.398 0.148 -10.077) 10.175 5.771 ( 1.130 -5.025 -5.356) 7.431 5.874 ( 7.236 0.573 3.261) 7.958 6.173 ( -1.562 8.515 -0.331) 8.664 6.199 ( 3.563 -2.410 5.981) 7.367 6.309 ( -2.354 6.093 -2.164) 6.881 6.375 ( -1.589 7.250 -6.647) 9.964 6.506 ( 2.887 -0.619 3.000) 4.209 6.570 ( 2.563 5.085 -5.618) 7.999 6.651 ( -1.741 -0.708 -5.793) 6.090 6.818 ( -1.942 4.194 4.225) 6.262 7.039 ( -5.753 -1.714 -2.292) 6.426 7.070 ( 5.432 -2.218 -3.713) 6.943 7.331 ( -1.629 -6.408 -3.577) 7.518 7.633 ( -10.799 -7.302 9.163) 15.934 7.688 ( 2.793 -6.274 -5.094) 8.551 7.836 ( 17.456 11.164 -1.574) 20.781 8.056 ( 0.142 -0.254 2.141) 2.160 8.213 ( -11.278 -3.436 9.752) 15.300 8.327 ( 1.250 4.404 -2.281) 5.115 8.710 ( 2.712 0.339 -3.357) 4.329 8.759 ( 3.297 7.703 1.300) 8.479 9.062 ( 1.505 -6.257 -8.725) 10.842 9.191 ( -3.981 0.604 -1.696) 4.369 9.476 ( -0.744 3.843 5.580) 6.816 9.814 ( -1.044 0.878 7.437) 7.562 10.137 ( 3.562 -5.013 -4.987) 7.917 10.218 ( 0.558 4.730 -5.439) 7.230 11.039 ( 2.183 -0.955 -6.892) 7.292 11.135 ( 5.802 -0.970 -15.865) 16.920 11.255 ( 1.077 2.318 -1.547) 2.987 12.347 ( 2.338 -5.290 -13.039) 14.265 12.622 ( -0.094 -2.802 -1.882) 3.377 12.826 ( 2.667 8.950 -2.920) 9.784 13.059 ( -2.833 -5.920 5.218) 8.385 13.164 ( -1.668 5.424 10.888) 12.278 13.398 ( 4.273 -2.990 1.210) 5.354 13.546 ( 5.344 0.387 -2.648) 5.976 13.704 ( -12.342 6.718 4.869) 14.872 14.101 ( -7.369 -1.524 -0.721) 7.559 14.318 ( 11.150 1.702 -0.526) 11.292 14.495 ( -1.766 -2.878 1.352) 3.637 14.616 ( 5.293 -7.004 5.726) 10.481 15.234 ( -1.441 1.430 2.717) 3.392 15.288 ( -7.532 -2.078 2.381) 8.168 15.601 ( -3.990 1.872 5.962) 7.414 16.009 ( 6.423 -4.504 10.585) 13.175 16.645 ( -2.928 -3.337 -11.555) 12.378 17.061 ( -1.176 2.509 0.458) 2.808 17.360 ( -0.393 -4.735 3.924) 6.162 17.716 ( -0.975 8.012 -4.811) 9.396 18.689 ( 0.372 -3.593 0.904) 3.723 18.987 ( 0.329 -3.272 3.400) 4.730 19.029 ( -5.464 5.575 -1.082) 7.881 19.121 ( 0.885 2.574 6.257) 6.824 19.383 ( 2.785 2.013 -5.749) 6.697 19.708 ( 0.749 1.582 -5.128) 5.419 19.903 ( 1.018 -0.767 -3.511) 3.735 20.197 ( -1.716 -4.252 1.408) 4.797 20.477 ( 1.154 -1.183 -3.848) 4.188 20.520 ( -1.116 -2.316 -4.094) 4.834 20.700 ( -3.318 -8.917 0.797) 9.548 20.911 ( 10.538 10.896 -0.452) 15.165 21.501 ( -0.086 1.426 3.725) 3.989 21.585 ( -5.340 2.109 4.149) 7.084 21.975 ( 1.246 -6.586 1.519) 6.873 22.152 ( 0.227 -1.400 -2.859) 3.192 22.336 ( -0.965 -0.239 3.048) 3.206 22.554 ( 1.820 0.187 0.706) 1.961 22.780 ( -1.397 -0.096 -3.137) 3.435 23.031 ( 2.903 2.546 -4.614) 6.017 ======================= Grid point 53 (28/78) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 3.126 1.935 4.629) 5.912 1.164 ( -4.646 3.054 5.627) 7.910 1.406 ( 6.761 4.973 -2.376) 8.722 1.463 ( -3.787 4.983 5.944) 8.632 1.527 ( -6.274 -5.195 -2.386) 8.488 1.560 ( 3.647 5.457 7.552) 10.005 1.769 ( -1.648 -4.497 0.015) 4.789 1.804 ( 4.614 -4.221 4.360) 7.624 2.005 ( -5.840 -4.749 -2.040) 7.799 2.362 ( -1.809 4.161 -1.871) 4.908 2.502 ( -2.347 6.376 4.599) 8.204 2.539 ( -3.682 2.830 4.366) 6.374 2.716 ( -0.698 -4.400 15.998) 16.606 3.060 ( -1.117 -12.198 15.322) 19.616 3.235 ( -2.187 7.329 7.415) 10.652 3.415 ( 3.866 -5.724 -2.119) 7.225 3.621 ( -4.418 6.622 10.552) 13.218 3.659 ( -6.973 6.203 8.529) 12.643 3.708 ( 2.492 7.861 -6.260) 10.354 3.998 ( 1.026 -4.972 5.415) 7.423 4.129 ( 7.878 -0.701 0.752) 7.945 4.216 ( -5.152 -7.261 3.888) 9.715 4.406 ( -0.246 10.235 0.752) 10.266 4.560 ( -2.177 -10.550 2.632) 11.089 4.578 ( -1.841 -10.821 -5.881) 12.453 4.684 ( -2.448 2.447 -3.907) 5.220 4.694 ( 0.085 1.256 -5.709) 5.846 4.916 ( 3.977 -4.812 -8.080) 10.211 5.044 ( -1.426 -8.159 -1.352) 8.393 5.230 ( -1.687 -0.202 -5.394) 5.655 5.464 ( 3.226 -5.452 -3.116) 7.060 5.516 ( 6.589 6.173 -4.799) 10.224 5.811 ( -1.113 -0.269 -6.309) 6.412 5.915 ( -5.488 9.174 0.483) 10.701 5.999 ( -0.476 3.870 -1.912) 4.343 6.107 ( 0.461 1.739 -4.090) 4.469 6.253 ( 6.041 0.053 -1.559) 6.239 6.448 ( 5.332 6.637 0.407) 8.523 6.454 ( -5.925 -4.528 -6.051) 9.603 6.514 ( 9.721 3.383 5.233) 11.547 6.700 ( 4.006 0.464 -0.908) 4.133 6.760 ( 1.060 0.517 -2.352) 2.631 6.938 ( -8.135 -1.887 -5.349) 9.917 7.141 ( -2.526 -4.547 -1.905) 5.539 7.399 ( -1.119 -5.342 -2.437) 5.977 7.608 ( 2.741 10.301 -0.318) 10.664 7.632 ( -16.521 -5.080 6.518) 18.472 7.862 ( 5.092 9.518 1.946) 10.969 7.982 ( -2.813 5.360 0.545) 6.078 8.209 ( 4.183 -3.320 2.793) 6.026 8.431 ( 4.259 -5.908 4.548) 8.586 8.675 ( -0.609 0.187 -2.395) 2.479 8.803 ( 7.685 -0.975 -1.534) 7.897 9.057 ( -6.870 -1.171 -5.583) 8.930 9.208 ( 2.600 -4.298 -4.036) 6.444 9.453 ( -2.102 -1.023 5.548) 6.021 9.765 ( -2.090 5.843 7.088) 9.421 10.113 ( 0.671 5.507 -6.297) 8.393 10.221 ( 2.680 -2.870 -3.831) 5.486 11.052 ( 2.302 -0.467 -6.543) 6.951 11.137 ( 4.424 0.317 -15.712) 16.326 11.227 ( 0.814 1.093 -1.989) 2.411 12.388 ( 5.821 0.175 -13.631) 14.823 12.671 ( 0.707 -2.932 -1.207) 3.248 12.708 ( 2.447 6.383 -3.373) 7.623 13.102 ( -5.048 3.617 14.899) 16.141 13.152 ( -3.142 -7.881 0.103) 8.485 13.445 ( -9.185 5.123 4.517) 11.446 13.514 ( 3.221 -2.276 0.810) 4.026 13.618 ( 8.133 3.290 0.772) 8.807 13.967 ( -4.707 5.855 2.184) 7.823 14.423 ( 14.613 6.366 -6.403) 17.178 14.515 ( -8.430 -6.588 1.412) 10.792 14.739 ( -4.760 -3.649 3.536) 6.962 15.194 ( -7.142 -1.604 7.814) 10.707 15.259 ( 0.810 0.448 -0.499) 1.051 15.595 ( 3.012 1.225 2.899) 4.357 16.236 ( 10.839 -3.186 8.343) 14.044 16.558 ( -14.957 -5.017 -8.527) 17.933 17.046 ( 1.578 -0.247 1.106) 1.943 17.461 ( -1.385 -3.056 3.101) 4.569 17.644 ( 2.181 -3.756 1.825) 4.711 18.760 ( 0.553 -1.701 2.406) 2.998 18.863 ( -2.572 4.878 -1.213) 5.647 18.979 ( 1.127 6.697 6.710) 9.547 19.228 ( 0.037 -10.785 -3.037) 11.205 19.377 ( 3.192 0.783 -2.796) 4.315 19.663 ( -1.218 0.170 -4.295) 4.467 19.922 ( 1.353 -1.183 -2.711) 3.252 20.226 ( -2.975 -1.879 1.514) 3.831 20.473 ( 2.176 1.568 -2.184) 3.459 20.510 ( -0.650 0.132 -7.893) 7.921 20.752 ( -1.185 -0.251 -1.151) 1.671 20.945 ( 13.603 4.214 1.277) 14.298 21.408 ( -3.653 5.201 1.475) 6.525 21.573 ( -0.728 -1.037 5.846) 5.981 22.072 ( -5.947 -6.904 -0.682) 9.138 22.199 ( 4.316 -1.834 -2.431) 5.283 22.336 ( -1.097 -0.098 2.255) 2.510 22.502 ( -5.576 2.456 -1.959) 6.401 22.800 ( 3.419 -1.219 -0.159) 3.634 22.981 ( 0.830 3.344 -4.578) 5.729 ======================= Grid point 54 (29/78) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 3.794 2.119 9.797) 10.718 1.047 ( -6.730 4.297 13.712) 15.868 1.308 ( -9.657 5.048 -2.270) 11.131 1.414 ( -1.990 1.063 2.097) 3.080 1.535 ( 12.423 5.006 5.424) 14.451 1.616 ( 3.660 0.613 6.889) 7.825 1.813 ( -3.468 -4.923 1.189) 6.139 1.979 ( -0.805 0.245 2.733) 2.860 2.014 ( 7.703 -5.738 2.650) 9.965 2.246 ( -2.233 4.777 -0.777) 5.330 2.339 ( -3.330 6.190 0.460) 7.044 2.461 ( -4.126 0.755 6.160) 7.453 2.919 ( -6.479 -10.562 20.551) 23.998 3.175 ( -1.846 -2.005 7.698) 8.166 3.375 ( -0.296 10.974 15.126) 18.690 3.426 ( 7.006 -4.416 8.924) 12.175 3.505 ( 1.416 -2.819 -0.902) 3.281 3.560 ( -8.496 -1.173 -4.774) 9.816 3.689 ( 3.397 -2.390 2.700) 4.954 3.941 ( -3.238 7.144 -1.975) 8.089 4.126 ( 3.084 13.126 7.348) 15.356 4.195 ( -2.929 3.643 1.826) 5.019 4.358 ( -2.924 -0.966 -4.019) 5.063 4.518 ( -3.984 -2.898 -11.224) 12.257 4.561 ( -8.063 -2.413 -7.700) 11.407 4.713 ( -0.504 -6.393 -5.638) 8.539 4.822 ( 1.805 -13.100 -2.266) 13.417 5.047 ( -3.047 -6.290 -9.865) 12.090 5.131 ( -3.971 -6.398 -3.462) 8.288 5.193 ( 2.764 -4.349 -5.073) 7.231 5.404 ( -3.473 14.153 -2.669) 14.816 5.556 ( 4.517 5.502 -1.055) 7.197 5.694 ( 8.016 1.855 1.370) 8.341 5.803 ( -0.383 3.511 0.431) 3.558 5.966 ( -1.340 -6.512 -5.536) 8.651 6.056 ( -1.881 3.974 1.121) 4.537 6.304 ( 4.921 6.528 -5.889) 10.075 6.361 ( 1.802 1.951 0.017) 2.656 6.507 ( -3.969 3.516 -3.092) 6.137 6.592 ( 10.326 -3.745 1.806) 11.132 6.735 ( 18.480 0.144 3.743) 18.856 6.902 ( -1.636 -6.611 0.412) 6.823 6.926 ( 2.410 -6.071 -6.513) 9.224 7.167 ( -4.461 -5.708 0.768) 7.285 7.382 ( -6.384 5.768 -1.461) 8.726 7.470 ( -15.808 -4.146 0.755) 16.360 7.528 ( 7.781 4.406 -0.118) 8.942 7.802 ( -3.136 3.946 6.455) 8.189 7.838 ( -1.226 7.262 5.528) 9.209 8.234 ( -0.485 5.145 1.547) 5.394 8.568 ( 1.728 -4.035 4.578) 6.343 8.754 ( 5.952 -3.423 -4.309) 8.106 8.922 ( 3.263 0.010 -6.433) 7.213 8.954 ( -7.317 -5.168 2.171) 9.217 9.292 ( 3.421 -3.978 -7.112) 8.838 9.515 ( -2.353 -5.893 5.705) 8.533 9.648 ( 0.223 8.542 6.258) 10.591 9.991 ( 1.313 6.907 -5.545) 8.955 10.301 ( 2.813 -4.423 -3.007) 6.043 11.052 ( 1.585 0.153 -6.052) 6.258 11.110 ( 4.069 0.729 -15.237) 15.787 11.232 ( 2.607 -0.592 -3.114) 4.104 12.343 ( 4.131 6.480 -13.188) 15.263 12.583 ( 0.673 5.189 -3.319) 6.196 12.803 ( 4.775 -5.574 2.322) 7.699 13.026 ( -7.001 2.673 12.067) 14.205 13.249 ( -2.908 -7.078 1.410) 7.781 13.350 ( -3.066 -0.789 6.375) 7.117 13.511 ( -3.318 1.005 -3.025) 4.601 13.697 ( 14.042 6.076 2.662) 15.530 13.838 ( 0.987 6.581 1.595) 6.843 14.423 ( 5.668 5.001 -5.213) 9.182 14.494 ( -8.102 -2.910 0.168) 8.611 14.664 ( -14.661 -1.912 2.889) 15.065 15.215 ( 0.074 -1.658 7.138) 7.328 15.269 ( 2.317 1.144 0.859) 2.723 15.629 ( 3.386 0.860 0.211) 3.500 16.341 ( -12.124 1.849 -3.324) 12.707 16.458 ( 1.388 -5.576 0.884) 5.813 17.096 ( 1.683 -1.463 1.621) 2.757 17.429 ( -4.286 0.795 0.526) 4.391 17.940 ( 5.842 -18.214 0.777) 19.144 18.685 ( -1.872 5.696 -2.118) 6.359 18.839 ( 1.338 2.350 2.571) 3.732 18.962 ( 3.103 -0.597 7.545) 8.180 19.353 ( 5.944 0.158 -6.907) 9.113 19.458 ( -1.150 -10.655 -0.389) 10.724 19.660 ( -2.796 -5.525 -0.772) 6.240 19.942 ( -0.233 -0.944 -1.635) 1.902 20.197 ( -3.177 1.897 -1.003) 3.834 20.387 ( 1.865 12.155 -6.237) 13.788 20.475 ( 3.340 1.435 -2.129) 4.213 20.682 ( -0.290 5.262 -3.582) 6.372 21.068 ( 2.416 -5.392 -0.207) 5.912 21.312 ( 3.754 6.378 2.442) 7.793 21.616 ( 0.287 -0.645 6.760) 6.797 22.032 ( -14.719 -4.216 -3.159) 15.634 22.255 ( 0.519 -1.051 -1.225) 1.696 22.351 ( -3.552 -1.347 2.074) 4.329 22.361 ( 1.200 4.635 -0.671) 4.835 22.881 ( 4.534 -1.409 0.912) 4.835 22.921 ( 0.916 1.915 -4.092) 4.610 ======================= Grid point 56 (30/78) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -7.144 -0.000 -8.947) 11.449 1.113 ( 2.002 0.000 14.913) 15.047 1.329 ( 4.856 0.000 10.448) 11.521 1.429 ( -2.470 -0.000 3.825) 4.553 1.471 ( -9.029 -0.000 -4.608) 10.137 1.639 ( -0.201 -0.000 -9.346) 9.349 1.649 ( -6.045 -0.000 -8.414) 10.360 2.018 ( 1.309 0.000 0.566) 1.426 2.085 ( 1.205 0.000 3.234) 3.451 2.272 ( -11.149 -0.000 12.694) 16.895 2.332 ( 0.536 0.000 -0.355) 0.643 2.617 ( -8.545 -0.000 14.417) 16.759 2.898 ( -7.496 -0.000 -1.971) 7.751 2.965 ( 7.409 0.000 7.504) 10.545 3.229 ( -4.201 -0.000 9.710) 10.580 3.433 ( -9.228 -0.000 2.370) 9.527 3.484 ( 3.260 0.000 18.145) 18.436 3.585 ( -13.018 -0.000 -4.709) 13.844 3.769 ( -5.427 -0.000 10.780) 12.069 3.935 ( 4.667 0.000 2.545) 5.316 3.968 ( 1.969 0.000 -1.114) 2.263 4.003 ( 0.739 0.000 1.452) 1.630 4.101 ( -3.836 -0.000 8.484) 9.311 4.449 ( 2.593 0.000 -4.206) 4.941 4.495 ( 6.197 0.000 -14.344) 15.626 4.623 ( -0.505 -0.000 -8.691) 8.706 4.886 ( 8.670 0.000 -5.963) 10.522 5.024 ( 2.152 0.000 -6.459) 6.808 5.198 ( 4.822 0.000 -3.400) 5.900 5.318 ( 5.963 0.000 -2.590) 6.501 5.458 ( 4.951 0.000 0.320) 4.961 5.580 ( -1.062 -0.000 -7.300) 7.377 5.586 ( 5.440 0.000 -9.518) 10.963 5.959 ( 0.493 0.000 5.027) 5.051 6.188 ( 2.849 0.000 3.090) 4.203 6.301 ( 1.820 0.000 12.066) 12.203 6.376 ( 8.110 0.000 6.868) 10.628 6.379 ( -11.374 -0.000 0.729) 11.397 6.495 ( -0.232 -0.000 -0.680) 0.718 6.723 ( 8.419 0.000 -8.696) 12.104 6.787 ( -1.360 -0.000 -9.567) 9.663 6.864 ( -8.595 -0.000 -7.453) 11.376 6.918 ( -4.401 -0.000 -2.996) 5.324 7.149 ( -6.561 -0.000 10.201) 12.129 7.181 ( 10.050 0.000 -8.648) 13.258 7.442 ( -11.496 -0.000 2.765) 11.824 7.466 ( 2.946 0.000 -5.040) 5.838 8.032 ( -11.089 -0.000 8.273) 13.835 8.070 ( 5.570 0.000 7.881) 9.650 8.163 ( 23.275 0.000 -2.528) 23.412 8.467 ( -4.290 -0.000 -8.356) 9.393 8.748 ( 2.559 0.000 -2.226) 3.392 8.842 ( 0.335 0.000 -5.463) 5.473 9.016 ( -1.273 -0.000 -2.995) 3.254 9.218 ( -4.670 -0.000 -4.399) 6.416 9.608 ( -1.896 -0.000 4.443) 4.830 9.795 ( 3.498 0.000 7.864) 8.607 9.964 ( 3.670 0.000 -3.423) 5.019 10.342 ( -0.443 -0.000 -4.175) 4.198 11.015 ( 1.322 0.000 -5.652) 5.805 11.112 ( 7.430 0.000 -17.202) 18.738 11.332 ( 2.462 0.000 -3.095) 3.954 12.130 ( -0.175 -0.000 -7.476) 7.479 12.565 ( 1.073 0.000 -2.022) 2.289 12.940 ( -3.104 -0.000 10.151) 10.614 13.156 ( 1.346 0.000 -5.928) 6.079 13.235 ( 1.206 0.000 0.861) 1.482 13.338 ( 2.087 0.000 3.287) 3.893 13.587 ( 7.393 0.000 -0.579) 7.415 13.834 ( -13.043 -0.000 5.341) 14.095 13.889 ( 0.247 0.000 -3.757) 3.765 14.253 ( -6.812 -0.000 11.886) 13.700 14.490 ( 5.171 0.000 11.971) 13.040 14.547 ( 14.666 0.000 -4.148) 15.242 15.238 ( -11.114 -0.000 3.582) 11.677 15.275 ( -1.209 -0.000 -0.530) 1.320 15.639 ( -4.651 -0.000 5.922) 7.530 15.900 ( 4.577 0.000 11.102) 12.008 16.622 ( 2.972 0.000 -12.848) 13.187 17.159 ( 0.384 0.000 1.775) 1.817 17.235 ( -4.030 -0.000 3.725) 5.488 17.917 ( -5.146 -0.000 -16.504) 17.287 18.609 ( 0.489 0.000 -0.886) 1.012 18.819 ( -2.008 -0.000 2.584) 3.273 19.123 ( -5.113 -0.000 -0.258) 5.120 19.378 ( -1.285 -0.000 -5.585) 5.731 19.476 ( -0.420 -0.000 7.998) 8.009 19.802 ( -1.339 -0.000 -1.900) 2.324 19.803 ( 3.566 0.000 -2.700) 4.473 20.006 ( 0.550 0.000 -3.485) 3.528 20.314 ( -1.000 -0.000 2.511) 2.703 20.524 ( 1.028 0.000 -1.631) 1.928 20.573 ( 1.968 0.000 0.009) 1.968 21.118 ( 4.159 0.000 -0.667) 4.212 21.480 ( 4.461 0.000 4.170) 6.107 21.702 ( -1.617 -0.000 6.559) 6.755 21.787 ( -7.131 -0.000 0.661) 7.161 22.130 ( 1.208 0.000 -3.599) 3.796 22.323 ( -1.057 -0.000 3.359) 3.522 22.576 ( 5.618 0.000 2.086) 5.993 22.782 ( -2.462 -0.000 -3.947) 4.652 23.084 ( 4.088 0.000 -5.277) 6.675 ======================= Grid point 57 (31/78) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -6.298 -7.036 -3.357) 10.022 1.153 ( -7.083 1.894 0.785) 7.373 1.325 ( -5.454 -6.441 0.074) 8.440 1.429 ( -4.388 -4.158 0.438) 6.061 1.522 ( 2.277 -4.645 5.570) 7.601 1.625 ( -2.082 -3.775 -4.360) 6.131 1.634 ( 6.381 -1.127 -2.376) 6.902 1.912 ( 4.428 11.641 -0.675) 12.473 2.016 ( -2.762 7.059 6.668) 10.096 2.288 ( -5.002 -7.277 10.024) 13.359 2.450 ( 3.169 -6.607 -0.269) 7.333 2.597 ( -8.526 -4.731 13.760) 16.864 2.723 ( -7.040 8.269 3.472) 11.402 3.084 ( 0.322 5.044 8.685) 10.049 3.152 ( -4.409 -2.002 3.629) 6.052 3.389 ( -9.485 -7.370 -0.002) 12.012 3.474 ( -1.276 -4.954 12.617) 13.615 3.523 ( -4.597 3.062 4.524) 7.139 3.785 ( -0.089 1.918 7.665) 7.902 3.989 ( 0.564 1.123 -2.145) 2.486 4.084 ( 1.905 -7.914 2.950) 8.658 4.124 ( -1.901 -12.168 -4.946) 13.272 4.168 ( -1.495 -8.779 7.928) 11.924 4.455 ( 1.997 5.188 -4.478) 7.139 4.498 ( 9.961 0.105 -2.192) 10.200 4.642 ( 6.098 -1.099 -0.948) 6.268 4.887 ( -1.772 12.536 1.820) 12.791 5.022 ( 6.940 -1.112 -6.525) 9.591 5.154 ( 5.428 8.292 -2.968) 10.346 5.301 ( 0.884 5.902 -7.336) 9.457 5.441 ( 3.313 1.784 -5.813) 6.925 5.573 ( 3.740 -1.039 -6.751) 7.787 5.694 ( 4.496 -3.044 -2.741) 6.082 5.972 ( 2.102 0.107 0.802) 2.253 6.167 ( -4.597 1.916 3.007) 5.818 6.255 ( -1.517 1.379 4.924) 5.334 6.387 ( -1.702 5.221 -2.726) 6.131 6.446 ( -2.724 -4.565 4.097) 6.711 6.502 ( -1.543 5.313 -4.075) 6.871 6.576 ( 1.378 2.073 -7.175) 7.594 6.706 ( 3.349 4.163 -7.004) 8.810 6.783 ( -3.852 -1.965 -4.925) 6.554 6.966 ( -5.004 -1.448 7.271) 8.945 7.088 ( 1.845 -0.938 -1.181) 2.384 7.281 ( 5.096 2.276 -4.283) 7.035 7.388 ( -8.372 -5.154 5.311) 11.174 7.585 ( 6.208 -10.353 -3.930) 12.695 7.949 ( -12.439 -4.481 7.858) 15.380 8.153 ( 1.957 0.782 6.500) 6.833 8.257 ( 11.664 10.198 -4.332) 16.088 8.438 ( 6.922 3.090 -6.777) 10.168 8.720 ( -0.940 1.602 -2.520) 3.131 8.848 ( -1.612 -0.074 -6.495) 6.693 8.964 ( -0.396 -1.415 -4.081) 4.337 9.131 ( -2.418 1.398 -4.213) 5.055 9.552 ( -2.968 4.597 6.629) 8.595 9.856 ( -0.400 0.056 8.329) 8.339 10.062 ( 3.815 -6.198 -5.203) 8.947 10.280 ( -0.394 3.863 -3.827) 5.452 11.020 ( 2.042 -0.961 -5.669) 6.102 11.136 ( 7.699 -0.230 -18.552) 20.087 11.312 ( 0.544 3.032 -0.790) 3.180 12.188 ( 1.829 -8.200 -9.293) 12.528 12.581 ( 0.440 -1.656 -1.476) 2.262 12.944 ( -2.191 1.494 6.490) 7.011 13.034 ( -1.012 4.781 -4.252) 6.477 13.249 ( -1.227 3.750 4.326) 5.855 13.416 ( 4.975 -1.813 5.054) 7.320 13.672 ( 1.795 0.005 3.705) 4.117 13.681 ( -1.217 5.065 -3.047) 6.035 13.903 ( -5.674 -6.552 -2.877) 9.132 14.270 ( -6.782 -4.656 11.094) 13.811 14.629 ( 9.870 1.241 9.054) 13.451 14.677 ( 5.278 1.455 -0.450) 5.494 15.117 ( -8.894 -1.776 3.080) 9.578 15.248 ( -1.223 -0.547 -3.635) 3.874 15.631 ( 0.917 0.695 4.564) 4.706 16.039 ( 1.473 -3.256 12.597) 13.094 16.601 ( 4.851 2.021 -10.570) 11.805 17.117 ( 0.045 4.034 2.640) 4.821 17.289 ( -0.069 -4.969 4.747) 6.872 17.734 ( -5.524 3.984 -13.029) 14.702 18.645 ( 1.365 -3.362 -0.284) 3.639 18.852 ( -2.681 -5.735 1.330) 6.470 19.022 ( -5.905 2.470 0.437) 6.416 19.313 ( -0.960 4.050 -0.784) 4.236 19.419 ( 2.428 7.224 4.677) 8.942 19.770 ( 3.589 3.623 -6.584) 8.328 19.852 ( -1.072 -3.247 -2.471) 4.219 20.075 ( -0.593 -7.037 -1.210) 7.165 20.355 ( -1.481 -5.367 -1.149) 5.685 20.533 ( 2.463 1.211 -1.252) 3.017 20.606 ( -0.068 -2.114 0.394) 2.151 21.158 ( 8.058 3.183 0.001) 8.663 21.552 ( -0.166 0.132 2.059) 2.070 21.588 ( -2.898 5.352 3.488) 7.015 21.809 ( -6.086 -7.463 3.301) 10.180 22.153 ( 3.551 -0.685 -3.634) 5.126 22.322 ( -1.967 -0.415 2.945) 3.566 22.617 ( 1.942 3.129 1.313) 3.910 22.761 ( 1.040 -1.363 -1.834) 2.511 23.084 ( 2.429 2.039 -6.291) 7.045 ======================= Grid point 58 (32/78) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.533 -7.526 0.649) 7.573 1.077 ( -4.968 -5.538 2.530) 7.859 1.321 ( -3.733 -1.308 -3.361) 5.191 1.440 ( 0.946 -1.577 -0.991) 2.089 1.575 ( -3.519 4.656 1.348) 5.990 1.693 ( 2.429 -0.163 1.410) 2.813 1.755 ( 0.773 -11.210 6.742) 13.104 1.889 ( 11.319 2.050 1.392) 11.587 1.907 ( 0.191 6.929 6.808) 9.716 2.404 ( 1.124 0.879 -1.708) 2.226 2.466 ( -7.594 -2.057 4.554) 9.090 2.526 ( -6.586 3.362 9.614) 12.128 2.724 ( -1.385 -6.775 2.493) 7.351 2.981 ( -3.729 2.233 18.836) 19.331 3.187 ( -10.189 -2.942 5.333) 11.871 3.418 ( 2.560 -8.051 1.542) 8.588 3.511 ( -1.058 -5.363 5.174) 7.527 3.735 ( 1.298 -3.169 10.097) 10.662 3.800 ( -1.004 -4.037 2.915) 5.079 3.888 ( -1.963 2.717 -1.028) 3.506 4.148 ( 1.884 3.545 -2.898) 4.951 4.177 ( -6.890 -5.200 -2.012) 8.864 4.338 ( -0.833 -3.701 -3.899) 5.440 4.399 ( -6.879 -1.499 7.947) 10.617 4.574 ( 6.355 3.447 -3.122) 7.874 4.661 ( 2.947 1.621 1.154) 3.556 4.838 ( 3.141 1.451 1.575) 3.802 4.972 ( 2.437 7.676 -3.755) 8.886 5.049 ( 3.389 9.490 -2.687) 10.429 5.224 ( 4.257 0.632 -5.392) 6.899 5.437 ( 3.691 -0.630 -1.275) 3.956 5.631 ( 2.452 -4.081 -8.183) 9.468 5.760 ( 5.496 2.285 -0.398) 5.965 6.031 ( 1.441 0.699 -1.598) 2.263 6.048 ( -2.856 5.605 -2.085) 6.627 6.138 ( -2.696 7.781 -7.889) 11.404 6.301 ( 2.370 -4.098 -3.866) 6.112 6.320 ( -3.311 4.511 -2.613) 6.176 6.514 ( -0.220 -3.054 -4.975) 5.842 6.655 ( 1.239 -7.568 -1.435) 7.802 6.678 ( -2.877 2.365 -6.463) 7.459 6.711 ( 1.457 0.620 4.594) 4.859 6.936 ( 0.318 3.505 8.709) 9.393 7.133 ( 0.923 1.897 -3.425) 4.022 7.267 ( -0.781 -2.577 -1.725) 3.198 7.410 ( -4.384 -3.413 5.009) 7.481 7.721 ( 0.507 0.835 -2.700) 2.871 7.998 ( -2.141 -4.399 5.805) 7.592 8.136 ( -1.029 8.638 -0.136) 8.700 8.213 ( 7.636 1.012 0.381) 7.713 8.433 ( 4.862 1.179 1.952) 5.370 8.657 ( -2.689 1.262 -3.379) 4.499 8.771 ( -7.448 -3.110 -6.030) 10.075 9.020 ( 6.510 1.704 -5.746) 8.849 9.116 ( -0.010 -5.310 -1.387) 5.488 9.465 ( -3.407 3.342 6.060) 7.714 9.852 ( -2.284 2.483 7.717) 8.422 10.176 ( 3.004 -4.387 -6.612) 8.484 10.186 ( 0.499 4.650 -3.998) 6.153 11.042 ( 2.376 -0.907 -5.841) 6.371 11.144 ( 6.768 0.734 -18.440) 19.657 11.258 ( -0.409 2.509 -0.100) 2.544 12.325 ( 4.461 -7.390 -11.864) 14.671 12.625 ( 1.263 -3.342 -1.334) 3.814 12.836 ( -0.518 7.357 -3.301) 8.081 13.018 ( -2.517 -3.783 3.221) 5.570 13.180 ( -2.342 5.396 10.670) 12.184 13.435 ( -6.212 2.833 2.971) 7.446 13.553 ( 1.515 3.521 1.244) 4.030 13.808 ( 14.044 0.035 -3.003) 14.362 13.922 ( -5.948 -4.796 1.319) 7.754 14.302 ( -8.008 -5.671 5.780) 11.389 14.589 ( -10.110 3.345 3.901) 11.341 14.738 ( 9.856 4.905 -0.842) 11.041 15.136 ( -0.065 -2.700 6.219) 6.780 15.252 ( 1.162 -2.416 -4.770) 5.471 15.669 ( 3.952 1.063 3.023) 5.088 16.098 ( -13.127 -6.215 8.935) 17.052 16.599 ( 11.565 6.739 -3.172) 13.756 17.082 ( 1.438 1.935 1.215) 2.700 17.401 ( 0.093 -4.066 4.280) 5.904 17.583 ( -4.472 -0.974 -4.693) 6.556 18.739 ( 1.590 -3.530 2.528) 4.624 18.865 ( -4.162 1.249 -0.996) 4.458 19.005 ( -0.879 -8.103 -0.093) 8.151 19.210 ( 1.840 8.806 2.829) 9.430 19.368 ( -1.433 0.497 -1.518) 2.146 19.721 ( 4.266 4.096 -5.688) 8.206 19.881 ( -0.030 -2.371 -2.560) 3.490 20.163 ( -0.436 -3.489 1.462) 3.808 20.429 ( 0.435 -5.243 -4.468) 6.902 20.530 ( 2.608 2.033 -1.865) 3.796 20.644 ( -2.507 -4.357 0.369) 5.040 21.185 ( 4.384 5.484 -4.811) 8.511 21.430 ( -3.971 1.021 1.870) 4.506 21.630 ( 5.819 1.738 3.821) 7.175 21.845 ( -8.849 -5.644 4.041) 11.246 22.206 ( 3.296 -1.635 -2.620) 4.516 22.311 ( -2.470 -0.488 2.205) 3.347 22.547 ( -0.080 5.494 0.424) 5.511 22.824 ( 3.273 -1.999 0.397) 3.856 23.024 ( 0.632 3.418 -6.883) 7.710 ======================= Grid point 59 (33/78) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.268 -2.181 -2.761) 3.529 1.154 ( 2.100 0.965 5.855) 6.295 1.257 ( -2.650 3.085 0.018) 4.067 1.437 ( 0.347 1.855 3.708) 4.161 1.566 ( -1.159 -6.619 -3.992) 7.816 1.714 ( -1.810 -0.283 3.091) 3.593 1.800 ( -0.278 7.198 6.005) 9.378 1.958 ( -1.623 -6.389 5.251) 8.428 2.054 ( 10.596 -1.245 3.440) 11.209 2.266 ( -2.621 2.844 -3.384) 5.139 2.419 ( -5.158 2.616 7.519) 9.486 2.480 ( -0.853 4.870 4.171) 6.468 2.766 ( -7.017 -6.819 16.833) 19.470 3.078 ( -6.194 -5.267 11.076) 13.740 3.289 ( 2.224 -12.837 8.757) 15.697 3.460 ( -8.143 5.469 -2.094) 10.030 3.579 ( -1.984 9.772 7.575) 12.523 3.668 ( 4.422 4.532 -1.070) 6.422 3.726 ( 1.860 -1.597 9.378) 9.693 4.040 ( -8.234 -2.145 0.824) 8.548 4.067 ( 2.341 2.483 1.754) 3.837 4.199 ( -1.925 -7.548 -3.921) 8.721 4.338 ( -5.320 2.011 7.083) 9.084 4.382 ( -1.911 -3.412 -7.675) 8.614 4.565 ( 0.791 0.215 -6.139) 6.193 4.610 ( -0.416 3.880 -1.375) 4.137 4.800 ( 5.762 6.713 2.087) 9.090 4.850 ( 0.906 -2.325 -7.407) 7.816 5.021 ( -0.282 2.114 -6.773) 7.101 5.215 ( 2.826 -1.798 -2.736) 4.324 5.595 ( -0.411 8.669 -4.304) 9.687 5.641 ( 4.356 1.831 -2.881) 5.534 5.684 ( -2.000 -6.707 -6.527) 9.571 5.883 ( -2.759 4.925 -5.331) 7.764 5.937 ( 6.787 6.429 2.691) 9.728 6.128 ( 3.058 -1.141 -3.302) 4.643 6.321 ( 3.737 -4.708 3.718) 7.068 6.418 ( 4.112 -1.967 -3.650) 5.839 6.525 ( -2.555 0.954 -5.235) 5.903 6.574 ( 0.537 -4.280 -9.320) 10.270 6.803 ( -2.953 -5.963 4.512) 8.040 6.832 ( 1.994 -7.662 2.911) 8.435 6.933 ( 7.491 3.907 0.098) 8.450 7.063 ( -2.867 0.158 1.926) 3.457 7.334 ( 5.842 -1.621 2.748) 6.656 7.387 ( -1.505 3.802 -1.782) 4.460 7.667 ( 1.616 4.095 -2.090) 4.873 7.914 ( -5.036 7.968 -0.383) 9.434 7.977 ( 0.981 7.278 6.818) 10.021 8.280 ( -0.323 1.460 -0.245) 1.516 8.540 ( -6.482 -2.092 8.049) 10.544 8.663 ( 2.849 -10.969 -0.775) 11.359 8.721 ( -5.733 -4.227 -5.538) 9.022 9.015 ( 6.247 4.621 -4.891) 9.182 9.239 ( 2.625 -4.979 -4.858) 7.435 9.438 ( -1.779 -2.358 5.692) 6.413 9.793 ( -1.583 4.663 7.017) 8.572 10.102 ( 2.352 5.462 -5.020) 7.782 10.239 ( 1.649 -3.582 -5.112) 6.457 11.049 ( 1.816 0.218 -6.459) 6.713 11.125 ( 5.634 1.618 -15.785) 16.838 11.238 ( 1.320 -0.373 -1.975) 2.405 12.398 ( 4.059 0.374 -14.307) 14.877 12.667 ( -0.812 4.777 -3.188) 5.800 12.759 ( 3.412 -5.471 -0.839) 6.502 13.076 ( -2.045 5.591 3.987) 7.165 13.102 ( -3.512 -5.567 10.260) 12.190 13.351 ( -2.074 0.737 5.638) 6.052 13.508 ( -0.074 2.968 -2.713) 4.022 13.918 ( -3.272 -0.310 3.574) 4.856 13.983 ( 15.621 1.285 -3.763) 16.119 14.317 ( -8.270 -5.978 3.239) 10.706 14.419 ( -8.138 3.537 4.760) 10.070 14.668 ( 1.014 9.626 -5.340) 11.054 15.209 ( -0.860 -2.813 7.036) 7.626 15.302 ( 3.283 -0.740 -1.813) 3.822 15.696 ( 2.083 2.093 1.566) 3.342 16.013 ( -19.292 -4.384 10.428) 22.364 16.627 ( 11.247 5.539 -5.762) 13.797 17.092 ( 0.457 -1.012 -0.047) 1.112 17.391 ( -3.923 1.217 0.761) 4.177 17.709 ( 1.426 -13.456 2.456) 13.752 18.722 ( -2.821 3.611 -0.581) 4.619 18.885 ( 2.647 -2.611 4.328) 5.705 19.059 ( 0.386 5.563 5.934) 8.144 19.191 ( -2.854 -9.329 -3.564) 10.386 19.360 ( 0.861 -2.231 -3.988) 4.650 19.696 ( 4.116 2.664 -3.904) 6.267 19.906 ( 0.112 -1.417 -2.309) 2.712 20.192 ( -0.402 0.578 2.005) 2.125 20.472 ( 2.021 0.941 -4.341) 4.880 20.527 ( 2.844 0.994 -2.602) 3.980 20.703 ( -0.488 -3.001 -1.772) 3.519 21.005 ( -7.634 4.802 -7.407) 11.671 21.460 ( 3.478 0.306 2.395) 4.234 21.663 ( -0.136 1.255 2.919) 3.180 21.838 ( -2.836 -1.421 5.925) 6.721 22.227 ( -1.911 0.111 -1.744) 2.590 22.318 ( -0.364 -1.322 2.467) 2.823 22.468 ( 2.540 4.648 0.646) 5.336 22.877 ( -1.261 -0.705 -1.167) 1.857 22.968 ( 3.990 0.900 -5.079) 6.521 ======================= Grid point 62 (34/78) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -12.141 -0.000 -4.560) 12.969 1.125 ( -2.002 -0.000 -1.387) 2.436 1.263 ( 0.440 0.000 0.363) 0.570 1.317 ( 0.453 0.000 8.139) 8.152 1.446 ( -4.857 -0.000 -4.283) 6.475 1.635 ( 3.293 0.000 1.506) 3.621 1.693 ( 4.559 0.000 -0.717) 4.615 2.045 ( -8.008 -0.000 14.684) 16.726 2.075 ( 4.323 0.000 -6.266) 7.613 2.264 ( 1.908 0.000 6.062) 6.355 2.376 ( 4.041 0.000 5.372) 6.723 2.538 ( -6.085 -0.000 9.666) 11.422 2.750 ( -6.082 -0.000 2.312) 6.506 2.957 ( -16.245 -0.000 4.687) 16.908 3.185 ( 5.771 0.000 -1.935) 6.087 3.258 ( -3.358 -0.000 3.224) 4.655 3.478 ( -11.650 -0.000 12.285) 16.931 3.519 ( 1.904 0.000 5.769) 6.076 3.851 ( 1.449 0.000 3.799) 4.066 3.994 ( 0.962 0.000 -1.505) 1.786 4.001 ( 2.511 0.000 6.371) 6.848 4.057 ( -7.881 -0.000 10.607) 13.214 4.065 ( 2.378 0.000 5.611) 6.094 4.431 ( -3.820 -0.000 -14.149) 14.656 4.637 ( 12.290 0.000 4.057) 12.942 4.827 ( 17.477 0.000 -0.581) 17.487 5.012 ( 2.665 0.000 -7.846) 8.286 5.035 ( 0.464 0.000 -0.332) 0.570 5.239 ( 1.198 0.000 -5.439) 5.569 5.412 ( 3.037 0.000 -10.611) 11.037 5.459 ( 6.269 0.000 -3.140) 7.012 5.587 ( 3.126 0.000 -3.961) 5.046 5.704 ( 3.903 0.000 2.004) 4.387 5.936 ( -5.319 -0.000 -4.009) 6.660 6.150 ( -0.544 -0.000 -5.878) 5.904 6.284 ( -5.282 -0.000 9.886) 11.209 6.353 ( -5.070 -0.000 0.906) 5.150 6.416 ( -1.935 -0.000 -1.494) 2.445 6.448 ( -0.877 -0.000 2.877) 3.008 6.574 ( -6.126 -0.000 -11.254) 12.813 6.715 ( -7.637 -0.000 -0.648) 7.664 6.813 ( 7.370 0.000 -5.135) 8.983 6.830 ( -1.446 -0.000 0.815) 1.660 7.139 ( 0.627 0.000 5.122) 5.160 7.300 ( 1.101 0.000 8.999) 9.066 7.455 ( -0.167 -0.000 -4.080) 4.084 7.518 ( 15.500 0.000 -4.504) 16.141 7.771 ( -11.662 -0.000 6.973) 13.588 8.201 ( -0.413 -0.000 4.164) 4.184 8.436 ( 6.105 0.000 -8.984) 10.861 8.519 ( 7.496 0.000 -4.318) 8.651 8.704 ( -1.612 -0.000 -6.853) 7.040 8.794 ( 1.634 0.000 -7.471) 7.648 8.858 ( -11.317 -0.000 -2.730) 11.641 9.168 ( 7.019 0.000 -7.062) 9.956 9.594 ( -3.121 -0.000 7.802) 8.403 9.862 ( -4.359 -0.000 9.377) 10.341 10.017 ( 2.363 0.000 -4.248) 4.862 10.288 ( -1.103 -0.000 -3.058) 3.251 11.016 ( 2.438 0.000 -5.096) 5.649 11.153 ( 8.141 0.000 -20.147) 21.729 11.336 ( -1.209 -0.000 -0.304) 1.247 12.105 ( 3.257 0.000 -6.901) 7.631 12.564 ( 0.024 0.000 -0.918) 0.918 12.960 ( -2.403 -0.000 11.186) 11.441 13.010 ( -3.727 -0.000 -9.805) 10.489 13.333 ( 3.690 0.000 2.921) 4.706 13.499 ( 4.004 0.000 5.028) 6.427 13.565 ( -10.437 -0.000 8.227) 13.289 13.787 ( 8.603 0.000 -4.659) 9.783 13.806 ( -2.548 -0.000 -4.682) 5.330 14.178 ( -9.217 -0.000 10.103) 13.676 14.686 ( -6.683 -0.000 3.780) 7.678 14.790 ( 6.395 0.000 13.954) 15.349 15.100 ( 8.160 0.000 -3.102) 8.729 15.180 ( -4.096 -0.000 -6.015) 7.277 15.688 ( 4.160 0.000 3.757) 5.605 16.025 ( -8.390 -0.000 9.265) 12.499 16.717 ( 13.889 0.000 -4.225) 14.517 17.206 ( 2.723 0.000 1.854) 3.294 17.260 ( 1.862 0.000 7.899) 8.116 17.618 ( -7.157 -0.000 -15.348) 16.935 18.615 ( 0.881 0.000 -1.760) 1.968 18.782 ( -2.408 -0.000 2.990) 3.839 18.972 ( -5.458 -0.000 1.430) 5.642 19.271 ( -2.263 -0.000 -5.576) 6.018 19.623 ( 2.543 0.000 10.804) 11.099 19.783 ( 1.329 0.000 -1.885) 2.307 19.816 ( 2.612 0.000 -8.367) 8.765 19.990 ( 0.626 0.000 -2.994) 3.059 20.300 ( -0.380 -0.000 0.147) 0.408 20.578 ( 2.992 0.000 -0.918) 3.130 20.581 ( -1.396 -0.000 -0.675) 1.551 21.261 ( 5.140 0.000 1.185) 5.275 21.459 ( -11.774 -0.000 -3.836) 12.383 21.672 ( -4.780 -0.000 5.994) 7.667 21.723 ( 7.284 0.000 5.176) 8.936 22.177 ( 3.819 0.000 -3.873) 5.439 22.301 ( -2.536 -0.000 2.545) 3.592 22.698 ( 1.901 0.000 2.567) 3.194 22.741 ( 1.824 0.000 -1.650) 2.460 23.094 ( 1.041 0.000 -7.966) 8.034 ======================= Grid point 63 (35/78) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 1.918 -14.642 0.180) 14.768 1.112 ( 4.633 2.310 0.549) 5.206 1.258 ( -2.065 -2.099 -0.772) 3.044 1.383 ( -4.593 -2.643 -1.412) 5.485 1.576 ( 7.252 -11.683 7.628) 15.725 1.629 ( -0.834 3.988 2.769) 4.926 1.720 ( 0.262 -0.463 -0.075) 0.537 2.029 ( 0.329 3.488 -2.973) 4.595 2.054 ( 0.645 0.580 10.168) 10.205 2.329 ( -1.858 -4.249 7.701) 8.990 2.459 ( -5.284 3.217 -1.077) 6.279 2.499 ( -2.784 -1.794 1.199) 3.522 2.656 ( 3.032 0.597 5.793) 6.565 2.926 ( -8.176 -8.316 9.125) 14.808 3.144 ( -6.419 5.387 9.818) 12.908 3.261 ( 2.020 -4.625 2.027) 5.439 3.492 ( -3.515 -6.630 11.704) 13.903 3.644 ( 2.443 -6.358 6.322) 9.293 3.804 ( -4.313 1.934 -3.138) 5.674 3.923 ( -2.502 4.349 4.244) 6.571 3.993 ( -4.580 -2.398 3.469) 6.226 4.186 ( 0.053 -8.270 3.197) 8.866 4.252 ( 8.857 -3.653 5.009) 10.811 4.348 ( 0.379 -1.555 -7.588) 7.755 4.746 ( 2.015 4.673 -1.040) 5.194 4.813 ( 1.347 15.586 3.551) 16.042 4.986 ( 4.752 5.207 -1.250) 7.159 5.038 ( 4.180 -0.324 -6.383) 7.637 5.197 ( 1.124 3.756 -5.364) 6.644 5.345 ( 5.576 7.231 -6.010) 10.932 5.522 ( 7.571 2.364 -0.328) 7.939 5.591 ( 3.817 0.867 -3.629) 5.338 5.810 ( -0.180 -1.874 -1.293) 2.284 5.911 ( -3.882 -7.730 -5.973) 10.512 6.075 ( -2.392 2.626 -8.161) 8.901 6.192 ( -5.336 -0.146 -1.530) 5.553 6.249 ( -2.750 2.519 -7.960) 8.790 6.342 ( -7.862 3.469 -5.307) 10.100 6.434 ( -3.036 -3.122 4.657) 6.376 6.535 ( 5.008 0.957 7.549) 9.109 6.668 ( -5.543 -3.117 1.525) 6.539 6.730 ( -0.483 4.107 -4.281) 5.952 6.959 ( 3.119 -3.531 2.485) 5.327 7.170 ( 4.519 0.245 0.931) 4.620 7.338 ( 1.683 5.049 -1.711) 5.591 7.425 ( 4.570 -0.595 4.575) 6.494 7.678 ( -1.253 -3.451 -0.810) 3.760 7.852 ( 4.131 -11.661 4.906) 13.309 8.146 ( -6.377 2.536 -1.328) 6.990 8.385 ( 4.035 7.783 -4.391) 9.804 8.577 ( -4.984 7.790 -3.083) 9.748 8.596 ( -2.948 -2.145 -2.913) 4.667 8.656 ( 1.424 2.724 -6.132) 6.859 8.930 ( 3.861 -10.805 -6.213) 13.048 9.196 ( 7.596 4.346 -6.724) 11.037 9.530 ( -3.912 5.506 8.882) 11.159 9.842 ( -6.630 -1.071 9.123) 11.329 10.083 ( 1.467 -6.142 -6.347) 8.953 10.238 ( -0.259 2.691 -2.459) 3.655 11.035 ( 2.742 -0.763 -5.367) 6.076 11.161 ( 7.427 0.328 -20.293) 21.612 11.287 ( -2.469 2.278 0.699) 3.431 12.201 ( 5.205 -7.516 -8.635) 12.575 12.581 ( 0.565 -2.401 -1.065) 2.686 12.883 ( -3.745 4.140 -6.722) 8.738 12.987 ( -1.742 -0.609 10.454) 10.616 13.324 ( 1.850 6.285 3.957) 7.654 13.427 ( -4.760 2.798 5.653) 7.902 13.640 ( 0.851 0.076 4.610) 4.688 13.727 ( -6.811 -3.361 -1.057) 7.668 13.907 ( 8.544 -3.387 -5.253) 10.586 14.104 ( -12.980 -5.273 5.248) 14.960 14.615 ( 0.474 5.323 5.765) 7.861 14.898 ( 2.950 1.956 3.518) 4.990 15.108 ( -3.250 -1.813 1.163) 3.899 15.235 ( 8.494 -1.989 -2.489) 9.072 15.757 ( 3.694 0.990 2.417) 4.524 15.912 ( -13.217 -0.689 8.506) 15.733 16.858 ( 12.538 3.956 -0.505) 13.156 17.181 ( 3.673 6.840 -2.745) 8.235 17.380 ( 2.573 -2.949 6.485) 7.575 17.468 ( -5.938 -1.182 -5.301) 8.048 18.689 ( 2.100 -6.384 -0.375) 6.731 18.792 ( -2.074 -2.768 1.116) 3.635 18.914 ( -3.299 -0.230 1.675) 3.707 19.242 ( -0.336 -1.567 -5.408) 5.640 19.522 ( -0.040 12.790 4.940) 13.711 19.788 ( 2.003 1.788 -5.110) 5.772 19.850 ( 2.874 -1.227 -3.692) 4.837 20.100 ( 3.469 -8.034 2.127) 9.006 20.332 ( 0.509 -4.325 -1.357) 4.561 20.551 ( -2.797 -0.440 -1.729) 3.318 20.599 ( 1.921 0.942 -1.151) 2.429 21.220 ( -7.992 4.991 -4.676) 10.519 21.373 ( -0.575 -3.754 1.499) 4.082 21.648 ( -5.428 -1.365 5.353) 7.745 21.846 ( 8.912 0.807 4.692) 10.104 22.213 ( 2.859 -0.488 -2.973) 4.154 22.283 ( -1.954 -0.507 1.981) 2.829 22.656 ( 0.990 5.312 1.362) 5.573 22.816 ( 2.262 -2.836 0.051) 3.628 23.038 ( -0.911 1.979 -9.016) 9.275 ======================= Grid point 64 (36/78) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -1.695 -7.111 -2.404) 7.695 1.221 ( 9.432 -3.198 1.980) 10.155 1.266 ( -1.442 -2.111 -0.366) 2.582 1.395 ( -4.807 -6.199 -0.678) 7.874 1.549 ( 2.482 6.040 3.571) 7.442 1.660 ( -5.074 -2.054 1.713) 5.736 1.833 ( -3.559 -2.799 3.245) 5.571 1.903 ( -6.225 5.083 0.295) 8.042 2.179 ( 1.514 2.081 4.945) 5.575 2.259 ( 2.699 -1.885 -0.403) 3.316 2.430 ( -1.910 -1.256 5.689) 6.131 2.520 ( 1.564 -0.939 0.858) 2.016 2.683 ( -5.870 1.316 14.463) 15.665 2.991 ( -5.091 -2.286 12.771) 13.937 3.181 ( 2.628 -8.657 7.711) 11.887 3.466 ( -3.847 3.994 -3.570) 6.595 3.536 ( 2.453 -12.891 7.487) 15.108 3.726 ( 0.496 1.438 0.370) 1.566 3.796 ( -8.731 -9.064 11.587) 17.106 3.943 ( 3.423 -3.514 2.902) 5.700 3.969 ( -3.968 1.237 2.209) 4.707 4.233 ( 1.121 6.964 2.988) 7.661 4.348 ( -0.324 -1.415 3.007) 3.339 4.391 ( 8.112 5.829 0.899) 10.029 4.549 ( 3.108 3.643 -4.584) 6.629 4.759 ( 3.019 2.869 -3.037) 5.154 4.800 ( -6.188 6.133 -1.148) 8.787 5.048 ( -2.181 9.252 -3.707) 10.203 5.118 ( 2.236 12.323 -2.553) 12.782 5.188 ( 1.389 -1.269 -8.846) 9.044 5.534 ( -1.780 -0.270 -12.891) 13.016 5.670 ( 10.507 -1.768 6.095) 12.275 5.722 ( -7.003 6.407 -9.482) 13.416 5.916 ( -0.822 1.825 -3.472) 4.008 6.022 ( 1.159 -7.394 -6.088) 9.647 6.131 ( 5.379 3.383 0.772) 6.401 6.253 ( -3.704 -5.769 -4.378) 8.134 6.348 ( -0.832 -7.767 -3.491) 8.556 6.444 ( -1.862 -1.080 2.826) 3.552 6.541 ( 1.517 2.531 -1.341) 3.242 6.671 ( -2.117 -2.152 0.050) 3.019 6.725 ( -1.331 -5.705 1.076) 5.956 7.034 ( 1.643 0.585 6.241) 6.480 7.179 ( 4.028 8.127 -4.616) 10.178 7.369 ( 6.683 -6.286 -1.652) 9.323 7.497 ( 5.083 1.488 2.385) 5.809 7.716 ( 2.897 0.150 -2.689) 3.956 7.923 ( -9.959 5.521 0.420) 11.394 8.064 ( -0.358 -1.409 0.360) 1.498 8.301 ( -7.265 -0.495 1.632) 7.462 8.352 ( -6.418 1.568 3.646) 7.547 8.620 ( 4.356 0.851 -1.909) 4.832 8.668 ( 4.156 -1.470 -3.409) 5.573 9.141 ( 4.042 -7.414 -5.526) 10.092 9.161 ( 4.723 5.247 -5.282) 8.817 9.440 ( -2.589 2.432 7.389) 8.199 9.812 ( -5.770 -0.715 8.090) 9.963 10.161 ( 0.399 -4.234 -5.941) 7.306 10.187 ( 2.387 2.801 -4.450) 5.775 11.050 ( 2.447 0.090 -6.665) 7.101 11.153 ( 6.133 0.999 -17.836) 18.888 11.236 ( -0.915 0.350 0.079) 0.983 12.353 ( 5.667 -5.125 -12.166) 14.367 12.660 ( 2.357 -4.522 -2.019) 5.485 12.734 ( -2.896 3.518 -4.611) 6.483 13.045 ( -1.034 -3.028 12.056) 12.474 13.211 ( -1.268 8.749 1.943) 9.051 13.380 ( -0.548 1.653 7.473) 7.673 13.570 ( 0.519 4.405 -2.373) 5.031 13.731 ( -13.443 -7.357 5.313) 16.220 14.076 ( 4.673 -8.138 -2.240) 9.648 14.127 ( 0.020 -4.999 0.209) 5.003 14.560 ( 6.047 8.496 3.350) 10.953 14.782 ( -5.222 7.412 -3.414) 9.688 15.171 ( 0.233 -3.269 6.131) 6.951 15.338 ( 3.885 0.046 0.002) 3.885 15.669 ( -13.348 -0.005 5.881) 14.587 15.925 ( 4.302 -0.112 9.504) 10.432 16.834 ( 4.222 10.317 -8.708) 14.145 17.069 ( -2.811 0.825 -3.909) 4.885 17.407 ( 0.653 2.854 4.965) 5.764 17.557 ( 1.814 -8.035 3.818) 9.079 18.746 ( -1.445 2.088 1.747) 3.082 18.863 ( 1.760 -5.644 4.038) 7.159 18.964 ( -1.855 -7.602 -1.084) 7.900 19.249 ( 1.756 5.192 -3.955) 6.759 19.329 ( -0.475 3.781 0.517) 3.845 19.743 ( 0.221 2.298 -5.104) 5.602 19.888 ( 2.516 -1.143 -3.623) 4.557 20.228 ( 1.980 0.446 3.943) 4.434 20.469 ( 2.750 -2.863 -2.437) 4.658 20.550 ( 1.953 -4.665 -4.719) 6.917 20.605 ( 2.193 -3.879 0.624) 4.499 20.971 ( -9.696 7.621 -4.983) 13.301 21.450 ( -0.330 -3.753 2.359) 4.445 21.615 ( -5.785 -0.610 5.429) 7.956 21.959 ( 9.445 2.398 2.326) 10.019 22.208 ( -1.472 1.206 -1.448) 2.391 22.308 ( 1.039 -1.630 1.955) 2.749 22.580 ( 0.844 4.988 0.973) 5.152 22.837 ( -2.588 0.514 -2.850) 3.884 22.982 ( 1.792 -0.981 -5.887) 6.232 ======================= Grid point 68 (37/78) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 13.035 0.000 3.153) 13.411 1.198 ( 4.284 0.000 -3.078) 5.275 1.202 ( -3.154 -0.000 1.374) 3.440 1.300 ( -1.989 -0.000 3.291) 3.845 1.578 ( -3.300 -0.000 3.148) 4.561 1.687 ( 6.718 0.000 12.623) 14.299 1.741 ( 2.649 0.000 -4.210) 4.974 1.956 ( -11.764 -0.000 -1.560) 11.867 2.099 ( 3.289 0.000 8.317) 8.944 2.318 ( -1.226 -0.000 7.421) 7.521 2.354 ( -11.381 -0.000 -1.470) 11.476 2.482 ( -0.519 -0.000 -5.453) 5.477 2.774 ( 8.290 0.000 6.889) 10.779 2.822 ( 2.416 0.000 7.394) 7.778 3.192 ( -9.600 -0.000 22.268) 24.249 3.238 ( 0.075 0.000 2.446) 2.447 3.432 ( 0.939 0.000 7.715) 7.772 3.634 ( 1.608 0.000 6.150) 6.357 3.762 ( -4.031 -0.000 -6.268) 7.453 3.938 ( -4.122 -0.000 9.592) 10.440 3.998 ( -1.036 -0.000 -3.091) 3.260 4.056 ( -0.869 -0.000 6.932) 6.986 4.281 ( 3.622 0.000 -12.349) 12.869 4.471 ( 14.681 0.000 16.312) 21.945 4.806 ( -1.581 -0.000 -5.386) 5.613 4.940 ( 0.688 0.000 -10.232) 10.255 4.984 ( -0.390 -0.000 -1.261) 1.320 5.165 ( -3.387 -0.000 -5.009) 6.047 5.227 ( 11.251 0.000 -6.098) 12.797 5.432 ( 1.340 0.000 -7.286) 7.409 5.609 ( -2.082 -0.000 -5.572) 5.948 5.713 ( -3.290 -0.000 -2.978) 4.437 5.741 ( 12.376 0.000 4.112) 13.041 5.767 ( -2.045 -0.000 -4.118) 4.598 5.960 ( -11.369 -0.000 -3.409) 11.869 6.085 ( -5.544 -0.000 -10.699) 12.050 6.176 ( 3.836 0.000 5.532) 6.732 6.353 ( -3.708 -0.000 -6.484) 7.469 6.354 ( -6.665 -0.000 1.845) 6.915 6.420 ( -13.383 -0.000 5.394) 14.429 6.775 ( 12.203 0.000 10.551) 16.132 6.867 ( 5.359 0.000 -4.434) 6.955 6.911 ( 2.611 0.000 -4.855) 5.513 7.209 ( 1.387 0.000 -2.059) 2.483 7.412 ( 0.597 0.000 -4.683) 4.721 7.446 ( 0.064 0.000 5.506) 5.506 7.600 ( -2.546 -0.000 6.098) 6.608 7.887 ( 11.529 0.000 2.340) 11.764 8.034 ( -11.541 -0.000 -5.929) 12.975 8.437 ( -17.512 -0.000 -0.191) 17.514 8.555 ( 0.406 0.000 -3.558) 3.581 8.557 ( 7.231 0.000 -5.384) 9.016 8.758 ( 7.959 0.000 -3.531) 8.707 8.843 ( 7.936 0.000 -8.623) 11.719 9.300 ( 6.903 0.000 -8.955) 11.307 9.591 ( -2.915 -0.000 8.579) 9.061 9.750 ( -10.796 -0.000 10.316) 14.932 9.994 ( -0.502 -0.000 -5.199) 5.223 10.252 ( 0.348 0.000 -1.024) 1.081 11.041 ( 2.761 0.000 -5.128) 5.824 11.164 ( 6.609 0.000 -20.418) 21.461 11.268 ( -3.572 -0.000 0.498) 3.606 12.170 ( 6.157 0.000 -6.938) 9.276 12.558 ( 0.129 0.000 -0.873) 0.882 12.846 ( -2.712 -0.000 -7.038) 7.542 13.015 ( -2.459 -0.000 14.483) 14.690 13.382 ( -1.085 -0.000 -0.391) 1.154 13.436 ( -8.255 -0.000 10.728) 13.536 13.579 ( -0.354 -0.000 1.525) 1.566 13.724 ( -0.737 -0.000 -2.126) 2.250 13.855 ( -13.946 -0.000 4.351) 14.609 13.970 ( 8.987 0.000 -3.729) 9.730 14.757 ( 8.259 0.000 2.214) 8.551 14.891 ( -6.432 -0.000 -3.880) 7.511 15.083 ( 0.210 0.000 10.718) 10.720 15.332 ( 8.211 0.000 -1.778) 8.401 15.675 ( -16.918 -0.000 4.223) 17.437 15.917 ( 6.971 0.000 6.276) 9.380 16.997 ( 4.518 0.000 1.889) 4.897 17.224 ( -6.134 -0.000 -21.278) 22.144 17.406 ( 2.751 0.000 6.582) 7.133 17.512 ( 12.339 0.000 12.427) 17.513 18.623 ( 1.022 0.000 -2.276) 2.495 18.766 ( -0.967 -0.000 3.520) 3.650 18.886 ( -2.650 -0.000 2.679) 3.768 19.208 ( 1.966 0.000 -5.910) 6.229 19.639 ( -3.247 -0.000 -2.462) 4.075 19.843 ( 4.688 0.000 -2.559) 5.341 19.928 ( 6.540 0.000 3.129) 7.250 19.991 ( 0.981 0.000 -1.572) 1.853 20.298 ( -0.483 -0.000 0.446) 0.657 20.495 ( -3.646 -0.000 -1.790) 4.062 20.628 ( 1.770 0.000 -2.428) 3.005 21.128 ( -9.383 -0.000 -2.222) 9.642 21.341 ( -0.102 -0.000 0.617) 0.625 21.604 ( -4.049 -0.000 6.596) 7.740 21.992 ( 9.506 0.000 3.497) 10.129 22.239 ( 3.380 0.000 -3.249) 4.688 22.262 ( -1.584 -0.000 2.064) 2.602 22.715 ( -1.909 -0.000 1.248) 2.280 22.824 ( 4.345 0.000 -0.842) 4.426 22.980 ( -3.823 -0.000 -10.490) 11.165 ======================= Grid point 69 (38/78) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 3.604 -1.058 4.523) 5.879 1.169 ( -7.264 -1.731 5.155) 9.073 1.241 ( 2.783 -3.776 0.907) 4.777 1.343 ( 4.333 -0.124 5.070) 6.670 1.535 ( -6.143 -2.626 2.983) 7.316 1.683 ( -4.789 2.751 -0.858) 5.589 1.801 ( 0.952 2.620 1.511) 3.170 1.862 ( -1.723 -0.751 0.980) 2.120 2.163 ( -10.555 1.816 -1.080) 10.764 2.248 ( 3.763 -7.068 4.006) 8.953 2.394 ( 0.971 -2.958 7.023) 7.682 2.465 ( -1.674 -4.046 -1.910) 4.777 2.820 ( 1.295 9.452 11.100) 14.637 2.991 ( 7.820 -4.823 8.569) 12.564 3.172 ( -2.646 -0.051 17.162) 17.365 3.365 ( -0.994 -10.322 10.742) 14.931 3.467 ( 0.177 0.600 0.955) 1.141 3.647 ( -3.542 1.764 2.586) 4.727 3.706 ( -1.883 -1.380 -0.210) 2.344 3.928 ( 0.888 -2.099 8.452) 8.754 4.009 ( 2.397 -2.024 -0.813) 3.241 4.207 ( -0.401 -11.256 3.345) 11.749 4.329 ( 6.104 -1.472 -8.131) 10.273 4.663 ( 6.918 6.130 2.706) 9.631 4.689 ( -0.289 5.298 -1.575) 5.535 4.822 ( -2.893 7.518 -4.392) 9.175 4.872 ( -2.940 11.176 -2.316) 11.786 5.074 ( -0.917 2.262 -1.517) 2.874 5.187 ( 1.702 5.657 -8.203) 10.108 5.365 ( -0.142 10.437 -5.961) 12.020 5.474 ( -5.457 5.285 -11.487) 13.771 5.583 ( -8.078 -3.318 -8.293) 12.043 5.731 ( -3.487 -7.463 -4.788) 9.527 5.881 ( 0.851 -1.416 2.865) 3.307 5.947 ( 2.116 -4.579 -3.021) 5.880 6.112 ( 5.019 1.227 2.338) 5.671 6.204 ( -1.257 1.221 -2.638) 3.167 6.305 ( 2.058 -4.374 1.810) 5.162 6.323 ( 1.984 -2.696 0.443) 3.376 6.467 ( -4.473 -12.447 4.193) 13.875 6.710 ( -0.227 10.153 -6.085) 11.839 6.838 ( 6.905 8.105 -0.655) 10.668 7.039 ( -1.710 -1.104 0.628) 2.131 7.272 ( 0.802 -6.435 -4.869) 8.109 7.318 ( 3.875 3.007 -1.945) 5.276 7.526 ( -1.209 -2.635 -2.705) 3.965 7.653 ( -1.718 -5.275 5.516) 7.824 7.863 ( -7.854 0.438 0.214) 7.869 8.032 ( -2.290 0.125 1.749) 2.884 8.174 ( -8.419 0.661 1.705) 8.615 8.470 ( 3.009 6.768 0.939) 7.466 8.675 ( 3.820 -1.860 -3.330) 5.398 8.754 ( 8.125 5.558 -3.945) 10.605 9.036 ( 5.191 -8.088 -4.372) 10.558 9.282 ( 3.886 5.319 -8.914) 11.084 9.515 ( -2.878 5.844 8.332) 10.577 9.704 ( -9.043 -4.641 8.923) 13.526 10.035 ( -0.104 -6.502 -6.753) 9.375 10.245 ( 2.096 2.166 -1.110) 3.212 11.054 ( 2.429 -0.123 -6.017) 6.490 11.153 ( 5.087 -0.004 -18.721) 19.400 11.226 ( -1.498 0.324 0.141) 1.540 12.287 ( 7.288 -6.224 -10.165) 13.971 12.593 ( 1.100 -4.395 -2.243) 5.056 12.755 ( -1.372 4.192 -3.231) 5.467 13.049 ( -3.517 -0.998 15.419) 15.846 13.317 ( -2.197 5.511 -0.720) 5.977 13.425 ( -3.323 -4.251 9.074) 10.557 13.517 ( -6.111 2.633 3.489) 7.513 13.619 ( -3.235 3.470 -1.546) 4.990 13.871 ( -4.971 -9.798 3.219) 11.449 14.154 ( 14.180 -5.010 -6.232) 16.279 14.734 ( -7.316 4.555 -4.375) 9.665 14.808 ( 3.882 4.733 1.947) 6.424 15.169 ( 0.956 -2.273 9.264) 9.587 15.351 ( -7.386 1.031 0.048) 7.458 15.537 ( -3.887 -1.383 5.716) 7.050 16.061 ( 10.202 -0.644 6.463) 12.094 16.946 ( -10.699 8.996 -16.120) 21.336 17.032 ( 1.220 0.533 1.166) 1.770 17.472 ( -0.201 -1.763 3.710) 4.113 17.646 ( 11.391 9.049 10.099) 17.709 18.722 ( 0.120 -7.613 -0.239) 7.618 18.788 ( 0.834 -1.873 1.490) 2.535 18.883 ( -0.974 -1.518 4.355) 4.713 19.249 ( 5.321 -2.534 -6.579) 8.833 19.489 ( -2.587 10.491 -0.344) 10.811 19.778 ( -2.075 7.560 -2.769) 8.314 19.901 ( 4.159 -0.538 -3.028) 5.173 20.264 ( 1.315 -1.654 3.917) 4.451 20.351 ( 4.319 -16.528 -4.020) 17.550 20.454 ( -1.002 -0.547 -2.473) 2.724 20.629 ( 2.211 0.431 -1.788) 2.876 20.985 ( -4.047 5.745 0.402) 7.039 21.363 ( -2.833 -4.178 0.654) 5.090 21.587 ( -2.898 0.487 6.678) 7.296 22.112 ( 8.065 1.178 0.942) 8.205 22.222 ( -0.101 2.287 -1.075) 2.530 22.301 ( 1.657 -2.098 0.548) 2.729 22.632 ( -5.709 3.640 -2.654) 7.272 22.824 ( -0.970 2.600 -3.523) 4.485 22.931 ( 0.402 -3.248 -4.432) 5.510 ======================= Grid point 74 (39/78) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -1.142 -0.000 11.210) 11.268 1.099 ( -9.727 -0.000 11.357) 14.953 1.287 ( 6.443 0.000 11.163) 12.889 1.376 ( -4.624 -0.000 -2.456) 5.236 1.424 ( -5.024 -0.000 3.909) 6.366 1.584 ( -4.583 -0.000 4.214) 6.226 1.866 ( 0.621 0.000 1.090) 1.254 1.937 ( 7.759 0.000 2.806) 8.251 2.046 ( -6.377 -0.000 -1.482) 6.547 2.192 ( -1.198 -0.000 2.188) 2.494 2.368 ( -4.853 -0.000 -3.147) 5.784 2.435 ( 1.406 0.000 7.405) 7.537 3.039 ( 2.273 0.000 9.930) 10.187 3.101 ( 11.502 0.000 7.163) 13.551 3.161 ( -8.387 -0.000 25.843) 27.170 3.308 ( 2.538 0.000 5.570) 6.121 3.560 ( 4.711 0.000 -3.205) 5.698 3.664 ( 0.554 0.000 -0.753) 0.935 3.700 ( 0.551 0.000 3.692) 3.733 3.915 ( -1.982 -0.000 -2.381) 3.098 3.945 ( -4.548 -0.000 7.082) 8.417 4.121 ( 2.338 0.000 4.725) 5.272 4.354 ( 4.607 0.000 -6.656) 8.095 4.624 ( -2.727 -0.000 -11.944) 12.251 4.763 ( -5.506 -0.000 -6.770) 8.726 4.914 ( 2.845 0.000 -7.283) 7.819 4.914 ( -2.625 -0.000 -3.907) 4.707 5.127 ( 1.659 0.000 6.204) 6.422 5.209 ( -6.081 -0.000 -1.438) 6.248 5.298 ( -8.543 -0.000 -6.940) 11.006 5.443 ( -2.978 -0.000 -11.995) 12.359 5.502 ( -3.508 -0.000 -5.142) 6.225 5.605 ( 1.352 0.000 -4.705) 4.896 5.710 ( 1.330 0.000 -2.076) 2.466 6.053 ( 0.904 0.000 5.077) 5.157 6.116 ( -12.604 -0.000 7.190) 14.510 6.221 ( -1.113 -0.000 -4.373) 4.513 6.257 ( 6.523 0.000 -14.878) 16.245 6.358 ( 20.588 0.000 6.256) 21.517 6.497 ( 9.655 0.000 14.053) 17.050 6.688 ( -10.891 -0.000 -8.889) 14.058 6.969 ( 5.296 0.000 -6.505) 8.388 7.031 ( -4.525 -0.000 -3.337) 5.622 7.233 ( 6.007 0.000 0.753) 6.054 7.353 ( -5.236 -0.000 -2.349) 5.739 7.416 ( 4.146 0.000 -3.120) 5.189 7.686 ( 0.241 0.000 9.044) 9.047 7.728 ( -9.258 -0.000 -1.248) 9.342 7.929 ( -19.360 -0.000 4.498) 19.876 8.132 ( 4.239 0.000 4.001) 5.829 8.591 ( 1.534 0.000 2.040) 2.552 8.689 ( 6.959 0.000 -5.151) 8.658 8.943 ( 7.202 0.000 -2.545) 7.638 8.970 ( 3.259 0.000 -5.862) 6.707 9.356 ( 3.621 0.000 -8.052) 8.829 9.552 ( -8.730 -0.000 9.975) 13.255 9.589 ( -1.975 -0.000 5.760) 6.089 9.931 ( -0.327 -0.000 -4.973) 4.984 10.306 ( 4.167 0.000 -1.434) 4.406 11.055 ( 1.901 0.000 -5.708) 6.016 11.127 ( 3.674 0.000 -16.966) 17.359 11.221 ( 1.171 0.000 -1.823) 2.167 12.260 ( 4.864 0.000 -8.574) 9.858 12.544 ( -0.076 -0.000 -2.328) 2.329 12.798 ( 2.595 0.000 -0.052) 2.596 13.039 ( -6.791 -0.000 14.500) 16.012 13.312 ( -2.858 -0.000 2.044) 3.513 13.392 ( -0.780 -0.000 9.242) 9.275 13.531 ( -2.614 -0.000 -1.642) 3.087 13.604 ( -5.460 -0.000 2.040) 5.829 13.731 ( 1.577 0.000 0.623) 1.696 14.268 ( 13.905 0.000 -6.678) 15.425 14.633 ( -8.928 -0.000 -3.049) 9.434 14.860 ( -8.343 -0.000 0.794) 8.380 15.199 ( 0.033 0.000 10.906) 10.906 15.243 ( -5.316 -0.000 1.502) 5.524 15.568 ( 4.528 0.000 1.202) 4.685 16.213 ( 11.413 0.000 3.080) 11.821 16.764 ( -17.345 -0.000 -12.294) 21.260 17.080 ( 1.958 0.000 1.788) 2.652 17.457 ( -2.124 -0.000 2.293) 3.126 18.006 ( 15.051 0.000 3.880) 15.543 18.618 ( -0.057 -0.000 -1.401) 1.402 18.791 ( 0.510 0.000 2.992) 3.036 18.901 ( 1.684 0.000 6.429) 6.646 19.276 ( 6.711 0.000 -5.746) 8.834 19.538 ( -0.809 -0.000 -3.319) 3.416 19.935 ( 2.784 0.000 -2.861) 3.992 20.004 ( 0.942 0.000 -1.628) 1.881 20.019 ( -2.609 -0.000 -3.407) 4.291 20.256 ( -2.957 -0.000 3.173) 4.338 20.442 ( 1.545 0.000 -2.290) 2.762 20.646 ( 1.738 0.000 -2.210) 2.811 21.057 ( 4.420 0.000 4.938) 6.628 21.266 ( -5.006 -0.000 -0.974) 5.100 21.599 ( -1.159 -0.000 7.237) 7.329 22.196 ( 1.772 0.000 -2.551) 3.106 22.266 ( 0.240 0.000 2.437) 2.449 22.284 ( 3.050 0.000 -4.644) 5.556 22.503 ( -14.394 -0.000 -6.913) 15.968 22.843 ( 1.287 0.000 0.482) 1.375 22.900 ( 2.107 0.000 -2.286) 3.109 ======================= Grid point 75 (40/78) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -2.874 -0.000 -4.822) 5.613 1.243 ( -0.528 -0.000 4.374) 4.406 1.259 ( 5.707 0.000 -0.648) 5.744 1.510 ( -1.673 -0.000 6.138) 6.362 1.518 ( 0.687 0.000 -3.343) 3.413 1.733 ( -8.449 -0.000 2.941) 8.947 1.783 ( -6.668 -0.000 -1.913) 6.937 2.066 ( -1.791 -0.000 2.290) 2.908 2.180 ( -6.187 -0.000 5.560) 8.318 2.202 ( 7.861 0.000 -1.074) 7.934 2.464 ( 11.589 0.000 6.014) 13.056 2.683 ( -5.361 -0.000 16.114) 16.983 3.069 ( -10.549 -0.000 -9.065) 13.909 3.202 ( -1.024 -0.000 4.188) 4.311 3.386 ( 6.729 0.000 -3.708) 7.683 3.444 ( -2.588 -0.000 8.469) 8.856 3.760 ( 3.064 0.000 2.364) 3.870 3.814 ( 2.885 0.000 2.199) 3.627 3.931 ( -6.562 -0.000 23.571) 24.467 3.954 ( -7.300 -0.000 2.843) 7.834 3.997 ( -6.678 -0.000 -2.288) 7.059 4.141 ( 0.819 0.000 -4.675) 4.746 4.226 ( -2.597 -0.000 4.604) 5.286 4.401 ( -12.002 -0.000 -3.777) 12.582 4.431 ( 2.468 0.000 -0.694) 2.563 4.515 ( -7.234 -0.000 4.382) 8.457 4.685 ( -0.636 -0.000 -10.756) 10.775 4.841 ( 2.877 0.000 -3.440) 4.485 5.058 ( 2.755 0.000 -0.765) 2.859 5.221 ( 3.537 0.000 0.065) 3.537 5.333 ( 4.616 0.000 -2.703) 5.349 5.352 ( 1.160 0.000 -9.425) 9.496 5.615 ( -6.898 -0.000 -4.298) 8.128 5.898 ( 11.203 0.000 -1.951) 11.372 6.002 ( 16.680 0.000 -20.087) 26.110 6.087 ( -2.643 -0.000 2.478) 3.623 6.311 ( 8.874 0.000 7.100) 11.365 6.420 ( 3.070 0.000 14.875) 15.188 6.470 ( -1.762 -0.000 3.358) 3.793 6.572 ( 2.988 0.000 -13.332) 13.663 6.828 ( -5.079 -0.000 2.624) 5.717 6.861 ( 3.722 0.000 -3.429) 5.061 7.081 ( 2.915 0.000 -2.640) 3.933 7.169 ( -5.840 -0.000 -1.097) 5.942 7.170 ( -0.735 -0.000 -5.057) 5.111 7.489 ( -6.421 -0.000 9.801) 11.717 7.690 ( 10.220 0.000 5.945) 11.823 7.742 ( -9.633 -0.000 0.495) 9.646 8.042 ( 2.447 0.000 7.935) 8.304 8.158 ( -1.880 -0.000 -1.233) 2.249 8.623 ( 2.753 0.000 -7.180) 7.689 8.715 ( 3.132 0.000 -3.771) 4.902 8.801 ( -11.093 -0.000 2.408) 11.352 8.930 ( 1.310 0.000 -7.143) 7.262 9.272 ( 1.454 0.000 -0.270) 1.479 9.664 ( 6.197 0.000 -1.146) 6.302 9.717 ( -1.950 -0.000 7.237) 7.495 9.864 ( 2.320 0.000 -0.470) 2.367 10.256 ( 1.400 0.000 -6.219) 6.374 10.667 ( 6.740 0.000 -20.006) 21.110 10.912 ( 1.260 0.000 -6.042) 6.172 11.331 ( 0.708 0.000 4.417) 4.473 12.057 ( -0.083 -0.000 -7.014) 7.014 12.476 ( 1.899 0.000 -3.542) 4.019 13.021 ( 6.860 0.000 1.020) 6.936 13.081 ( -1.464 -0.000 1.877) 2.381 13.299 ( -7.334 -0.000 -0.415) 7.345 13.388 ( -4.205 -0.000 0.290) 4.215 13.478 ( 1.580 0.000 5.664) 5.880 13.833 ( 2.653 0.000 0.126) 2.656 13.876 ( 11.561 0.000 2.320) 11.792 14.328 ( -0.458 -0.000 -1.868) 1.924 14.516 ( -0.378 -0.000 4.565) 4.580 14.664 ( -13.844 -0.000 9.021) 16.524 15.311 ( 5.154 0.000 0.983) 5.247 15.351 ( -3.003 -0.000 2.104) 3.667 15.617 ( 5.938 0.000 -4.098) 7.215 16.222 ( -14.654 -0.000 8.062) 16.725 16.449 ( 2.774 0.000 -4.460) 5.253 17.135 ( 1.646 0.000 -1.805) 2.443 17.394 ( -4.889 -0.000 2.762) 5.615 17.888 ( -4.295 -0.000 -9.953) 10.840 18.579 ( 0.674 0.000 -2.049) 2.157 18.889 ( -0.532 -0.000 3.701) 3.739 19.151 ( 3.031 0.000 2.386) 3.858 19.276 ( 3.818 0.000 -5.114) 6.382 19.458 ( 0.366 0.000 -6.096) 6.107 19.813 ( -1.629 -0.000 -3.491) 3.852 19.826 ( -2.494 -0.000 2.622) 3.619 19.982 ( -0.153 -0.000 -1.173) 1.183 20.363 ( -0.800 -0.000 2.205) 2.345 20.478 ( 5.531 0.000 0.178) 5.534 20.522 ( -2.063 -0.000 -2.710) 3.406 21.093 ( -3.662 -0.000 -0.903) 3.772 21.389 ( 5.810 0.000 2.721) 6.416 21.785 ( 0.251 0.000 5.233) 5.239 21.952 ( -4.398 -0.000 2.872) 5.252 22.170 ( -4.181 -0.000 -3.590) 5.510 22.370 ( 0.553 0.000 3.451) 3.495 22.442 ( 4.063 0.000 1.970) 4.515 22.792 ( -1.810 -0.000 -4.397) 4.755 22.931 ( 3.890 0.000 -2.463) 4.604 ======================= Grid point 76 (41/78) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -2.986 -0.128 -1.543) 3.364 1.254 ( -1.076 -0.050 0.991) 1.464 1.328 ( 6.346 0.487 -5.916) 8.689 1.469 ( -1.557 4.712 -8.666) 9.987 1.534 ( 0.091 -1.699 6.098) 6.331 1.655 ( -7.981 -6.093 7.439) 12.496 1.749 ( -6.650 -5.779 -0.075) 8.810 1.980 ( -5.964 3.208 1.093) 6.859 2.135 ( -3.977 3.139 2.534) 5.665 2.333 ( 4.403 -5.357 0.072) 6.935 2.625 ( 4.956 2.228 11.793) 12.985 2.654 ( 1.386 1.486 8.469) 8.710 2.929 ( -12.529 -3.290 -1.558) 13.047 3.185 ( -2.767 -0.941 5.672) 6.380 3.407 ( -3.695 3.256 7.069) 8.615 3.516 ( 2.544 -3.185 6.566) 7.728 3.713 ( -8.049 2.107 -0.288) 8.325 3.828 ( 3.308 1.938 -2.601) 4.633 3.865 ( 0.555 1.699 5.047) 5.354 3.888 ( -2.348 1.421 3.270) 4.269 4.073 ( -3.983 -3.510 2.506) 5.871 4.151 ( 3.019 -2.686 -4.644) 6.156 4.215 ( -1.806 -10.825 14.460) 18.153 4.314 ( -7.925 -5.344 -3.887) 10.318 4.489 ( -4.570 -0.754 -2.115) 5.092 4.569 ( 0.527 -3.189 8.361) 8.964 4.705 ( 9.787 -3.260 -3.534) 10.904 4.867 ( 3.984 0.218 -6.157) 7.337 4.977 ( 4.582 11.043 1.703) 12.076 5.275 ( 1.480 3.918 -10.232) 11.056 5.289 ( 0.324 -3.544 0.412) 3.583 5.434 ( 2.073 -2.747 -4.355) 5.551 5.544 ( -1.143 -1.944 -4.562) 5.089 5.933 ( 2.418 7.971 -0.706) 8.360 6.049 ( 10.339 -0.858 -6.816) 12.413 6.208 ( 15.424 1.390 -10.295) 18.596 6.360 ( -0.147 3.614 -3.774) 5.228 6.430 ( -1.610 8.196 -5.562) 10.035 6.486 ( 0.045 -0.155 -0.234) 0.284 6.591 ( 5.023 -0.942 13.577) 14.507 6.665 ( -8.694 0.997 4.117) 9.671 6.890 ( -8.602 1.092 -4.338) 9.696 7.059 ( 0.715 1.361 2.219) 2.700 7.071 ( -4.655 -8.326 -0.097) 9.540 7.281 ( 5.803 3.151 0.157) 6.606 7.416 ( -4.198 -3.190 -0.159) 5.275 7.679 ( -5.688 -5.680 -1.432) 8.165 7.841 ( 13.262 5.409 5.780) 15.445 8.084 ( 2.776 1.606 2.747) 4.223 8.224 ( 1.364 -5.579 1.660) 5.978 8.547 ( -11.826 4.225 -3.636) 13.074 8.632 ( -1.660 -0.076 -1.027) 1.953 8.789 ( 1.662 -3.898 -5.512) 6.953 8.881 ( -1.060 3.490 -4.959) 6.156 9.222 ( -0.607 3.044 0.425) 3.132 9.678 ( -0.239 4.693 7.459) 8.816 9.815 ( 5.473 -5.071 -1.673) 7.647 9.936 ( 2.198 -3.456 -0.776) 4.169 10.211 ( 1.108 3.539 -5.447) 6.590 10.679 ( 7.409 -0.987 -19.730) 21.098 10.907 ( 1.586 -0.518 -5.923) 6.154 11.340 ( 0.047 1.660 3.785) 4.133 12.064 ( -0.005 -4.267 -7.892) 8.972 12.514 ( 1.915 -2.657 -3.515) 4.805 12.942 ( 1.683 11.330 -2.042) 11.635 13.060 ( -0.583 1.519 0.638) 1.748 13.311 ( -0.813 -5.743 0.538) 5.825 13.395 ( -0.198 -1.574 6.364) 6.559 13.508 ( 1.700 1.411 2.908) 3.652 13.898 ( -1.527 -4.475 0.406) 4.746 14.041 ( 5.354 -2.427 0.210) 5.882 14.276 ( -3.283 0.783 -1.963) 3.904 14.527 ( 3.137 3.375 5.436) 7.126 14.600 ( -2.956 -2.624 7.076) 8.105 15.308 ( -3.319 0.687 1.478) 3.697 15.355 ( 0.407 -0.059 1.462) 1.518 15.722 ( 8.681 -0.426 -0.650) 8.716 16.078 ( -12.222 -1.607 7.873) 14.627 16.476 ( 0.610 -2.476 -3.710) 4.502 17.117 ( 0.754 2.992 -1.904) 3.625 17.377 ( -2.689 -2.506 4.009) 5.439 17.750 ( -4.552 3.413 -6.646) 8.749 18.608 ( 0.560 -3.366 -2.026) 3.969 18.930 ( -0.992 -3.935 2.764) 4.910 19.141 ( -2.723 3.361 -0.409) 4.345 19.281 ( 3.483 1.166 -4.809) 6.051 19.378 ( 1.116 7.552 1.642) 7.809 19.665 ( 0.521 6.283 -1.922) 6.591 19.832 ( -0.841 -0.636 -3.556) 3.709 20.105 ( -1.138 -9.564 -0.236) 9.635 20.378 ( -1.109 -2.433 -1.107) 2.894 20.482 ( 0.320 1.050 -1.748) 2.064 20.595 ( 1.802 -5.943 1.116) 6.310 20.996 ( 2.456 8.365 -0.083) 8.719 21.505 ( 3.148 -3.725 1.946) 5.251 21.757 ( -2.824 4.266 2.934) 5.898 21.940 ( -2.028 -2.790 3.772) 5.111 22.116 ( -3.252 -1.374 -2.001) 4.058 22.394 ( -0.645 -0.561 3.332) 3.440 22.513 ( 6.038 0.495 0.941) 6.131 22.747 ( -2.271 -0.059 -3.987) 4.589 22.953 ( 2.958 1.019 -3.663) 4.817 ======================= Grid point 77 (42/78) ======================= q-point: (-0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 3.469 -2.492 4.061) 5.894 1.225 ( -3.389 -1.844 -1.111) 4.015 1.325 ( 3.116 3.906 -6.817) 8.452 1.365 ( -0.960 -1.987 -9.403) 9.659 1.609 ( 2.515 -0.784 5.423) 6.029 1.707 ( -3.325 -2.275 4.374) 5.947 1.779 ( -2.722 -1.367 4.162) 5.157 1.914 ( -5.348 -6.769 1.518) 8.760 2.014 ( -3.359 5.644 6.530) 9.262 2.387 ( -0.129 2.266 -2.747) 3.563 2.682 ( -0.999 -1.918 9.417) 9.662 2.708 ( 3.066 2.532 6.989) 8.041 2.846 ( -8.996 -2.688 7.668) 12.122 3.253 ( 1.287 -5.362 1.602) 5.742 3.324 ( -6.434 1.875 9.073) 11.280 3.517 ( 1.573 5.715 7.047) 9.209 3.693 ( -7.168 5.198 2.551) 9.215 3.803 ( -1.525 0.979 -2.378) 2.990 3.842 ( 2.982 -8.732 3.981) 10.049 3.860 ( -0.441 -1.419 3.458) 3.763 4.150 ( -4.553 0.246 -3.730) 5.891 4.242 ( 0.611 -9.561 -5.076) 10.842 4.284 ( 1.949 -5.531 2.720) 6.464 4.400 ( -4.584 -0.380 -4.572) 6.486 4.620 ( 6.971 -5.044 12.289) 15.002 4.626 ( 2.700 -4.332 2.575) 5.717 4.788 ( 4.136 1.726 -2.584) 5.174 4.854 ( -0.812 5.689 4.968) 7.597 4.959 ( 4.927 -0.150 0.376) 4.943 5.143 ( -3.870 2.393 -8.145) 9.329 5.337 ( -0.607 -3.711 -1.638) 4.102 5.456 ( 4.685 3.408 0.681) 5.833 5.617 ( 4.545 -4.805 -7.066) 9.678 5.924 ( 4.125 3.064 0.818) 5.203 5.967 ( 5.231 8.383 -13.346) 16.606 6.135 ( -3.615 6.974 -12.613) 14.860 6.293 ( -4.691 4.261 1.092) 6.431 6.368 ( -1.471 -1.442 0.185) 2.068 6.389 ( 6.069 3.428 -6.022) 9.211 6.591 ( -7.597 -0.309 2.346) 7.957 6.720 ( 5.021 0.020 12.824) 13.772 6.856 ( -7.229 -5.068 -3.998) 9.691 6.967 ( 1.674 7.539 2.457) 8.104 7.113 ( -3.520 0.305 1.254) 3.749 7.242 ( 0.050 -2.866 -4.290) 5.159 7.567 ( 2.991 -5.872 -5.361) 8.494 7.772 ( 4.941 -6.770 3.200) 8.972 7.890 ( 3.772 4.344 7.731) 9.637 8.064 ( -0.899 3.540 -1.130) 3.823 8.277 ( -5.517 3.791 -2.041) 6.998 8.359 ( -1.492 -2.876 1.759) 3.687 8.652 ( 2.426 -2.002 -0.666) 3.215 8.766 ( 0.974 4.742 -6.292) 7.938 8.853 ( -0.667 -4.108 -4.417) 6.069 9.200 ( -1.872 -1.352 1.398) 2.700 9.616 ( -1.512 4.564 7.083) 8.560 9.903 ( 1.753 0.515 -0.912) 2.043 10.006 ( 2.198 -2.240 -4.421) 5.421 10.143 ( 0.645 2.451 -2.545) 3.592 10.709 ( 7.203 -1.104 -19.169) 20.507 10.917 ( 1.977 -0.827 -6.027) 6.397 11.314 ( -0.920 2.245 3.032) 3.883 12.108 ( 2.092 -3.301 -9.460) 10.236 12.571 ( 1.006 -3.520 -2.807) 4.614 12.767 ( 1.882 9.641 -2.849) 10.227 13.040 ( -0.099 -0.716 -2.557) 2.657 13.410 ( -3.870 -3.487 6.991) 8.718 13.452 ( 5.734 -0.251 5.259) 7.784 13.529 ( 0.591 -1.183 1.349) 1.889 13.827 ( -10.999 3.451 6.167) 13.073 14.095 ( -5.987 -3.749 0.095) 7.064 14.251 ( 12.995 7.253 -5.394) 15.829 14.548 ( -1.541 -1.129 3.742) 4.201 14.690 ( 4.684 -2.730 0.993) 5.512 15.280 ( -2.768 -1.113 2.088) 3.641 15.347 ( -3.386 -0.885 2.587) 4.353 15.741 ( -5.755 1.748 7.243) 9.414 16.113 ( 9.480 -1.490 -1.028) 9.652 16.510 ( -4.800 -5.499 -0.601) 7.324 17.058 ( 0.614 3.047 -1.499) 3.451 17.446 ( -0.017 -4.893 3.986) 6.311 17.638 ( -3.057 1.011 -1.276) 3.463 18.692 ( 1.981 -5.383 -1.169) 5.854 18.953 ( -3.744 3.982 -4.220) 6.905 19.042 ( -0.741 -2.460 1.589) 3.021 19.261 ( -1.355 7.856 4.842) 9.327 19.310 ( 4.107 0.441 -0.046) 4.131 19.592 ( 0.480 1.328 -5.618) 5.792 19.834 ( 1.161 -1.135 -3.140) 3.535 20.217 ( -1.985 -5.555 0.503) 5.921 20.391 ( -1.124 -1.811 -4.047) 4.574 20.459 ( 0.598 1.526 -1.823) 2.451 20.716 ( -2.790 -6.925 0.204) 7.468 20.918 ( 10.653 9.519 0.921) 14.316 21.572 ( 0.381 2.962 3.329) 4.473 21.635 ( -5.581 -0.119 0.729) 5.630 22.018 ( 0.187 -4.799 2.246) 5.302 22.110 ( -0.691 -1.516 -1.218) 2.064 22.397 ( -1.364 0.264 2.535) 2.891 22.551 ( 0.978 1.705 -0.473) 2.022 22.726 ( 1.618 -0.742 -2.033) 2.702 22.940 ( 1.226 1.685 -4.104) 4.603 ======================= Grid point 78 (43/78) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.483 0.600 1.353) 2.095 1.234 ( -1.914 -0.760 -0.302) 2.081 1.273 ( 2.436 2.544 -6.012) 6.968 1.448 ( 2.424 -8.540 -3.092) 9.400 1.587 ( -6.128 2.196 4.507) 7.918 1.735 ( 9.268 2.307 5.023) 10.791 1.827 ( -1.591 -4.669 2.760) 5.652 1.936 ( -2.063 1.025 3.613) 4.285 2.024 ( 0.997 -2.561 10.292) 10.653 2.300 ( -2.846 2.138 -3.653) 5.100 2.599 ( -1.890 6.390 5.293) 8.510 2.699 ( -6.546 5.879 9.791) 13.163 2.961 ( 2.073 -9.287 8.406) 12.696 3.271 ( -4.531 -2.121 1.574) 5.245 3.380 ( 3.561 -2.227 0.729) 4.263 3.437 ( 1.204 4.346 11.020) 11.907 3.554 ( 0.808 8.026 -3.248) 8.696 3.764 ( -3.538 0.374 4.686) 5.883 3.888 ( -0.634 -5.162 5.528) 7.590 4.019 ( -6.457 4.467 -1.166) 7.938 4.127 ( 7.928 -4.626 0.613) 9.200 4.295 ( -6.880 -6.621 -11.181) 14.703 4.367 ( -3.852 -6.926 5.223) 9.492 4.457 ( 4.050 -1.132 -1.402) 4.433 4.580 ( -3.207 2.308 5.188) 6.521 4.665 ( 1.634 11.102 4.064) 11.935 4.720 ( -7.801 3.406 -5.631) 10.206 4.877 ( 1.236 -7.321 3.948) 8.409 5.028 ( -6.433 -0.827 -2.668) 7.013 5.076 ( 5.424 0.380 -0.584) 5.469 5.438 ( 6.129 -4.020 1.550) 7.491 5.477 ( 7.983 1.233 -4.101) 9.059 5.679 ( -3.552 4.802 -3.419) 6.883 5.760 ( 2.592 1.173 -11.961) 12.294 5.967 ( -4.856 1.274 -9.373) 10.633 6.023 ( 3.452 3.919 2.740) 5.897 6.223 ( 5.066 -1.684 0.428) 5.356 6.293 ( -6.059 -4.612 -7.689) 10.821 6.426 ( -2.099 1.415 -3.687) 4.472 6.540 ( 5.479 0.847 0.877) 5.613 6.778 ( -2.396 4.080 1.934) 5.111 6.828 ( -2.631 4.815 -2.465) 6.016 6.884 ( 6.986 -2.291 13.010) 14.943 7.138 ( -2.021 -4.549 -0.037) 4.978 7.320 ( 0.969 -6.578 -4.337) 7.939 7.530 ( 3.707 8.378 -4.734) 10.312 7.767 ( -19.284 1.028 4.250) 19.773 7.951 ( 3.551 0.612 5.756) 6.791 7.999 ( 1.591 4.182 2.725) 5.239 8.266 ( 3.604 -3.785 1.582) 5.461 8.450 ( 6.127 -5.623 -4.945) 9.676 8.665 ( -3.670 2.210 3.254) 5.380 8.733 ( 8.350 2.480 -7.158) 11.274 8.917 ( -1.977 -9.173 -4.604) 10.453 9.184 ( -0.815 2.940 0.670) 3.124 9.584 ( -3.001 -1.819 6.205) 7.129 9.847 ( -0.017 5.896 -0.766) 5.946 9.991 ( 0.960 3.705 -3.088) 4.918 10.158 ( 1.047 -3.249 -2.459) 4.207 10.716 ( 5.923 0.436 -19.324) 20.216 10.926 ( 1.840 -0.403 -6.126) 6.409 11.284 ( -0.806 0.985 3.284) 3.522 12.134 ( 4.181 0.301 -10.193) 11.021 12.612 ( 0.963 3.994 -3.365) 5.311 12.678 ( 2.452 -2.776 -0.866) 3.803 13.060 ( 0.237 -2.783 -3.831) 4.741 13.402 ( -5.978 -0.590 8.750) 10.614 13.533 ( -3.132 0.169 3.273) 4.533 13.544 ( -0.717 0.437 3.094) 3.205 13.693 ( 0.070 2.811 5.615) 6.279 14.010 ( -4.000 5.044 1.882) 6.707 14.286 ( 14.095 7.284 -6.256) 17.054 14.541 ( -6.959 -3.496 1.419) 7.916 14.779 ( 0.799 -2.595 0.473) 2.757 15.258 ( -5.545 -1.844 1.036) 5.935 15.355 ( -1.562 -1.206 5.540) 5.881 15.657 ( -4.056 2.424 3.761) 6.040 16.256 ( 13.890 2.531 -4.544) 14.832 16.518 ( -11.086 -6.022 3.317) 13.045 17.046 ( 2.247 -0.532 -1.529) 2.769 17.498 ( -3.002 -0.726 1.327) 3.362 17.693 ( 1.654 -8.596 2.480) 9.098 18.780 ( -2.580 7.093 -4.353) 8.713 18.819 ( 3.596 -4.513 0.625) 5.805 19.109 ( 1.946 3.446 3.904) 5.559 19.148 ( -0.697 -0.951 -1.266) 1.730 19.365 ( 0.210 -3.317 0.296) 3.336 19.583 ( 0.077 -2.319 -3.333) 4.061 19.869 ( 1.940 -1.724 -2.246) 3.432 20.235 ( -3.196 -0.372 -1.589) 3.588 20.385 ( 1.475 0.446 -2.978) 3.353 20.431 ( 1.010 1.911 -1.833) 2.835 20.718 ( -0.483 3.222 -2.156) 3.907 20.967 ( 5.454 -1.102 0.826) 5.625 21.452 ( -2.453 5.664 2.770) 6.766 21.670 ( -0.080 -2.905 3.458) 4.517 22.065 ( -5.749 -3.378 0.126) 6.669 22.152 ( 4.265 -1.319 -2.032) 4.905 22.380 ( -0.685 0.808 1.775) 2.068 22.485 ( -3.817 2.666 0.566) 4.690 22.787 ( 4.852 -1.340 -1.443) 5.236 22.896 ( -0.582 1.620 -3.456) 3.861 ======================= Grid point 79 (44/78) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.211 0.075 -2.787) 2.796 1.215 ( 0.393 -0.179 -1.177) 1.254 1.248 ( 1.019 1.349 -1.125) 2.031 1.514 ( -2.990 0.802 6.312) 7.030 1.540 ( -0.705 -1.139 -3.340) 3.599 1.777 ( -2.856 1.088 6.984) 7.624 1.867 ( -2.209 1.569 3.069) 4.094 2.028 ( 9.373 -4.944 1.136) 10.658 2.077 ( -0.409 0.679 3.534) 3.622 2.274 ( -1.389 -1.551 4.167) 4.658 2.402 ( -3.252 10.533 5.376) 12.264 2.653 ( -1.711 -0.303 11.982) 12.107 3.131 ( 0.745 -4.448 5.746) 7.304 3.234 ( -3.460 1.293 -6.227) 7.240 3.394 ( 4.128 4.336 -6.474) 8.818 3.432 ( -0.206 1.951 5.720) 6.047 3.647 ( 8.302 -8.637 9.445) 15.255 3.760 ( -3.467 -4.577 5.921) 8.248 3.835 ( -2.000 5.262 -3.625) 6.696 3.973 ( -6.137 0.468 17.486) 18.538 4.199 ( 1.503 0.782 -1.750) 2.436 4.225 ( -5.798 0.467 -10.236) 11.773 4.287 ( -7.355 8.698 3.220) 11.837 4.433 ( -1.374 3.334 3.471) 5.005 4.492 ( -3.798 2.703 9.460) 10.546 4.623 ( -2.510 -3.488 -3.776) 5.720 4.744 ( 0.454 -8.223 -4.224) 9.255 4.841 ( -7.460 -0.159 -7.817) 10.807 5.037 ( -6.921 -5.960 -3.854) 9.913 5.162 ( 6.732 -0.156 -1.641) 6.930 5.308 ( -2.028 8.616 -5.838) 10.603 5.460 ( 1.249 3.705 -6.142) 7.281 5.713 ( 5.148 3.052 1.019) 6.071 5.764 ( 7.113 -0.277 -4.631) 8.493 5.912 ( 1.850 -4.526 -11.844) 12.814 6.020 ( 0.433 -2.536 0.800) 2.694 6.232 ( 1.539 4.671 10.778) 11.847 6.365 ( 3.138 -5.291 -3.016) 6.851 6.500 ( 3.285 -6.874 -9.932) 12.518 6.519 ( -1.744 6.050 3.519) 7.213 6.744 ( 5.688 -0.364 -1.244) 5.834 6.876 ( 8.381 -4.904 2.989) 10.160 6.959 ( 4.958 7.514 0.850) 9.042 7.190 ( -5.725 -5.904 -0.803) 8.263 7.382 ( -5.133 3.908 -3.147) 7.178 7.439 ( -0.688 -1.577 5.436) 5.702 7.578 ( -4.871 -2.782 3.187) 6.452 7.897 ( -4.460 5.826 3.484) 8.122 8.002 ( -1.346 -0.379 7.570) 7.698 8.246 ( -3.171 3.936 -0.785) 5.115 8.618 ( 1.082 0.643 -1.479) 1.942 8.667 ( 9.241 -1.532 -3.588) 10.031 8.767 ( 3.125 -5.166 -7.606) 9.711 9.010 ( -6.318 -0.882 3.300) 7.182 9.153 ( 5.549 -3.854 -5.195) 8.523 9.645 ( -2.366 -4.705 5.658) 7.730 9.725 ( 0.818 7.482 0.741) 7.563 9.909 ( 0.456 5.147 -1.270) 5.321 10.224 ( 1.407 -3.721 -4.113) 5.722 10.686 ( 5.733 1.065 -20.121) 20.949 10.923 ( 1.472 0.044 -6.155) 6.328 11.296 ( 0.289 -0.544 4.293) 4.337 12.109 ( 2.917 2.804 -9.195) 10.046 12.514 ( 0.378 4.348 -3.325) 5.486 12.839 ( 5.568 -7.648 1.076) 9.521 13.084 ( -1.211 -1.833 -1.884) 2.894 13.378 ( -6.292 -1.862 6.370) 9.145 13.464 ( -5.253 1.466 3.234) 6.340 13.486 ( -4.364 1.888 2.077) 5.188 13.751 ( 9.261 2.639 2.632) 9.983 13.877 ( 1.496 7.879 1.956) 8.255 14.315 ( 8.050 3.352 -3.694) 9.470 14.515 ( -5.039 -2.220 1.838) 5.805 14.780 ( -10.905 -2.859 5.967) 12.756 15.250 ( 1.331 -0.706 0.555) 1.606 15.367 ( -2.471 -0.573 4.299) 4.992 15.605 ( 1.372 1.870 -2.128) 3.148 16.315 ( 3.945 3.335 -0.927) 5.248 16.466 ( -8.933 -2.968 1.712) 9.568 17.098 ( 2.286 -1.999 -1.640) 3.451 17.453 ( -4.541 0.489 1.837) 4.923 17.878 ( -0.134 -9.024 -4.862) 10.251 18.631 ( -0.528 5.227 -3.210) 6.156 18.894 ( 1.458 1.317 2.787) 3.410 19.086 ( 3.061 0.613 4.357) 5.359 19.224 ( 4.681 -2.281 -5.259) 7.401 19.428 ( -1.551 -5.317 -2.185) 5.955 19.658 ( -0.965 -8.559 0.277) 8.618 19.896 ( -0.417 -0.709 -2.851) 2.967 20.130 ( -0.980 8.244 -3.446) 8.989 20.379 ( 0.362 2.175 2.711) 3.494 20.423 ( 4.227 0.930 -2.583) 5.041 20.608 ( -1.306 5.388 -3.206) 6.405 21.062 ( -3.323 -7.747 -0.353) 8.437 21.375 ( 4.125 6.480 3.442) 8.418 21.736 ( 0.318 -2.245 4.718) 5.235 22.012 ( -6.718 -0.644 0.546) 6.771 22.203 ( 1.572 -0.779 -3.424) 3.848 22.377 ( 2.151 2.846 1.825) 4.007 22.407 ( -3.670 -0.521 3.063) 4.808 22.831 ( 0.098 0.569 -4.505) 4.542 22.879 ( 3.196 -0.871 -0.813) 3.411 ======================= Grid point 81 (45/78) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -6.738 -0.000 -0.351) 6.747 1.241 ( -8.102 -0.000 -14.301) 16.436 1.265 ( -0.208 -0.000 1.557) 1.571 1.485 ( -3.775 -0.000 -5.119) 6.360 1.498 ( -4.771 -0.000 -4.493) 6.554 1.594 ( -2.043 -0.000 9.690) 9.903 1.596 ( 3.146 0.000 12.077) 12.480 1.983 ( -3.545 -0.000 -2.436) 4.301 2.174 ( 0.787 0.000 5.010) 5.071 2.294 ( 2.981 0.000 -2.733) 4.044 2.620 ( -9.820 -0.000 20.050) 22.325 2.736 ( -6.829 -0.000 -0.733) 6.868 2.857 ( 8.603 0.000 0.720) 8.633 3.160 ( -4.873 -0.000 7.906) 9.287 3.411 ( -4.712 -0.000 3.891) 6.111 3.470 ( -17.830 -0.000 -1.981) 17.940 3.580 ( 2.432 0.000 9.924) 10.218 3.849 ( -6.069 -0.000 5.865) 8.440 3.895 ( 1.625 0.000 0.111) 1.629 3.966 ( 2.313 0.000 1.582) 2.803 3.991 ( -0.456 -0.000 2.255) 2.301 4.085 ( -4.067 -0.000 7.535) 8.563 4.219 ( 7.348 0.000 -1.083) 7.428 4.306 ( 9.558 0.000 10.205) 13.982 4.419 ( -4.688 -0.000 -8.833) 9.999 4.557 ( 1.351 0.000 9.042) 9.143 4.799 ( 9.782 0.000 -2.961) 10.220 4.924 ( 5.590 0.000 -2.615) 6.172 5.133 ( 2.847 0.000 -2.827) 4.012 5.246 ( -3.111 -0.000 -14.976) 15.296 5.274 ( 3.983 0.000 -4.226) 5.808 5.433 ( 6.123 0.000 -1.944) 6.424 5.570 ( 5.636 0.000 0.824) 5.695 6.014 ( -2.675 -0.000 0.175) 2.681 6.146 ( 3.027 0.000 -11.596) 11.984 6.250 ( 9.994 0.000 -13.350) 16.677 6.336 ( -3.261 -0.000 -3.887) 5.073 6.495 ( 2.644 0.000 -1.983) 3.305 6.563 ( -1.070 -0.000 7.580) 7.655 6.624 ( -8.666 -0.000 -2.290) 8.963 6.659 ( 3.884 0.000 5.772) 6.957 6.797 ( -7.105 -0.000 1.772) 7.323 6.924 ( -1.529 -0.000 2.510) 2.939 7.116 ( 7.459 0.000 2.846) 7.984 7.319 ( -2.981 -0.000 -0.944) 3.127 7.372 ( -0.550 -0.000 2.334) 2.398 7.497 ( -6.633 -0.000 2.975) 7.270 8.142 ( 14.796 0.000 0.211) 14.797 8.153 ( 0.309 0.000 1.090) 1.133 8.209 ( 6.207 0.000 4.596) 7.724 8.370 ( -17.753 -0.000 1.569) 17.822 8.599 ( 1.176 0.000 -11.093) 11.156 8.726 ( -1.181 -0.000 -5.526) 5.651 8.875 ( 1.023 0.000 -9.150) 9.207 9.202 ( -7.069 -0.000 1.905) 7.321 9.749 ( -1.364 -0.000 7.960) 8.076 9.843 ( 6.954 0.000 -3.726) 7.889 9.949 ( 3.056 0.000 2.392) 3.881 10.233 ( 1.174 0.000 -6.140) 6.251 10.686 ( 8.203 0.000 -19.423) 21.085 10.898 ( 1.755 0.000 -5.499) 5.772 11.371 ( -0.337 -0.000 2.670) 2.691 11.984 ( -0.301 -0.000 -6.144) 6.151 12.509 ( 2.506 0.000 -3.032) 3.934 13.022 ( -4.337 -0.000 -5.577) 7.065 13.071 ( -1.562 -0.000 2.315) 2.793 13.276 ( 4.819 0.000 3.544) 5.982 13.433 ( 4.994 0.000 4.481) 6.709 13.570 ( 2.814 0.000 0.328) 2.833 13.832 ( -1.940 -0.000 -2.025) 2.804 13.965 ( -11.323 -0.000 6.337) 12.976 14.355 ( 11.831 0.000 -3.932) 12.467 14.544 ( -2.649 -0.000 5.808) 6.384 14.685 ( 8.478 0.000 5.666) 10.197 15.265 ( -4.346 -0.000 0.953) 4.449 15.314 ( -7.566 -0.000 2.981) 8.132 15.778 ( -6.178 -0.000 7.016) 9.348 16.059 ( 12.069 0.000 2.119) 12.253 16.423 ( -2.344 -0.000 -3.893) 4.544 17.153 ( 1.436 0.000 -2.682) 3.042 17.343 ( -1.532 -0.000 5.947) 6.141 17.672 ( -6.063 -0.000 -6.231) 8.694 18.574 ( 0.446 0.000 -2.312) 2.354 18.886 ( -2.265 -0.000 3.736) 4.369 19.126 ( -4.933 -0.000 0.258) 4.940 19.258 ( -1.099 -0.000 -5.802) 5.906 19.519 ( 7.690 0.000 -2.884) 8.213 19.767 ( -0.363 -0.000 -1.402) 1.448 19.799 ( -2.377 -0.000 2.492) 3.444 19.945 ( -0.902 -0.000 -2.340) 2.508 20.329 ( -2.083 -0.000 -0.672) 2.189 20.500 ( 1.579 0.000 -0.885) 1.810 20.576 ( 1.583 0.000 0.202) 1.596 21.128 ( 5.519 0.000 1.375) 5.688 21.523 ( 3.643 0.000 -0.086) 3.644 21.809 ( -9.088 -0.000 1.570) 9.223 21.816 ( -1.493 -0.000 4.268) 4.522 22.087 ( 0.805 0.000 -0.819) 1.148 22.392 ( -1.492 -0.000 3.120) 3.459 22.607 ( 6.219 0.000 1.000) 6.299 22.707 ( -1.164 -0.000 -3.103) 3.315 22.974 ( 1.846 0.000 -5.248) 5.563 ======================= Grid point 82 (46/78) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -7.292 -12.380 0.546) 14.378 1.089 ( -4.807 0.459 -6.209) 7.865 1.282 ( -1.259 -1.715 -1.952) 2.887 1.364 ( 0.347 2.052 -3.753) 4.291 1.583 ( -1.102 -9.179 1.540) 9.372 1.659 ( 2.604 -0.856 2.668) 3.825 1.701 ( -2.066 -4.547 7.283) 8.831 1.913 ( 3.130 3.781 1.210) 5.056 2.129 ( 1.121 5.496 5.204) 7.651 2.385 ( 0.589 -1.997 -2.512) 3.262 2.638 ( -1.016 -4.539 9.535) 10.608 2.686 ( -9.631 -3.827 12.074) 15.911 2.814 ( -5.114 6.758 1.228) 8.563 3.179 ( -0.261 -4.085 3.654) 5.487 3.331 ( -5.570 2.457 2.121) 6.446 3.386 ( -13.993 -12.604 3.480) 19.151 3.645 ( 0.122 1.407 9.793) 9.895 3.787 ( -1.653 -0.712 8.650) 8.836 3.880 ( -1.787 1.042 0.415) 2.109 3.932 ( 1.628 5.199 0.046) 5.448 4.022 ( 3.755 0.687 -1.254) 4.018 4.186 ( -1.057 -4.905 4.711) 6.882 4.272 ( -1.877 1.504 -2.875) 3.748 4.347 ( 2.516 -2.652 1.451) 3.933 4.576 ( 8.401 -7.752 9.414) 14.809 4.708 ( 8.073 -4.935 4.085) 10.306 4.871 ( 0.534 -0.176 -5.351) 5.381 4.902 ( 4.864 7.474 -1.938) 9.125 5.113 ( 3.180 3.445 -1.003) 4.795 5.148 ( 1.749 3.734 -9.425) 10.287 5.332 ( 5.797 -0.921 -3.551) 6.860 5.464 ( 1.975 0.981 -0.703) 2.315 5.698 ( 8.485 -2.131 0.434) 8.759 5.921 ( -3.823 -0.189 -6.899) 7.889 6.046 ( -5.829 1.312 -9.535) 11.253 6.192 ( 1.786 14.206 -12.859) 19.245 6.315 ( -6.276 2.254 -6.759) 9.495 6.398 ( -2.410 7.034 -3.154) 8.077 6.481 ( 4.563 -2.042 5.223) 7.229 6.564 ( -1.279 1.787 2.439) 3.283 6.676 ( -3.297 2.692 3.934) 5.796 6.785 ( -0.327 -4.194 3.669) 5.582 7.003 ( 0.646 -7.106 -1.265) 7.247 7.178 ( 1.310 7.199 4.747) 8.722 7.245 ( -1.118 4.324 0.302) 4.477 7.483 ( 4.582 -6.840 3.865) 9.095 7.570 ( -0.609 -11.069 4.750) 12.060 8.058 ( -8.946 4.243 2.090) 10.120 8.182 ( 5.862 3.809 -2.620) 7.466 8.235 ( -4.985 0.412 -1.542) 5.235 8.352 ( 8.591 -0.379 0.398) 8.608 8.579 ( -0.993 -2.527 -8.278) 8.712 8.732 ( -0.531 -4.516 -4.782) 6.598 8.836 ( 1.623 2.107 -7.172) 7.649 9.111 ( -6.891 -0.985 1.185) 7.061 9.716 ( -2.319 4.934 7.948) 9.638 9.929 ( 4.505 -2.842 -5.447) 7.619 9.993 ( 1.206 0.013 2.665) 2.925 10.192 ( 0.750 3.052 -4.153) 5.209 10.712 ( 8.240 -0.323 -18.966) 20.681 10.905 ( 2.193 -0.573 -5.443) 5.896 11.351 ( -1.328 2.006 1.792) 3.000 12.010 ( 1.588 -5.043 -7.373) 9.073 12.536 ( 1.625 -1.308 -2.551) 3.295 12.892 ( -2.919 5.080 -5.361) 7.942 13.037 ( -0.011 2.322 0.363) 2.350 13.372 ( 1.605 -1.236 6.910) 7.201 13.522 ( 1.968 -0.462 3.429) 3.981 13.605 ( 7.790 1.714 -0.830) 8.019 13.774 ( -6.463 1.654 2.727) 7.207 13.910 ( -7.352 -6.440 3.484) 10.376 14.446 ( -1.822 -0.981 4.294) 4.766 14.548 ( 8.730 4.276 -5.612) 11.224 14.789 ( 6.723 2.384 1.807) 7.358 15.198 ( -8.385 -0.740 2.247) 8.712 15.262 ( -5.289 -3.600 6.898) 9.408 15.715 ( -3.950 0.638 2.996) 4.999 16.249 ( 5.242 -1.545 6.477) 8.475 16.417 ( 7.202 0.003 -5.727) 9.202 17.119 ( 0.707 3.508 -2.725) 4.498 17.400 ( 1.014 -3.358 5.653) 6.653 17.578 ( -5.177 -0.306 -1.089) 5.299 18.616 ( 1.494 -5.105 -2.508) 5.881 18.890 ( -3.340 -1.942 2.185) 4.438 19.027 ( -4.176 2.847 0.031) 5.055 19.237 ( -2.250 -2.300 -3.706) 4.908 19.541 ( 6.123 9.958 3.863) 12.312 19.633 ( -0.002 5.102 -5.139) 7.241 19.803 ( 0.115 -1.581 -2.350) 2.835 20.067 ( -0.565 -9.689 0.396) 9.713 20.319 ( -1.393 -2.093 -2.008) 3.218 20.504 ( 2.181 1.878 -1.526) 3.257 20.613 ( -0.792 -2.934 -0.003) 3.039 21.166 ( 6.972 5.385 0.389) 8.818 21.534 ( -6.524 -1.855 -2.283) 7.157 21.672 ( 1.434 4.879 4.024) 6.485 21.888 ( -3.914 -6.151 3.728) 8.188 22.111 ( 2.491 -0.780 -0.862) 2.749 22.379 ( -2.614 -0.151 2.375) 3.535 22.623 ( 1.651 4.143 -0.223) 4.466 22.736 ( 3.716 -2.197 -0.832) 4.396 22.951 ( 0.174 1.229 -6.136) 6.261 ======================= Grid point 83 (47/78) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -5.295 -7.657 -1.356) 9.407 1.078 ( 0.153 -5.958 -2.102) 6.320 1.276 ( -0.696 -0.407 -1.021) 1.301 1.400 ( 3.182 -2.980 -2.971) 5.276 1.578 ( -3.984 2.535 0.531) 4.752 1.754 ( 0.449 -2.694 3.467) 4.414 1.826 ( 5.307 -6.870 0.724) 8.711 1.977 ( 5.218 -0.054 4.574) 6.939 2.105 ( 1.001 2.919 11.662) 12.064 2.306 ( -2.622 5.268 -5.465) 8.031 2.641 ( -8.260 1.321 1.264) 8.460 2.674 ( -5.958 -2.067 11.309) 12.949 2.869 ( 3.265 -8.817 14.484) 17.268 3.229 ( -4.059 2.356 1.991) 5.099 3.264 ( -5.469 -8.250 2.120) 10.123 3.488 ( -3.582 -8.026 5.267) 10.246 3.619 ( -2.435 3.833 4.811) 6.616 3.765 ( -1.372 1.283 1.618) 2.480 3.884 ( 2.763 3.799 2.094) 5.143 3.982 ( 2.234 -5.728 -0.169) 6.150 4.100 ( 5.815 -4.339 4.476) 8.525 4.136 ( -5.208 -1.266 -1.031) 5.458 4.239 ( -1.258 0.748 -6.520) 6.682 4.474 ( 1.358 -3.447 3.384) 5.018 4.649 ( -0.546 4.259 -1.064) 4.423 4.708 ( -4.388 9.261 7.830) 12.897 4.849 ( 5.065 0.521 -2.959) 5.890 4.934 ( 1.540 5.762 1.487) 6.147 5.070 ( 1.721 4.921 4.073) 6.616 5.116 ( 0.480 -0.158 -3.660) 3.695 5.446 ( -2.454 1.469 -6.146) 6.779 5.466 ( 9.909 -5.384 2.918) 11.649 5.739 ( -2.356 4.324 -3.629) 6.117 5.857 ( 8.338 4.046 -7.970) 12.223 5.922 ( -1.384 6.208 -13.279) 14.723 5.992 ( -5.629 -5.000 -5.812) 9.511 6.156 ( -2.519 -1.604 -9.188) 9.661 6.283 ( 3.477 5.615 0.436) 6.619 6.508 ( 1.473 5.485 4.258) 7.098 6.584 ( 0.003 -1.094 -2.346) 2.589 6.684 ( 0.855 -3.853 5.707) 6.939 6.878 ( -2.381 -6.715 6.084) 9.369 7.061 ( 3.747 8.027 2.380) 9.173 7.094 ( -0.827 0.665 1.036) 1.483 7.218 ( 1.953 -4.274 -3.442) 5.825 7.548 ( -9.678 -0.367 7.409) 12.194 7.652 ( 0.870 3.684 -2.655) 4.623 8.042 ( -0.164 2.036 -1.723) 2.673 8.088 ( -1.081 0.246 -2.837) 3.046 8.238 ( 4.598 -3.077 0.520) 5.557 8.462 ( 7.628 0.286 -0.794) 7.675 8.603 ( -2.534 -6.367 0.900) 6.912 8.715 ( -8.682 -1.847 -0.638) 8.899 8.843 ( 7.716 0.878 -9.170) 12.017 9.110 ( -3.206 -5.810 0.177) 6.638 9.616 ( -2.849 5.411 7.118) 9.384 9.952 ( 1.407 3.426 -0.880) 3.807 10.020 ( 1.526 -1.237 -4.112) 4.557 10.137 ( 0.425 1.752 -1.620) 2.424 10.726 ( 7.015 0.747 -18.971) 20.240 10.919 ( 2.301 -0.365 -5.820) 6.269 11.306 ( -1.434 1.475 2.276) 3.068 12.099 ( 3.569 -4.634 -9.311) 10.996 12.583 ( 1.599 -3.694 -2.276) 4.624 12.745 ( -1.523 6.076 -4.565) 7.751 13.022 ( 1.317 -0.089 -1.743) 2.187 13.385 ( -3.336 1.730 7.737) 8.602 13.528 ( -2.205 1.218 5.212) 5.788 13.602 ( -2.059 4.921 2.887) 6.066 13.772 ( 7.877 -1.098 -0.479) 7.967 13.981 ( -2.311 -5.470 3.950) 7.132 14.388 ( -10.360 -2.200 2.346) 10.848 14.545 ( 7.773 6.804 -6.613) 12.266 14.768 ( -2.468 3.761 3.942) 5.982 15.179 ( 0.335 -3.153 -0.925) 3.303 15.314 ( -2.526 -2.888 7.876) 8.761 15.683 ( 1.361 1.775 -1.743) 2.836 16.284 ( -11.274 -5.508 8.966) 15.422 16.507 ( 14.344 6.340 -5.151) 16.507 17.064 ( 0.326 1.376 -2.450) 2.829 17.470 ( -0.863 -0.133 3.146) 3.265 17.586 ( -0.772 -5.669 3.540) 6.728 18.763 ( 4.437 -8.105 -2.964) 9.704 18.820 ( -3.476 4.145 -0.961) 5.494 19.011 ( -2.059 -4.798 1.087) 5.333 19.232 ( -1.847 -0.199 0.537) 1.933 19.386 ( -0.851 8.864 2.078) 9.144 19.604 ( 4.364 2.164 -5.379) 7.257 19.832 ( 0.120 -2.508 -2.024) 3.225 20.193 ( 1.540 -3.000 0.860) 3.480 20.359 ( 1.659 -4.013 -1.931) 4.752 20.481 ( 1.616 2.554 -2.489) 3.916 20.645 ( -3.021 -4.054 -0.339) 5.068 21.084 ( -1.073 8.077 -4.411) 9.266 21.486 ( -2.087 -1.405 3.211) 4.079 21.685 ( 3.775 1.283 1.613) 4.301 21.935 ( -4.573 -3.672 4.247) 7.241 22.167 ( 3.027 -1.547 -1.485) 3.709 22.359 ( -2.457 -0.605 2.218) 3.365 22.553 ( 0.844 5.492 0.337) 5.567 22.822 ( 4.392 -1.878 -0.935) 4.867 22.886 ( -1.890 1.752 -5.884) 6.423 ======================= Grid point 84 (48/78) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -4.360 -1.332 -3.046) 5.483 1.212 ( 5.458 -4.331 -1.149) 7.062 1.269 ( -0.309 0.620 0.598) 0.915 1.433 ( -1.826 -4.630 -7.491) 8.994 1.546 ( -0.009 1.735 5.305) 5.582 1.788 ( -1.341 -0.009 3.749) 3.982 1.856 ( -6.393 3.264 0.557) 7.199 2.064 ( -1.093 -1.455 2.470) 3.069 2.126 ( 0.177 3.184 0.122) 3.191 2.250 ( 5.461 -3.932 5.254) 8.538 2.545 ( -2.100 3.991 3.413) 5.656 2.663 ( -4.572 1.622 14.010) 14.826 3.040 ( -6.790 -5.162 9.763) 12.965 3.199 ( 0.433 0.039 -0.588) 0.731 3.412 ( 3.374 -9.353 2.632) 10.285 3.461 ( -8.102 5.015 5.990) 11.254 3.634 ( 4.545 -7.996 0.931) 9.245 3.722 ( 0.703 6.096 4.852) 7.822 3.910 ( -4.998 0.319 1.839) 5.335 3.958 ( 3.261 4.723 -1.348) 5.895 4.120 ( -1.865 -2.542 -1.690) 3.577 4.162 ( -0.257 -0.933 -5.253) 5.341 4.383 ( -1.477 3.640 15.307) 15.803 4.455 ( -1.928 -5.033 -4.007) 6.716 4.549 ( -2.772 1.304 3.857) 4.926 4.608 ( 1.683 6.344 2.836) 7.150 4.760 ( -0.436 8.583 -0.781) 8.629 4.835 ( -2.851 11.046 -5.475) 12.654 4.873 ( -1.238 -1.730 1.747) 2.752 5.204 ( 3.910 -3.433 -1.721) 5.481 5.413 ( -3.139 -5.061 -5.578) 8.159 5.466 ( -1.811 12.623 -5.971) 14.081 5.703 ( -2.373 2.641 -7.126) 7.962 5.759 ( 3.073 -3.259 -1.000) 4.589 5.983 ( 12.488 -4.456 -4.971) 14.160 5.992 ( 3.120 -1.434 -5.407) 6.406 6.262 ( 1.610 -10.997 -11.722) 16.154 6.322 ( 6.339 -0.451 0.164) 6.357 6.470 ( 4.517 4.875 5.910) 8.894 6.554 ( -3.954 -0.915 2.762) 4.909 6.773 ( -2.987 0.021 0.753) 3.080 6.929 ( 0.848 -0.282 0.411) 0.983 7.036 ( -6.098 -3.413 5.127) 8.667 7.104 ( 4.766 -0.697 2.947) 5.646 7.316 ( -1.959 2.377 -4.048) 5.087 7.430 ( 1.970 -0.789 4.987) 5.420 7.581 ( 2.935 2.460 -5.304) 6.542 7.925 ( -5.877 4.071 1.092) 7.232 8.063 ( 0.883 3.266 1.920) 3.890 8.295 ( 0.268 3.254 1.103) 3.447 8.591 ( 1.240 -7.025 -1.222) 7.238 8.601 ( -3.942 -1.136 -5.209) 6.631 8.774 ( -2.488 -8.505 7.405) 11.548 8.855 ( 3.605 1.435 -8.137) 9.015 9.169 ( 2.297 -1.365 -2.270) 3.506 9.582 ( -1.524 -2.125 7.275) 7.731 9.879 ( 1.465 6.082 -0.420) 6.270 9.995 ( 1.305 3.912 -3.063) 5.137 10.152 ( 0.636 -3.457 -3.295) 4.818 10.703 ( 6.571 1.745 -19.642) 20.785 10.920 ( 1.952 0.328 -6.154) 6.465 11.301 ( -0.476 -0.827 3.598) 3.722 12.139 ( 2.881 0.668 -10.130) 10.553 12.592 ( -0.148 5.424 -3.802) 6.625 12.729 ( 2.387 -9.113 -1.681) 9.570 13.043 ( 1.002 -1.038 -2.616) 2.988 13.347 ( -2.439 0.988 8.134) 8.549 13.466 ( -4.183 3.776 5.028) 7.552 13.512 ( -1.692 3.270 3.163) 4.854 13.914 ( 11.356 -0.544 -3.005) 11.759 14.001 ( -2.219 2.215 4.021) 5.099 14.353 ( -5.745 -3.976 -0.645) 7.017 14.458 ( -1.265 3.191 0.283) 3.444 14.681 ( -4.031 3.653 5.711) 7.887 15.269 ( 4.135 -2.909 -0.475) 5.078 15.339 ( -1.701 -0.341 4.416) 4.745 15.672 ( 4.873 2.370 -3.806) 6.622 16.226 ( -14.914 -1.939 9.772) 17.936 16.514 ( 6.980 5.451 -4.146) 9.779 17.069 ( 0.440 -2.221 -2.111) 3.096 17.438 ( -2.355 2.251 3.292) 4.632 17.709 ( -1.042 -7.190 -1.037) 7.339 18.694 ( -1.022 5.093 -2.491) 5.761 18.941 ( 4.771 -2.664 0.525) 5.489 19.099 ( -1.971 -7.823 -3.399) 8.754 19.180 ( 0.936 2.985 5.287) 6.143 19.323 ( -2.305 -2.295 0.016) 3.253 19.606 ( 2.611 -0.315 -4.644) 5.336 19.854 ( -0.681 -1.282 -2.805) 3.158 20.212 ( 1.387 3.107 -0.007) 3.403 20.428 ( 1.036 1.919 -0.532) 2.245 20.459 ( 2.708 -0.841 -3.226) 4.295 20.678 ( 0.977 0.750 -0.192) 1.247 20.905 ( -6.426 -0.162 -3.155) 7.160 21.515 ( 2.392 1.722 2.968) 4.183 21.716 ( -0.227 -1.617 1.642) 2.316 21.950 ( -1.627 -0.704 4.774) 5.092 22.186 ( -1.279 0.538 -2.085) 2.504 22.378 ( -0.038 -1.881 3.000) 3.541 22.480 ( 2.369 4.570 0.611) 5.184 22.806 ( -2.886 0.856 -4.782) 5.651 22.899 ( 3.893 -1.579 -2.029) 4.665 ======================= Grid point 87 (49/78) ======================= q-point: (-0.60 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -2.850 -0.000 6.004) 6.646 1.065 ( 0.861 0.000 -4.381) 4.465 1.245 ( -1.281 -0.000 -1.339) 1.853 1.379 ( -1.286 -0.000 -1.459) 1.945 1.517 ( 5.346 0.000 10.443) 11.732 1.662 ( -2.458 -0.000 -2.863) 3.774 1.689 ( 3.141 0.000 3.428) 4.650 2.010 ( 5.571 0.000 0.833) 5.633 2.219 ( -0.957 -0.000 5.220) 5.307 2.359 ( 3.033 0.000 -4.771) 5.654 2.555 ( -9.297 -0.000 -3.694) 10.004 2.610 ( -6.708 -0.000 23.029) 23.986 2.847 ( -2.749 -0.000 4.289) 5.094 3.060 ( -12.669 -0.000 5.170) 13.683 3.198 ( 1.700 0.000 3.156) 3.585 3.275 ( -4.167 -0.000 -2.956) 5.109 3.689 ( 0.655 0.000 8.857) 8.881 3.807 ( -4.409 -0.000 -2.749) 5.196 3.857 ( -0.024 -0.000 14.337) 14.337 3.999 ( -2.485 -0.000 4.230) 4.906 4.036 ( -0.569 -0.000 -7.053) 7.076 4.221 ( -1.027 -0.000 0.844) 1.330 4.294 ( -7.067 -0.000 13.788) 15.494 4.323 ( 10.337 0.000 12.093) 15.909 4.649 ( 10.865 0.000 -5.369) 12.119 4.820 ( -1.002 -0.000 -9.946) 9.996 4.833 ( 10.872 0.000 5.334) 12.110 5.021 ( 1.373 0.000 -0.475) 1.453 5.152 ( 1.540 0.000 -2.698) 3.107 5.187 ( 4.917 0.000 -10.847) 11.910 5.409 ( 10.193 0.000 -2.427) 10.478 5.541 ( 3.704 0.000 -2.363) 4.394 5.703 ( 3.108 0.000 -1.822) 3.602 5.795 ( -6.790 -0.000 -11.283) 13.169 6.026 ( 0.000 0.000 -1.150) 1.150 6.158 ( -8.466 -0.000 -12.320) 14.948 6.311 ( -7.044 -0.000 -7.238) 10.100 6.369 ( -3.695 -0.000 -3.342) 4.982 6.466 ( 0.319 0.000 1.185) 1.228 6.659 ( -3.717 -0.000 -5.121) 6.328 6.682 ( 6.223 0.000 9.811) 11.619 6.806 ( 1.657 0.000 8.041) 8.210 6.887 ( -3.722 -0.000 2.765) 4.636 7.236 ( -3.329 -0.000 2.905) 4.419 7.369 ( 0.204 0.000 -3.431) 3.437 7.497 ( 14.657 0.000 2.996) 14.960 7.531 ( 2.190 0.000 12.630) 12.818 7.915 ( -14.355 -0.000 6.739) 15.858 8.158 ( -5.927 -0.000 -9.825) 11.475 8.282 ( 7.574 0.000 -5.198) 9.186 8.446 ( 5.322 0.000 -1.620) 5.563 8.557 ( 3.486 0.000 -3.274) 4.782 8.643 ( 0.324 0.000 -7.171) 7.179 8.810 ( -5.157 -0.000 -5.226) 7.343 9.051 ( -0.278 -0.000 -2.790) 2.804 9.767 ( -2.599 -0.000 7.584) 8.017 9.911 ( 2.047 0.000 -5.951) 6.294 10.013 ( -1.785 -0.000 5.080) 5.385 10.211 ( 0.798 0.000 -3.865) 3.946 10.735 ( 8.170 0.000 -18.462) 20.189 10.908 ( 2.574 0.000 -5.132) 5.741 11.350 ( -2.305 -0.000 0.459) 2.350 11.959 ( 2.901 0.000 -6.633) 7.239 12.535 ( 0.995 0.000 -1.768) 2.029 12.845 ( -4.135 -0.000 -6.071) 7.345 13.083 ( 1.504 0.000 0.621) 1.627 13.425 ( 0.574 0.000 6.632) 6.657 13.583 ( 2.948 0.000 3.096) 4.275 13.673 ( 4.519 0.000 -0.242) 4.526 13.742 ( -2.763 -0.000 -1.922) 3.365 13.791 ( -3.858 -0.000 7.272) 8.232 14.352 ( -12.694 -0.000 6.395) 14.214 14.683 ( 6.214 0.000 -5.337) 8.191 14.885 ( 2.870 0.000 -4.045) 4.959 15.122 ( -2.088 -0.000 5.720) 6.090 15.210 ( -1.125 -0.000 8.573) 8.646 15.707 ( 1.604 0.000 -2.483) 2.957 16.188 ( -10.383 -0.000 7.526) 12.823 16.640 ( 20.748 0.000 -4.668) 21.266 17.135 ( -1.089 -0.000 -6.045) 6.143 17.419 ( 2.255 0.000 7.069) 7.420 17.525 ( -2.392 -0.000 4.598) 5.183 18.563 ( 0.624 0.000 -3.041) 3.104 18.854 ( -2.320 -0.000 3.727) 4.390 19.003 ( -4.323 -0.000 1.409) 4.547 19.159 ( -2.098 -0.000 -4.980) 5.404 19.648 ( 1.505 0.000 -7.172) 7.328 19.757 ( 0.514 0.000 -0.634) 0.817 19.814 ( 3.652 0.000 7.337) 8.195 19.923 ( 1.211 0.000 -3.216) 3.436 20.284 ( -0.253 -0.000 -1.483) 1.504 20.547 ( 2.289 0.000 -1.894) 2.971 20.572 ( -1.881 -0.000 -0.366) 1.916 21.297 ( 4.771 0.000 2.044) 5.190 21.376 ( -11.106 -0.000 -4.135) 11.851 21.778 ( -3.865 -0.000 4.131) 5.657 21.810 ( 6.273 0.000 3.596) 7.230 22.131 ( 2.699 0.000 -1.157) 2.936 22.351 ( -2.939 -0.000 2.130) 3.629 22.714 ( 2.851 0.000 -0.958) 3.008 22.730 ( 2.324 0.000 0.713) 2.431 22.927 ( -1.124 -0.000 -7.742) 7.823 ======================= Grid point 88 (50/78) ======================= q-point: (-0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 5.020 -7.577 9.452) 13.113 1.070 ( 4.058 -0.813 -4.465) 6.088 1.239 ( -0.930 -1.609 -1.115) 2.167 1.367 ( -0.905 -0.334 -0.811) 1.260 1.605 ( 2.456 1.979 -1.525) 3.503 1.702 ( -1.508 -4.783 4.549) 6.771 1.793 ( 6.621 -4.828 4.327) 9.266 2.032 ( -2.305 1.428 2.902) 3.972 2.210 ( 2.859 1.856 5.216) 6.231 2.333 ( -4.366 4.452 -6.526) 9.026 2.454 ( -5.300 -6.172 -1.935) 8.362 2.652 ( -8.263 -2.802 18.109) 20.101 2.870 ( 2.963 -2.123 12.880) 13.386 3.063 ( -4.517 -7.611 4.728) 10.034 3.219 ( 0.030 0.561 -3.191) 3.240 3.305 ( 0.912 -8.274 2.452) 8.678 3.672 ( -6.092 6.155 1.124) 8.732 3.769 ( 2.111 -2.471 5.268) 6.190 3.927 ( -0.915 -2.390 5.847) 6.383 3.997 ( 0.345 -0.399 -4.689) 4.719 4.028 ( -0.490 -2.560 8.898) 9.272 4.118 ( -2.442 3.798 1.106) 4.649 4.345 ( -4.030 -3.064 8.323) 9.742 4.479 ( 10.098 4.020 11.025) 15.482 4.695 ( 0.268 2.145 -4.467) 4.963 4.856 ( 4.130 0.924 -4.689) 6.316 4.898 ( -3.208 -4.140 -2.497) 5.803 4.941 ( 2.373 8.353 0.491) 8.697 5.117 ( -1.776 1.949 -2.059) 3.346 5.175 ( 4.862 4.736 -8.641) 10.988 5.489 ( -3.011 6.753 -6.927) 10.132 5.576 ( 13.331 -0.745 3.430) 13.786 5.704 ( 0.413 -2.429 -7.859) 8.236 5.759 ( -6.108 -3.197 -7.742) 10.366 5.989 ( -2.462 6.072 -1.941) 6.834 6.008 ( -0.494 -1.701 -10.330) 10.481 6.091 ( 1.191 5.594 -6.361) 8.555 6.318 ( -2.984 -0.580 1.658) 3.463 6.521 ( -3.324 -4.986 3.004) 6.703 6.629 ( -2.690 1.416 -2.856) 4.171 6.711 ( -0.293 -1.183 3.812) 4.002 6.777 ( 0.712 7.694 10.050) 12.677 7.016 ( 2.678 -9.536 1.841) 10.075 7.174 ( -1.755 1.423 -1.833) 2.910 7.284 ( 1.537 6.808 -0.765) 7.021 7.528 ( -2.930 1.765 2.145) 4.038 7.721 ( 3.905 1.032 6.223) 7.419 7.946 ( -0.252 -9.466 1.219) 9.547 8.001 ( -4.839 -0.607 -6.510) 8.134 8.325 ( 6.274 3.463 -1.801) 7.389 8.490 ( -1.583 1.822 -4.464) 5.075 8.555 ( 4.254 -2.702 1.081) 5.155 8.646 ( -5.493 3.417 0.299) 6.475 8.808 ( 3.923 -10.403 -5.619) 12.458 9.045 ( 3.782 1.313 -6.332) 7.492 9.710 ( -3.269 5.432 7.308) 9.675 9.931 ( 0.136 -3.001 -6.987) 7.606 9.999 ( -3.695 -0.556 4.721) 6.021 10.185 ( 1.136 2.534 -2.284) 3.596 10.747 ( 6.880 0.636 -18.463) 19.714 10.921 ( 2.656 -0.223 -5.496) 6.108 11.309 ( -2.453 0.872 0.992) 2.786 12.022 ( 4.421 -4.721 -8.017) 10.300 12.548 ( 0.858 -1.514 -1.787) 2.495 12.757 ( -2.792 2.380 -4.821) 6.058 13.080 ( 2.857 2.801 -1.550) 4.291 13.429 ( -1.465 2.236 7.523) 7.984 13.565 ( -0.676 2.524 4.916) 5.567 13.660 ( -2.434 4.372 -0.043) 5.004 13.813 ( 1.155 -6.811 0.858) 6.962 13.842 ( 0.575 -4.612 4.920) 6.768 14.203 ( -14.429 -2.332 4.056) 15.168 14.662 ( 1.634 5.110 -2.583) 5.954 14.842 ( -1.583 2.549 -2.875) 4.156 15.181 ( 6.580 -0.296 1.236) 6.702 15.292 ( 1.177 -2.715 7.969) 8.501 15.724 ( 3.762 0.478 -4.774) 6.097 16.107 ( -11.187 -2.805 9.576) 14.990 16.780 ( 11.746 6.716 -6.809) 15.147 17.060 ( -2.819 1.191 -3.851) 4.919 17.499 ( 2.133 -1.482 4.815) 5.471 17.556 ( 2.744 0.959 8.121) 8.625 18.640 ( 2.644 -8.475 -3.978) 9.728 18.835 ( -1.977 1.590 2.305) 3.427 18.959 ( -1.707 -0.276 2.509) 3.048 19.150 ( -1.524 -3.221 -3.031) 4.678 19.551 ( -2.709 7.941 -1.761) 8.573 19.708 ( 4.209 7.421 -1.908) 8.742 19.795 ( 1.192 -1.000 -1.976) 2.515 20.143 ( 5.567 -11.011 1.649) 12.448 20.296 ( 0.692 -2.459 -1.917) 3.194 20.518 ( -1.707 1.788 -1.382) 2.832 20.569 ( -0.583 -0.806 -1.321) 1.654 21.143 ( -7.320 7.154 -2.778) 10.605 21.413 ( -0.287 -5.220 2.048) 5.615 21.738 ( -2.449 1.055 3.239) 4.196 21.920 ( 5.846 -0.594 2.867) 6.538 22.171 ( 2.491 -1.013 -1.573) 3.115 22.329 ( -2.067 -0.557 2.238) 3.097 22.666 ( 1.331 5.355 -0.100) 5.519 22.807 ( 0.231 -2.506 -1.021) 2.716 22.863 ( -0.638 0.525 -7.041) 7.090 ======================= Grid point 89 (51/78) ======================= q-point: (-0.20 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 1.757 -0.495 4.701) 5.042 1.185 ( 5.382 -5.666 -4.273) 8.907 1.257 ( -0.267 -1.552 -0.522) 1.659 1.367 ( 3.584 0.052 -2.510) 4.376 1.610 ( 1.367 2.349 2.552) 3.728 1.724 ( -5.169 -2.902 3.125) 6.702 1.868 ( -1.879 2.684 0.953) 3.412 1.978 ( -8.065 -2.410 6.913) 10.892 2.129 ( -6.825 5.876 -5.118) 10.359 2.322 ( 6.301 -2.747 0.602) 6.900 2.530 ( 1.262 -4.988 5.829) 7.776 2.697 ( -3.341 -1.498 14.499) 14.954 2.930 ( -6.084 -0.059 8.280) 10.275 3.217 ( 2.509 -3.536 3.470) 5.554 3.291 ( 4.018 -9.415 5.462) 11.603 3.465 ( -7.525 4.217 5.155) 10.049 3.516 ( 2.276 -8.266 -2.519) 8.937 3.828 ( -1.922 -1.249 5.410) 5.876 3.931 ( -6.802 -0.944 -0.061) 6.867 3.941 ( 3.779 7.072 -0.391) 8.028 4.117 ( 3.106 -1.491 5.113) 6.166 4.224 ( 7.130 -5.331 1.976) 9.119 4.347 ( 1.231 -1.803 -2.213) 3.109 4.489 ( 2.991 8.522 2.058) 9.263 4.636 ( -5.386 6.234 7.973) 11.465 4.711 ( 1.539 3.173 -0.747) 3.605 4.826 ( -6.091 0.150 5.686) 8.334 4.904 ( -7.666 13.308 -6.298) 16.600 4.993 ( 2.378 5.679 -4.437) 7.589 5.183 ( 4.697 -1.748 -2.379) 5.548 5.277 ( -0.972 -2.262 -5.713) 6.221 5.537 ( -10.195 7.020 -6.553) 14.006 5.734 ( 1.552 1.941 -8.013) 8.390 5.797 ( 10.521 -1.093 0.842) 10.611 5.854 ( 1.042 -1.992 -8.648) 8.936 6.065 ( 1.558 -4.261 -7.357) 8.643 6.191 ( 14.233 -2.636 -1.697) 14.574 6.320 ( -6.769 -5.320 -0.419) 8.620 6.498 ( -4.325 6.375 1.819) 7.916 6.587 ( -0.190 -2.816 6.056) 6.681 6.699 ( -3.877 2.130 4.000) 5.964 6.785 ( -4.159 -9.050 3.597) 10.590 7.056 ( -2.806 3.025 -3.799) 5.608 7.156 ( 0.181 4.989 1.093) 5.111 7.315 ( 3.659 -3.320 -4.478) 6.668 7.477 ( 4.038 -3.135 -2.395) 5.645 7.685 ( 4.182 6.838 -0.607) 8.038 7.924 ( -0.614 -0.098 2.643) 2.715 8.111 ( -1.137 1.224 2.562) 3.059 8.336 ( -7.505 0.063 1.783) 7.714 8.375 ( -3.097 -2.402 -2.348) 4.569 8.590 ( 4.139 -0.670 -1.995) 4.643 8.683 ( 1.067 -4.306 4.699) 6.462 8.935 ( 5.940 3.372 -10.423) 12.462 9.122 ( 3.837 -7.394 -0.907) 8.380 9.605 ( -3.139 4.005 7.355) 8.944 9.916 ( -3.095 -0.363 -1.319) 3.384 10.007 ( 0.198 -2.090 -3.332) 3.938 10.144 ( 1.184 2.611 -1.553) 3.260 10.730 ( 6.300 1.307 -18.967) 20.029 10.928 ( 2.331 0.347 -6.144) 6.580 11.288 ( -1.452 -0.681 2.619) 3.071 12.116 ( 4.105 -2.950 -9.868) 11.088 12.614 ( 2.086 -5.554 -2.198) 6.327 12.654 ( -1.273 4.153 -3.163) 5.373 13.062 ( 2.729 1.948 -4.246) 5.410 13.396 ( -1.448 2.444 9.886) 10.286 13.520 ( -2.456 4.291 5.188) 7.166 13.565 ( -1.431 3.336 2.011) 4.150 13.871 ( -12.413 -6.147 7.215) 15.618 13.987 ( 10.619 -4.809 -3.789) 12.257 14.167 ( -7.611 -6.672 1.389) 10.216 14.574 ( 4.189 7.080 -1.032) 8.291 14.753 ( -2.332 3.929 0.088) 4.569 15.272 ( 3.022 -0.792 2.969) 4.310 15.353 ( 0.845 -0.368 1.743) 1.972 15.738 ( 1.021 0.160 -0.059) 1.035 16.082 ( -5.545 -2.324 6.418) 8.794 16.679 ( 0.630 8.948 -4.528) 10.048 17.028 ( -0.410 -0.914 -1.651) 1.931 17.511 ( 0.857 4.371 4.010) 5.993 17.621 ( 0.748 -1.933 3.355) 3.944 18.763 ( 0.795 3.920 -1.417) 4.243 18.847 ( 1.565 -10.640 -3.826) 11.415 19.006 ( 1.516 -2.950 3.840) 5.074 19.184 ( -1.608 -3.266 -0.447) 3.667 19.362 ( -1.491 8.544 1.712) 8.841 19.631 ( 0.786 3.278 -5.318) 6.297 19.829 ( 1.814 -0.883 -2.417) 3.148 20.275 ( 2.078 1.231 0.611) 2.491 20.426 ( 1.662 -5.512 -5.223) 7.773 20.451 ( -2.148 1.318 -0.724) 2.622 20.624 ( 4.759 -7.577 1.129) 9.018 20.913 ( -5.107 8.936 -1.081) 10.349 21.501 ( -1.179 -4.833 2.481) 5.559 21.696 ( -3.141 1.282 2.396) 4.153 22.002 ( 5.538 0.969 1.983) 5.961 22.177 ( -1.289 1.247 -1.530) 2.357 22.359 ( 0.715 -2.466 2.360) 3.488 22.580 ( -0.389 4.486 -0.542) 4.535 22.757 ( -2.577 0.759 -3.840) 4.687 22.899 ( 2.445 -2.074 -2.746) 4.221 ======================= Grid point 93 (52/78) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 7.671 0.000 10.692) 13.160 1.088 ( 4.789 0.000 -5.587) 7.358 1.210 ( -0.350 -0.000 -0.459) 0.577 1.399 ( 5.138 0.000 3.672) 6.315 1.658 ( -2.662 -0.000 4.614) 5.327 1.667 ( 4.673 0.000 -2.364) 5.237 1.847 ( 4.251 0.000 3.743) 5.664 1.978 ( -9.649 -0.000 4.249) 10.543 2.244 ( -9.185 -0.000 -5.930) 10.933 2.283 ( 1.287 0.000 9.242) 9.331 2.358 ( 1.593 0.000 -5.930) 6.141 2.574 ( -7.470 -0.000 14.564) 16.368 2.958 ( 3.378 0.000 9.711) 10.281 3.014 ( 2.988 0.000 10.104) 10.536 3.240 ( 3.458 0.000 -0.958) 3.589 3.268 ( 4.177 0.000 -3.605) 5.517 3.661 ( -3.218 -0.000 -4.518) 5.547 3.789 ( -1.255 -0.000 8.320) 8.414 3.891 ( -2.674 -0.000 -0.684) 2.761 4.011 ( -5.120 -0.000 19.849) 20.498 4.019 ( 9.419 0.000 -7.834) 12.251 4.179 ( -10.546 -0.000 17.755) 20.651 4.215 ( -1.641 -0.000 4.795) 5.068 4.646 ( 3.568 0.000 -6.117) 7.081 4.738 ( -9.592 -0.000 1.562) 9.719 4.823 ( 5.270 0.000 3.066) 6.097 4.845 ( 3.857 0.000 -11.448) 12.080 5.111 ( 0.724 0.000 0.389) 0.822 5.117 ( 8.070 0.000 -2.855) 8.560 5.243 ( 4.607 0.000 -9.608) 10.655 5.466 ( -5.502 -0.000 -8.105) 9.796 5.603 ( -9.525 -0.000 -6.449) 11.503 5.610 ( -3.460 -0.000 -4.620) 5.772 5.803 ( 8.368 0.000 -6.833) 10.803 5.905 ( 0.790 0.000 -6.666) 6.713 5.907 ( -3.605 -0.000 -2.283) 4.267 6.232 ( 7.874 0.000 3.387) 8.571 6.324 ( -9.005 -0.000 -1.740) 9.172 6.347 ( 2.459 0.000 4.519) 5.145 6.583 ( -8.573 -0.000 6.507) 10.763 6.780 ( 0.222 0.000 -3.582) 3.589 6.831 ( -3.142 -0.000 -1.403) 3.441 7.043 ( 10.741 0.000 12.205) 16.258 7.102 ( -6.244 -0.000 -7.518) 9.773 7.341 ( -0.653 -0.000 -2.452) 2.538 7.473 ( -6.368 -0.000 -0.204) 6.371 7.797 ( -0.492 -0.000 10.627) 10.638 7.868 ( -5.833 -0.000 -6.700) 8.884 7.979 ( 12.567 0.000 6.252) 14.036 8.455 ( 6.966 0.000 -4.381) 8.229 8.465 ( -16.492 -0.000 1.757) 16.586 8.546 ( 3.145 0.000 0.259) 3.156 8.674 ( 8.341 0.000 -7.906) 11.492 8.710 ( 7.555 0.000 -0.991) 7.620 9.101 ( 5.669 0.000 -9.031) 10.663 9.755 ( -3.039 -0.000 6.364) 7.052 9.856 ( -2.636 -0.000 -5.864) 6.429 9.939 ( -6.480 -0.000 5.669) 8.610 10.217 ( 1.696 0.000 -1.922) 2.563 10.751 ( 5.505 0.000 -18.737) 19.529 10.928 ( 2.450 0.000 -5.472) 5.996 11.287 ( -2.422 -0.000 1.292) 2.745 12.009 ( 5.542 0.000 -7.760) 9.536 12.531 ( -0.248 -0.000 -1.555) 1.575 12.742 ( -0.018 -0.000 -3.192) 3.192 13.131 ( 2.233 0.000 -2.495) 3.348 13.470 ( -0.938 -0.000 8.328) 8.380 13.600 ( -2.578 -0.000 0.818) 2.704 13.643 ( -9.717 -0.000 7.630) 12.355 13.708 ( 0.752 0.000 -0.140) 0.765 13.895 ( 8.036 0.000 1.601) 8.194 13.993 ( -16.311 -0.000 4.756) 16.990 14.753 ( 5.883 0.000 -2.995) 6.601 14.780 ( -5.492 -0.000 -4.411) 7.044 15.298 ( 6.883 0.000 -0.546) 6.904 15.313 ( 0.807 0.000 9.025) 9.061 15.730 ( -2.828 -0.000 0.059) 2.829 16.016 ( -2.386 -0.000 4.790) 5.351 16.880 ( -1.246 -0.000 -10.482) 10.556 17.032 ( 0.819 0.000 -0.571) 0.999 17.520 ( 0.455 0.000 4.458) 4.481 17.728 ( 11.143 0.000 7.656) 13.520 18.563 ( 1.610 0.000 -3.315) 3.685 18.843 ( -1.183 -0.000 3.682) 3.868 18.952 ( -0.979 -0.000 3.193) 3.340 19.106 ( 1.694 0.000 -3.726) 4.093 19.554 ( -2.908 -0.000 -3.731) 4.731 19.803 ( 3.708 0.000 -1.393) 3.961 19.937 ( 1.771 0.000 -3.191) 3.649 19.988 ( 3.448 0.000 1.340) 3.699 20.290 ( 1.454 0.000 -1.275) 1.934 20.482 ( -4.583 -0.000 0.534) 4.614 20.572 ( 1.557 0.000 -2.455) 2.907 21.117 ( -5.485 -0.000 0.826) 5.547 21.359 ( -1.286 -0.000 0.895) 1.567 21.727 ( -2.806 -0.000 5.127) 5.845 22.019 ( 7.700 0.000 -0.245) 7.704 22.186 ( 2.174 0.000 -2.700) 3.467 22.309 ( -1.469 -0.000 2.398) 2.812 22.695 ( -6.159 -0.000 -2.681) 6.717 22.797 ( 3.673 0.000 -1.697) 4.046 22.825 ( -0.295 -0.000 -3.842) 3.853 ======================= Grid point 94 (53/78) ======================= q-point: (-0.20 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 2.100 0.580 4.316) 4.834 1.167 ( 7.038 -2.881 -5.218) 9.223 1.223 ( -0.153 -1.405 0.558) 1.520 1.501 ( 10.298 3.083 4.347) 11.595 1.623 ( -7.351 -0.842 5.509) 9.224 1.660 ( -2.217 1.760 -0.546) 2.883 1.886 ( -0.717 0.622 1.488) 1.765 1.914 ( -2.188 0.377 9.326) 9.587 2.099 ( -6.643 2.149 -2.286) 7.346 2.315 ( -0.284 -0.458 -1.362) 1.465 2.443 ( -1.124 -8.843 5.916) 10.698 2.617 ( -3.840 -5.699 10.183) 12.285 3.012 ( 2.821 4.392 8.351) 9.848 3.164 ( 6.444 -5.226 6.862) 10.767 3.313 ( 5.177 -1.267 1.928) 5.668 3.377 ( 4.284 -8.105 -4.688) 10.297 3.515 ( -4.262 7.837 -1.699) 9.081 3.792 ( -3.753 0.553 7.448) 8.358 3.931 ( 0.140 -1.817 2.724) 3.277 4.020 ( -9.467 -4.256 12.620) 16.340 4.063 ( 2.959 2.617 3.217) 5.095 4.216 ( 9.089 -5.947 -0.734) 10.887 4.323 ( -0.476 -6.587 6.684) 9.396 4.594 ( -7.232 0.472 -0.063) 7.247 4.652 ( -5.473 -0.886 -6.941) 8.883 4.710 ( -3.373 7.770 -1.485) 8.600 4.835 ( -3.083 4.905 -3.598) 6.820 5.016 ( 2.048 10.627 -5.859) 12.306 5.104 ( 0.740 8.372 -0.020) 8.405 5.212 ( -1.593 6.194 -7.894) 10.160 5.340 ( 8.314 1.564 -1.445) 8.582 5.468 ( -7.752 -0.209 -1.351) 7.872 5.611 ( -5.306 -9.439 -5.352) 12.078 5.773 ( -1.753 -6.395 -13.371) 14.925 5.920 ( 5.420 -0.110 -2.434) 5.943 6.065 ( 8.855 3.134 -3.782) 10.126 6.159 ( -2.729 1.626 4.462) 5.477 6.348 ( -6.493 -5.319 4.008) 9.302 6.421 ( 9.518 2.099 0.511) 9.760 6.593 ( -5.530 -9.398 6.127) 12.507 6.623 ( -3.725 7.598 -3.089) 9.008 6.814 ( 2.131 2.172 0.399) 3.069 6.965 ( -6.897 2.268 -6.674) 9.862 7.260 ( -1.019 1.008 2.608) 2.976 7.280 ( 8.999 -2.382 -1.304) 9.400 7.443 ( -2.294 -0.784 -2.669) 3.605 7.759 ( -2.401 -1.070 2.728) 3.788 7.899 ( 0.026 -4.554 4.639) 6.500 8.139 ( -6.708 4.276 7.004) 10.600 8.229 ( -2.544 0.642 3.205) 4.142 8.459 ( 6.035 3.391 -4.075) 8.033 8.636 ( 1.068 -3.947 -0.440) 4.112 8.655 ( 6.987 4.018 -5.543) 9.782 8.978 ( 7.634 -8.983 -1.290) 11.859 9.088 ( 4.356 3.370 -8.397) 10.042 9.678 ( -3.779 5.615 6.399) 9.315 9.811 ( -5.861 -3.403 -1.177) 6.879 9.934 ( -1.969 -3.881 -0.012) 4.352 10.207 ( 1.811 2.823 -2.080) 3.947 10.730 ( 4.936 0.072 -19.333) 19.954 10.933 ( 2.054 0.042 -5.969) 6.313 11.272 ( -1.250 -0.205 2.803) 3.076 12.078 ( 5.387 -3.167 -9.158) 11.087 12.542 ( -0.147 -3.144 -2.415) 3.967 12.719 ( 2.409 3.634 -0.746) 4.423 13.116 ( 1.463 2.513 -4.120) 5.043 13.456 ( -3.889 2.548 9.312) 10.409 13.567 ( -2.133 0.086 2.098) 2.992 13.581 ( -2.760 1.153 3.383) 4.516 13.666 ( -9.398 -0.839 7.097) 11.807 13.935 ( -7.886 -9.490 2.029) 12.505 14.047 ( 12.061 -2.894 -2.588) 12.670 14.670 ( -5.265 2.362 -1.639) 5.999 14.795 ( 5.195 2.818 -2.614) 6.462 15.336 ( -0.132 1.738 6.078) 6.323 15.346 ( -0.675 -0.443 -0.501) 0.950 15.676 ( -8.621 -1.915 7.359) 11.495 16.087 ( 8.883 -1.687 -2.348) 9.342 16.736 ( -7.314 4.601 -4.865) 9.916 17.041 ( 2.326 1.453 -0.890) 2.883 17.531 ( -2.125 -0.381 2.225) 3.101 17.789 ( 7.225 9.420 3.829) 12.474 18.664 ( 1.381 -9.065 -4.484) 10.207 18.836 ( 0.572 1.773 2.487) 3.107 18.989 ( 1.091 -2.730 4.875) 5.693 19.141 ( 3.441 -1.269 -3.512) 5.078 19.468 ( -2.021 5.056 -0.906) 5.519 19.723 ( -1.402 10.751 -2.577) 11.144 19.853 ( 4.170 0.146 -1.760) 4.528 20.236 ( -1.247 -12.218 -6.118) 13.721 20.312 ( 2.732 -1.288 0.428) 3.050 20.427 ( -2.837 0.067 0.334) 2.858 20.601 ( 3.232 -2.582 -1.329) 4.345 21.025 ( 0.162 7.059 2.943) 7.649 21.383 ( -3.553 -5.466 1.169) 6.623 21.707 ( -1.800 1.626 4.863) 5.434 22.099 ( 6.073 0.765 -1.430) 6.285 22.174 ( -1.215 1.176 -3.395) 3.793 22.332 ( 0.359 -2.370 1.907) 3.063 22.568 ( -7.902 1.497 -1.467) 8.176 22.778 ( 2.502 2.526 -1.589) 3.894 22.870 ( 1.273 -2.416 -2.335) 3.593 ======================= Grid point 99 (54/78) ======================= q-point: (-0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.899 0.000 0.671) 1.121 1.201 ( 6.462 0.000 -9.024) 11.099 1.220 ( 0.252 0.000 1.897) 1.914 1.562 ( -6.856 -0.000 7.367) 10.064 1.575 ( -7.549 -0.000 0.710) 7.582 1.693 ( 6.470 0.000 13.295) 14.786 1.881 ( -1.555 -0.000 0.189) 1.567 2.005 ( 5.830 0.000 2.804) 6.469 2.043 ( -2.388 -0.000 3.519) 4.253 2.311 ( -6.527 -0.000 9.109) 11.206 2.312 ( -0.697 -0.000 -1.677) 1.816 2.600 ( 1.145 0.000 8.947) 9.019 3.115 ( 4.081 0.000 4.038) 5.741 3.288 ( 5.780 0.000 6.605) 8.777 3.289 ( 0.422 0.000 -10.497) 10.506 3.351 ( 5.036 0.000 0.465) 5.058 3.654 ( 7.280 0.000 1.308) 7.396 3.784 ( -4.394 -0.000 -1.697) 4.710 3.808 ( -1.392 -0.000 7.129) 7.263 3.977 ( -9.218 -0.000 20.057) 22.074 4.166 ( -2.607 -0.000 9.409) 9.764 4.198 ( -1.791 -0.000 2.619) 3.173 4.257 ( 4.900 0.000 -4.205) 6.457 4.502 ( -8.183 -0.000 8.669) 11.921 4.548 ( -3.243 -0.000 -10.158) 10.663 4.762 ( -1.777 -0.000 -7.278) 7.492 4.808 ( 0.279 0.000 -6.599) 6.605 5.114 ( -22.198 -0.000 -10.057) 24.370 5.141 ( -7.075 -0.000 -2.641) 7.552 5.235 ( -3.037 -0.000 -7.185) 7.800 5.251 ( 2.447 0.000 -1.320) 2.781 5.383 ( 4.952 0.000 -5.173) 7.161 5.561 ( 10.870 0.000 1.498) 10.973 5.671 ( 5.152 0.000 -4.472) 6.822 5.929 ( 3.876 0.000 -12.040) 12.649 6.151 ( -3.178 -0.000 4.211) 5.275 6.200 ( -5.629 -0.000 3.830) 6.808 6.351 ( -9.386 -0.000 11.929) 15.179 6.387 ( 17.492 0.000 -2.783) 17.712 6.583 ( -6.969 -0.000 -3.772) 7.924 6.646 ( 10.884 0.000 0.128) 10.885 6.820 ( 4.097 0.000 -7.358) 8.422 6.927 ( -1.644 -0.000 -2.489) 2.983 7.317 ( -5.237 -0.000 -1.093) 5.349 7.352 ( 2.842 0.000 -3.199) 4.279 7.377 ( 5.622 0.000 11.107) 12.449 7.705 ( -8.161 -0.000 -0.176) 8.163 7.849 ( -1.910 -0.000 6.365) 6.645 8.084 ( -12.820 -0.000 8.252) 15.246 8.227 ( -0.183 -0.000 4.756) 4.760 8.561 ( 8.362 0.000 -6.902) 10.843 8.604 ( 2.206 0.000 -2.781) 3.550 8.870 ( 7.272 0.000 -4.093) 8.345 8.890 ( 5.788 0.000 -2.573) 6.334 9.180 ( 6.344 0.000 -6.520) 9.098 9.679 ( -6.962 -0.000 0.747) 7.002 9.728 ( -3.310 -0.000 6.527) 7.318 9.857 ( -1.514 -0.000 -0.245) 1.534 10.252 ( 2.274 0.000 -3.206) 3.930 10.700 ( 4.642 0.000 -20.179) 20.706 10.930 ( 1.645 0.000 -6.040) 6.260 11.278 ( -0.023 -0.000 3.906) 3.906 12.074 ( 4.307 0.000 -8.436) 9.472 12.491 ( -0.868 -0.000 -2.513) 2.659 12.816 ( 6.143 0.000 1.266) 6.272 13.128 ( -0.842 -0.000 -2.454) 2.594 13.434 ( -6.244 -0.000 8.895) 10.868 13.514 ( -4.362 -0.000 -0.090) 4.363 13.611 ( -1.989 -0.000 0.086) 1.991 13.621 ( -8.420 -0.000 8.747) 12.141 13.749 ( 2.396 0.000 0.903) 2.561 14.171 ( 11.521 0.000 -1.768) 11.656 14.599 ( -6.170 -0.000 -0.188) 6.173 14.869 ( 0.811 0.000 -0.671) 1.053 15.290 ( -6.593 -0.000 2.305) 6.985 15.373 ( -1.240 -0.000 5.634) 5.769 15.596 ( -3.163 -0.000 2.538) 4.055 16.190 ( 10.622 0.000 -3.409) 11.156 16.636 ( -10.870 -0.000 -1.869) 11.030 17.089 ( 2.849 0.000 -1.193) 3.089 17.499 ( -3.897 -0.000 1.904) 4.337 17.979 ( 4.418 0.000 -4.601) 6.379 18.576 ( 1.223 0.000 -2.605) 2.877 18.859 ( -0.024 -0.000 3.559) 3.559 19.019 ( 3.466 0.000 4.110) 5.377 19.179 ( 5.692 0.000 -3.667) 6.771 19.486 ( -0.241 -0.000 -1.930) 1.945 19.869 ( 1.223 0.000 -3.545) 3.750 19.940 ( -4.906 -0.000 -3.103) 5.806 19.960 ( 2.332 0.000 -2.018) 3.084 20.331 ( 1.317 0.000 2.778) 3.075 20.398 ( -0.692 -0.000 -0.913) 1.146 20.589 ( 0.399 0.000 -3.274) 3.298 21.168 ( 6.269 0.000 5.644) 8.435 21.254 ( -6.357 -0.000 -0.513) 6.378 21.734 ( -0.487 -0.000 5.688) 5.708 22.110 ( -4.897 -0.000 -3.991) 6.318 22.184 ( 4.880 0.000 -4.524) 6.654 22.323 ( 0.530 0.000 2.945) 2.992 22.473 ( -7.437 -0.000 1.599) 7.607 22.840 ( 1.118 0.000 -3.454) 3.631 22.846 ( 2.851 0.000 -0.365) 2.874 ======================= Grid point 100 (55/78) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.638 -0.000 1.286) 2.082 1.062 ( 6.625 0.000 -11.371) 13.160 1.279 ( 0.497 0.000 0.496) 0.702 1.480 ( 0.534 0.000 -2.976) 3.023 1.522 ( -3.757 -0.000 -3.693) 5.268 1.811 ( -4.074 -0.000 3.356) 5.278 1.838 ( -7.743 -0.000 5.333) 9.402 2.092 ( -2.711 -0.000 0.561) 2.768 2.166 ( 5.206 0.000 -1.981) 5.570 2.280 ( -5.043 -0.000 3.061) 5.899 2.593 ( 9.818 0.000 6.217) 11.621 2.915 ( -8.321 -0.000 -5.847) 10.170 3.047 ( -4.293 -0.000 18.183) 18.683 3.305 ( -0.024 -0.000 4.981) 4.981 3.355 ( 11.459 0.000 1.333) 11.536 3.575 ( 1.929 0.000 1.071) 2.206 3.746 ( 7.387 0.000 -2.666) 7.853 3.775 ( -12.386 -0.000 -8.179) 14.843 3.904 ( -2.121 -0.000 5.203) 5.619 3.973 ( 1.387 0.000 -2.704) 3.039 4.057 ( -13.863 -0.000 -9.996) 17.091 4.113 ( -3.553 -0.000 0.647) 3.611 4.319 ( 5.387 0.000 6.401) 8.366 4.443 ( 0.300 0.000 0.346) 0.458 4.526 ( -3.559 -0.000 17.330) 17.692 4.575 ( -1.706 -0.000 3.357) 3.765 4.762 ( -1.741 -0.000 3.101) 3.556 4.823 ( -0.659 -0.000 3.088) 3.158 5.011 ( 2.197 0.000 -5.929) 6.323 5.188 ( -1.727 -0.000 -8.595) 8.767 5.199 ( -3.548 -0.000 -1.663) 3.919 5.287 ( 5.614 0.000 3.267) 6.496 5.563 ( -6.782 -0.000 -1.859) 7.032 5.607 ( 16.539 0.000 -15.486) 22.657 5.805 ( 7.268 0.000 -6.684) 9.875 6.127 ( -4.040 -0.000 0.333) 4.053 6.270 ( 3.853 0.000 -8.144) 9.010 6.367 ( 2.588 0.000 0.546) 2.645 6.633 ( -0.670 -0.000 3.438) 3.502 6.733 ( 5.360 0.000 11.694) 12.864 6.839 ( -0.382 -0.000 -0.747) 0.839 6.881 ( 5.255 0.000 4.558) 6.956 7.062 ( -5.781 -0.000 -0.470) 5.800 7.146 ( -5.363 -0.000 -0.596) 5.396 7.146 ( 5.803 0.000 7.801) 9.723 7.595 ( -7.374 -0.000 -0.084) 7.374 7.695 ( -9.127 -0.000 -4.600) 10.221 7.846 ( 5.854 0.000 7.832) 9.778 8.120 ( -1.042 -0.000 -1.980) 2.237 8.163 ( 1.898 0.000 3.801) 4.248 8.393 ( 3.410 0.000 -12.863) 13.307 8.658 ( 2.683 0.000 -1.500) 3.074 8.771 ( -0.623 -0.000 -7.697) 7.722 8.873 ( -8.262 -0.000 3.699) 9.052 9.313 ( 1.731 0.000 3.014) 3.476 9.600 ( 5.202 0.000 -3.608) 6.331 9.861 ( -1.133 -0.000 5.845) 5.953 9.870 ( 1.750 0.000 0.349) 1.784 10.106 ( 0.705 0.000 -7.545) 7.578 10.358 ( 3.688 0.000 -9.185) 9.898 10.801 ( 1.008 0.000 -4.341) 4.456 11.406 ( 0.387 0.000 2.540) 2.569 11.951 ( -0.088 -0.000 -3.187) 3.188 12.412 ( 1.080 0.000 -2.382) 2.615 13.024 ( 3.158 0.000 -0.370) 3.180 13.091 ( 1.295 0.000 -0.131) 1.302 13.270 ( -5.208 -0.000 -1.617) 5.453 13.414 ( -1.857 -0.000 1.600) 2.452 13.617 ( -1.365 -0.000 6.606) 6.746 13.830 ( 1.125 0.000 -0.295) 1.163 13.889 ( 7.798 0.000 -1.022) 7.865 14.310 ( -0.205 -0.000 0.015) 0.205 14.597 ( 1.458 0.000 2.812) 3.167 14.829 ( -10.028 -0.000 6.229) 11.805 15.337 ( 5.478 0.000 1.554) 5.694 15.376 ( -2.885 -0.000 0.615) 2.950 15.506 ( 4.507 0.000 -5.811) 7.354 16.380 ( -12.306 -0.000 1.281) 12.373 16.393 ( 4.806 0.000 3.930) 6.209 17.067 ( 1.918 0.000 -4.090) 4.517 17.453 ( -2.709 -0.000 2.462) 3.660 17.745 ( -3.752 -0.000 -4.093) 5.552 18.534 ( 0.714 0.000 -1.961) 2.086 18.977 ( -0.882 -0.000 4.647) 4.730 19.175 ( 2.416 0.000 -4.769) 5.347 19.190 ( 2.356 0.000 1.448) 2.765 19.343 ( -0.515 -0.000 -4.493) 4.523 19.752 ( -0.538 -0.000 -2.252) 2.315 19.865 ( -1.018 -0.000 1.167) 1.548 19.963 ( -0.385 -0.000 -0.611) 0.722 20.361 ( -0.342 -0.000 -1.120) 1.171 20.482 ( -0.617 -0.000 -1.182) 1.334 20.518 ( 3.405 0.000 2.447) 4.193 21.080 ( -2.387 -0.000 -0.489) 2.436 21.440 ( 3.366 0.000 2.046) 3.939 21.867 ( 0.226 0.000 2.701) 2.711 21.995 ( -2.568 -0.000 1.304) 2.880 22.101 ( -1.721 -0.000 -2.707) 3.208 22.438 ( 0.719 0.000 2.875) 2.963 22.485 ( 2.086 0.000 1.927) 2.840 22.707 ( -1.529 -0.000 -3.515) 3.833 22.882 ( 1.824 0.000 -2.049) 2.743 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.129 -2.098 2.991) 3.824 1.079 ( -1.014 -3.469 -11.062) 11.637 1.279 ( -0.126 0.936 -0.794) 1.234 1.322 ( -1.189 6.534 -4.435) 7.986 1.618 ( -0.254 -7.953 0.778) 7.995 1.754 ( -4.314 0.859 3.544) 5.648 1.843 ( -2.189 -3.201 6.599) 7.654 1.995 ( -5.841 3.232 0.448) 6.690 2.159 ( 0.108 2.146 -0.274) 2.166 2.349 ( -0.043 -5.297 1.918) 5.634 2.701 ( 4.616 2.336 -1.199) 5.311 2.815 ( -1.692 -0.763 4.106) 4.506 3.110 ( -5.947 -3.827 16.559) 18.006 3.288 ( -2.309 0.852 4.075) 4.760 3.412 ( -1.208 2.491 -4.701) 5.455 3.588 ( -0.035 -1.611 -2.015) 2.580 3.676 ( 4.661 -0.105 -1.460) 4.885 3.851 ( -2.802 0.200 1.383) 3.131 3.905 ( -5.991 -4.688 -0.826) 7.652 3.927 ( 0.327 0.698 0.489) 0.913 4.035 ( 8.548 -4.694 3.576) 10.387 4.124 ( -1.149 -3.473 0.171) 3.662 4.281 ( -5.587 2.441 5.024) 7.900 4.441 ( -8.610 -1.281 0.136) 8.706 4.603 ( 3.673 -0.658 7.740) 8.592 4.668 ( 6.219 -0.952 5.134) 8.120 4.749 ( -4.767 -1.833 0.438) 5.126 4.792 ( 6.097 2.786 0.189) 6.706 5.018 ( 2.418 -1.444 -4.367) 5.197 5.064 ( -2.349 2.340 -2.508) 4.157 5.208 ( -2.093 -3.536 -5.252) 6.669 5.392 ( 5.900 -1.410 1.697) 6.299 5.550 ( 1.513 -2.145 1.321) 2.939 5.708 ( 11.546 5.054 -15.277) 19.805 5.939 ( 6.148 -4.591 -7.405) 10.663 6.025 ( -0.492 3.069 -5.349) 6.187 6.182 ( 3.409 8.143 -3.306) 9.427 6.469 ( -1.757 -3.519 0.028) 3.933 6.509 ( -1.532 8.998 0.461) 9.139 6.770 ( -5.646 -2.314 0.787) 6.152 6.835 ( -2.446 -3.339 5.198) 6.645 6.903 ( -3.827 5.968 12.153) 14.070 7.046 ( -2.457 -2.868 -2.093) 4.318 7.082 ( -1.023 3.036 0.767) 3.294 7.312 ( 8.428 -6.273 5.311) 11.772 7.431 ( -8.299 6.778 -0.309) 10.720 7.648 ( 3.543 -2.813 -0.197) 4.528 7.961 ( 5.971 -0.060 4.539) 7.501 8.108 ( 2.414 4.283 -0.270) 4.924 8.225 ( -0.193 -4.956 -2.441) 5.528 8.330 ( 1.390 2.450 -11.491) 11.832 8.647 ( -0.166 3.758 -3.975) 5.473 8.723 ( -9.265 0.685 3.073) 9.786 8.828 ( -5.714 -9.796 -0.293) 11.345 9.251 ( 0.330 5.453 1.313) 5.618 9.714 ( 5.782 -3.882 -4.721) 8.414 9.830 ( -0.741 4.891 4.790) 6.886 9.936 ( 1.990 -2.685 -0.392) 3.365 10.104 ( 2.173 -0.521 -3.962) 4.549 10.360 ( 4.382 0.150 -10.588) 11.460 10.801 ( 1.308 -0.443 -4.042) 4.271 11.398 ( -0.580 1.766 1.639) 2.478 11.949 ( -0.890 -2.226 -3.244) 4.034 12.450 ( 1.985 -2.727 -2.360) 4.117 12.895 ( -0.536 10.797 -2.069) 11.007 13.049 ( -0.378 3.891 -1.047) 4.047 13.338 ( 1.076 -6.952 1.913) 7.290 13.486 ( 2.371 -4.633 2.590) 5.814 13.588 ( -1.842 2.451 3.964) 5.011 13.908 ( -1.295 -7.331 0.512) 7.462 13.999 ( 9.071 0.092 -4.150) 9.976 14.261 ( -7.173 0.613 0.449) 7.213 14.598 ( 5.067 4.772 1.338) 7.088 14.738 ( -7.593 -0.423 6.072) 9.731 15.342 ( -2.128 0.347 1.753) 2.779 15.372 ( 0.030 -0.110 0.061) 0.129 15.653 ( 18.403 -0.498 -4.756) 19.014 16.201 ( -17.266 -1.423 3.864) 17.750 16.490 ( 1.971 -3.095 4.013) 5.438 17.047 ( 1.399 2.481 -4.097) 4.990 17.457 ( -0.884 -1.789 3.224) 3.792 17.684 ( -3.128 0.226 -0.091) 3.138 18.558 ( 0.778 -2.915 -2.412) 3.862 18.987 ( -1.517 0.054 2.447) 2.879 19.102 ( -2.366 4.083 -2.518) 5.349 19.229 ( 0.721 -2.568 -0.995) 2.847 19.368 ( 4.234 -0.173 -1.733) 4.579 19.661 ( -0.829 11.719 1.263) 11.816 19.762 ( -0.051 -0.222 -2.807) 2.816 20.107 ( -1.030 -9.638 0.182) 9.695 20.348 ( -1.676 -0.554 -1.395) 2.250 20.459 ( 0.295 1.326 -0.585) 1.479 20.613 ( 0.585 -5.982 0.195) 6.014 21.004 ( 4.287 8.779 0.797) 9.802 21.530 ( 1.657 -4.778 0.205) 5.061 21.794 ( -2.928 6.308 1.103) 7.041 22.007 ( -2.820 -4.023 2.702) 5.607 22.087 ( -1.091 -1.261 -0.907) 1.898 22.452 ( -1.033 -0.098 1.894) 2.160 22.527 ( 5.001 1.234 0.332) 5.161 22.681 ( -0.833 -0.343 -2.048) 2.237 22.885 ( 0.914 0.443 -2.682) 2.868 ======================= Grid point 102 (57/78) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.249 -1.250 1.275) 2.179 1.101 ( -4.544 -8.848 -8.546) 13.114 1.228 ( 6.385 1.629 -0.792) 6.637 1.279 ( -0.474 0.505 -0.397) 0.798 1.695 ( -2.188 2.139 2.253) 3.800 1.745 ( -0.543 -3.898 0.359) 3.952 1.845 ( -4.418 0.199 1.982) 4.846 1.940 ( 0.063 -1.823 2.660) 3.226 2.169 ( 2.608 -1.298 4.267) 5.167 2.366 ( -1.935 3.071 3.088) 4.766 2.708 ( 1.469 1.410 -0.588) 2.119 2.847 ( -3.537 -6.522 -0.576) 7.442 3.064 ( -6.092 5.760 10.003) 13.052 3.292 ( 3.074 2.026 0.433) 3.707 3.412 ( -2.442 -4.002 5.799) 7.457 3.657 ( 2.577 0.315 6.627) 7.117 3.743 ( 6.137 1.060 -0.628) 6.260 3.831 ( -4.710 -2.821 -1.019) 5.584 3.864 ( -8.798 0.673 4.093) 9.727 3.897 ( 0.623 -4.307 -0.964) 4.457 4.021 ( -6.317 -1.039 -1.742) 6.635 4.250 ( -4.407 -0.647 0.942) 4.553 4.321 ( 2.634 -2.202 1.493) 3.744 4.408 ( 5.084 -3.921 4.887) 8.069 4.600 ( 1.274 1.169 -2.579) 3.105 4.649 ( 1.478 6.500 -9.535) 11.634 4.827 ( 3.819 -0.646 0.900) 3.977 4.845 ( -1.169 -2.356 -0.487) 2.674 5.023 ( 1.544 -2.569 -0.982) 3.154 5.161 ( 3.968 -2.815 13.964) 14.787 5.229 ( 3.027 -1.772 -4.687) 5.854 5.477 ( 6.862 1.528 -6.272) 9.422 5.615 ( 0.116 1.642 6.438) 6.645 5.702 ( 5.942 -3.268 -10.319) 12.348 5.849 ( -7.070 5.653 -7.862) 11.989 5.983 ( 2.874 -0.170 -0.272) 2.892 6.147 ( 0.823 2.552 -9.001) 9.392 6.355 ( 4.373 6.221 -2.098) 7.889 6.401 ( -11.470 2.381 1.654) 11.831 6.753 ( -9.812 0.331 8.494) 12.982 6.804 ( -4.191 -2.277 3.652) 6.007 6.906 ( 3.725 -1.589 0.210) 4.055 7.019 ( 1.629 6.221 2.721) 6.983 7.085 ( 1.126 -3.794 1.555) 4.252 7.226 ( -4.777 3.279 0.445) 5.811 7.504 ( 7.027 1.546 0.325) 7.203 7.847 ( 12.603 -5.972 4.050) 14.523 7.980 ( -5.596 2.334 -5.651) 8.288 8.045 ( 1.151 -1.469 2.501) 3.120 8.245 ( -6.838 -0.099 -0.118) 6.840 8.290 ( 2.279 1.448 -4.697) 5.418 8.529 ( 0.644 1.609 -10.443) 10.586 8.715 ( -0.149 -5.032 4.433) 6.708 8.880 ( -4.166 -0.442 2.242) 4.751 9.223 ( -0.248 -1.373 0.417) 1.457 9.725 ( -1.591 5.984 1.533) 6.378 9.796 ( 3.860 -0.388 -4.326) 5.811 9.973 ( 0.173 -0.932 -1.545) 1.813 10.124 ( 0.704 0.079 1.383) 1.554 10.385 ( 5.073 -1.021 -11.737) 12.827 10.810 ( 1.432 -0.530 -4.022) 4.302 11.359 ( -0.985 1.854 1.288) 2.463 11.969 ( 0.543 -1.863 -4.117) 4.551 12.521 ( 1.272 -4.113 -1.697) 4.628 12.711 ( 0.422 8.724 -2.438) 9.068 12.991 ( 0.307 1.479 -1.846) 2.385 13.483 ( 2.482 -5.075 2.312) 6.104 13.548 ( -1.528 1.082 3.041) 3.571 13.592 ( 0.831 -2.664 3.081) 4.157 13.942 ( -9.611 -1.351 4.748) 10.805 14.073 ( 6.901 1.177 -3.751) 7.942 14.157 ( -0.415 2.788 -1.910) 3.405 14.615 ( 3.129 1.748 1.856) 4.036 14.687 ( -2.122 -0.593 -0.047) 2.204 15.321 ( -3.548 -0.862 1.533) 3.960 15.381 ( 1.586 -0.035 0.933) 1.840 15.856 ( 9.132 1.415 2.034) 9.462 16.046 ( -6.546 -1.191 -2.060) 6.965 16.580 ( -2.688 -5.137 5.377) 7.908 16.998 ( 1.429 2.664 -3.752) 4.818 17.507 ( -0.095 -2.511 1.894) 3.147 17.672 ( -1.594 -1.865 3.540) 4.307 18.632 ( 2.320 -4.556 -3.966) 6.470 18.887 ( -2.617 5.926 -1.816) 6.728 19.074 ( -1.040 -1.955 1.400) 2.620 19.284 ( -1.055 -3.579 0.423) 3.755 19.378 ( 2.808 6.869 2.533) 7.841 19.495 ( -0.123 2.697 -3.216) 4.199 19.786 ( 1.777 -1.598 -1.063) 2.616 20.207 ( -2.268 -3.951 -1.688) 4.858 20.332 ( -0.565 -0.889 -1.182) 1.584 20.438 ( -0.071 1.163 -0.412) 1.236 20.702 ( -2.387 -4.729 -1.349) 5.466 20.943 ( 8.122 7.265 1.327) 10.977 21.623 ( -1.706 -5.059 -1.173) 5.467 21.642 ( -1.997 6.386 2.930) 7.305 22.059 ( -1.013 -3.243 1.631) 3.769 22.095 ( -0.196 -0.800 -0.460) 0.944 22.431 ( -1.411 0.977 0.614) 1.823 22.552 ( 1.030 1.337 0.581) 1.785 22.692 ( 2.481 -0.724 -1.330) 2.906 22.869 ( -0.136 0.582 -2.526) 2.596 ======================= Grid point 103 (58/78) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.136 0.934 -1.192) 1.893 1.088 ( 1.368 2.303 -7.606) 8.064 1.263 ( 0.329 0.763 0.064) 0.833 1.385 ( 0.416 -6.364 -3.616) 7.331 1.659 ( -2.658 -1.527 2.634) 4.042 1.781 ( 7.025 -0.626 -0.047) 7.053 1.864 ( -0.053 -2.957 1.234) 3.204 1.970 ( 0.064 0.393 1.527) 1.578 2.227 ( -3.431 1.467 -2.879) 4.713 2.314 ( 0.552 -0.405 13.203) 13.221 2.703 ( 0.147 0.644 3.980) 4.035 2.800 ( -5.594 5.600 -3.062) 8.487 3.057 ( 6.608 -2.830 3.641) 8.058 3.269 ( 0.503 3.981 0.603) 4.057 3.437 ( -3.178 1.189 5.604) 6.551 3.619 ( -1.141 7.048 7.931) 10.672 3.693 ( -0.170 2.900 11.037) 11.413 3.781 ( -3.124 -0.925 -3.521) 4.797 3.899 ( -2.081 -4.588 2.773) 5.750 4.036 ( -2.955 -6.206 -6.919) 9.753 4.081 ( 3.137 -3.881 0.816) 5.056 4.128 ( -1.702 0.465 -3.612) 4.020 4.377 ( -2.423 -6.301 -1.700) 6.961 4.480 ( 6.139 9.157 -0.447) 11.033 4.548 ( -0.331 -2.099 -3.625) 4.202 4.658 ( -3.556 -5.969 1.603) 7.131 4.797 ( 1.979 7.689 -1.532) 8.086 4.887 ( -1.545 -6.232 0.674) 6.456 5.005 ( -4.332 2.194 -1.377) 5.048 5.137 ( -0.694 6.539 6.693) 9.382 5.380 ( 2.259 3.234 -4.676) 6.117 5.427 ( 5.398 4.097 -3.676) 7.709 5.579 ( -2.751 2.061 -5.861) 6.795 5.722 ( 1.881 0.402 6.409) 6.691 5.792 ( -1.280 -1.762 -3.309) 3.962 6.049 ( 4.423 -4.593 -7.016) 9.480 6.097 ( -9.959 -6.407 -6.079) 13.311 6.253 ( -1.885 -3.579 3.305) 5.224 6.406 ( 8.409 0.817 0.072) 8.449 6.632 ( -3.094 5.495 7.823) 10.048 6.810 ( -1.413 -1.314 4.324) 4.735 6.826 ( 3.222 10.828 -0.350) 11.302 7.075 ( 4.257 0.338 3.713) 5.659 7.137 ( -3.253 -3.871 -0.297) 5.065 7.287 ( 2.330 -5.522 1.804) 6.259 7.475 ( 1.870 1.728 1.004) 2.737 7.796 ( -13.792 2.809 -1.346) 14.139 8.017 ( 1.484 -0.394 0.955) 1.809 8.110 ( -6.236 -2.665 4.923) 8.380 8.204 ( 2.376 2.202 -8.200) 8.816 8.351 ( 12.921 -9.256 -0.932) 15.921 8.518 ( 4.404 2.183 -11.035) 12.080 8.745 ( -4.626 4.724 3.117) 7.310 8.909 ( 3.301 -8.455 1.643) 9.224 9.197 ( -1.755 5.225 0.437) 5.529 9.667 ( -0.525 -0.835 1.029) 1.425 9.789 ( 0.857 2.353 -1.563) 2.952 9.966 ( 0.239 1.561 -1.301) 2.046 10.140 ( -0.776 -1.308 1.308) 2.006 10.385 ( 2.896 1.029 -12.179) 12.561 10.816 ( 1.210 -0.168 -4.266) 4.437 11.341 ( -0.036 -0.060 2.079) 2.080 11.980 ( 2.326 0.524 -4.705) 5.275 12.548 ( 0.095 4.420 -2.710) 5.186 12.664 ( 2.049 -5.831 -0.310) 6.188 12.995 ( 0.963 -1.872 -2.234) 3.070 13.502 ( -4.306 0.247 2.160) 4.824 13.589 ( 2.113 -0.539 1.240) 2.508 13.600 ( -2.603 1.890 2.337) 3.976 13.827 ( -7.785 1.459 6.746) 10.404 14.036 ( -0.241 6.005 0.338) 6.020 14.188 ( 11.173 2.680 -3.030) 11.882 14.574 ( -6.975 -1.995 1.729) 7.457 14.763 ( 6.895 -2.268 -1.728) 7.461 15.293 ( -4.901 -1.604 2.071) 5.557 15.408 ( 1.283 0.031 0.332) 1.326 15.751 ( -14.822 1.576 4.531) 15.579 16.144 ( 16.605 1.987 -5.028) 17.463 16.615 ( -6.770 -2.617 4.926) 8.772 16.987 ( 2.486 -0.720 -3.679) 4.498 17.526 ( -1.937 -0.360 1.053) 2.234 17.734 ( -0.532 -4.726 1.311) 4.933 18.651 ( 0.631 3.959 -5.941) 7.167 18.846 ( 2.084 -3.700 1.120) 4.392 19.104 ( 0.395 -1.692 -0.427) 1.789 19.222 ( 0.026 8.047 3.916) 8.949 19.369 ( -1.173 -3.157 0.165) 3.372 19.523 ( 0.384 -5.641 -2.521) 6.190 19.831 ( 1.182 -1.198 -1.629) 2.342 20.177 ( -0.940 2.271 -2.434) 3.459 20.356 ( 2.411 0.170 -1.137) 2.672 20.420 ( -0.571 0.012 0.721) 0.920 20.678 ( -0.074 4.563 -1.306) 4.747 20.976 ( -0.226 -3.949 -0.012) 3.955 21.517 ( -0.555 5.817 3.293) 6.707 21.713 ( 0.428 -4.802 0.646) 4.864 22.073 ( -3.150 -0.674 0.472) 3.256 22.116 ( 3.146 0.180 -1.477) 3.481 22.409 ( 0.296 0.705 1.124) 1.359 22.517 ( -3.323 1.152 2.122) 4.108 22.738 ( 2.963 -0.731 -3.028) 4.299 22.848 ( -0.145 0.280 -1.261) 1.300 ======================= Grid point 104 (59/78) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -1.914 0.256 -0.141) 1.936 1.042 ( 7.903 4.120 -10.208) 13.551 1.267 ( 1.081 0.224 0.538) 1.228 1.425 ( -2.196 -5.403 -6.123) 8.456 1.626 ( -3.024 2.494 2.538) 4.670 1.843 ( -1.440 -0.617 -0.233) 1.584 1.926 ( -6.031 0.405 2.259) 6.453 2.020 ( 10.279 -3.061 -0.792) 10.755 2.132 ( -3.558 0.489 1.115) 3.760 2.407 ( -1.984 -1.152 5.964) 6.390 2.500 ( -2.669 8.405 3.678) 9.555 2.871 ( 3.081 -4.894 5.648) 8.084 3.147 ( 1.775 7.206 1.964) 7.677 3.214 ( 2.046 -0.481 3.497) 4.080 3.350 ( 0.629 5.441 3.196) 6.342 3.574 ( 0.081 2.528 3.156) 4.044 3.728 ( -0.904 -0.566 -4.127) 4.262 3.805 ( 2.033 -5.670 4.091) 7.282 3.912 ( -3.547 -2.077 7.543) 8.590 3.958 ( -7.886 -0.993 -8.301) 11.492 4.093 ( -1.600 -2.858 -1.729) 3.704 4.202 ( 7.312 2.405 2.080) 7.973 4.388 ( -4.438 6.364 -2.094) 8.036 4.508 ( 1.566 -0.648 -3.939) 4.289 4.546 ( -2.945 1.059 9.721) 10.212 4.628 ( -3.842 6.785 -1.743) 7.990 4.701 ( -6.309 -10.967 3.306) 13.077 4.832 ( -4.428 4.751 -4.557) 7.933 4.983 ( -0.434 -4.151 -1.133) 4.325 5.124 ( 1.547 -1.722 4.319) 4.901 5.237 ( 2.349 5.463 -0.029) 5.946 5.361 ( -0.922 5.363 -5.407) 7.671 5.562 ( 5.935 1.380 -13.022) 14.377 5.699 ( -8.825 0.850 -2.864) 9.317 5.789 ( 5.312 4.204 2.938) 7.384 6.050 ( -4.245 -7.804 -0.393) 8.893 6.195 ( 3.636 -6.970 -10.434) 13.064 6.408 ( 5.090 3.975 2.546) 6.942 6.487 ( 0.567 -9.674 6.322) 11.570 6.629 ( 3.493 1.295 7.984) 8.810 6.748 ( 6.188 2.904 2.695) 7.348 6.895 ( 6.811 1.303 0.264) 6.940 7.046 ( 4.541 6.522 7.875) 11.188 7.127 ( -7.215 -3.718 -3.470) 8.827 7.294 ( -2.795 4.102 -3.707) 6.196 7.618 ( -3.852 -5.371 0.884) 6.669 7.644 ( -5.671 -8.763 9.168) 13.893 7.926 ( -5.200 6.161 -0.797) 8.101 8.091 ( -3.127 -2.629 0.198) 4.090 8.217 ( 1.754 1.311 -0.648) 2.284 8.407 ( 1.139 3.604 -14.432) 14.919 8.669 ( 7.108 3.334 2.362) 8.199 8.676 ( 2.603 -8.972 -2.948) 9.796 9.007 ( 0.987 8.553 -4.573) 9.749 9.150 ( 1.463 -9.191 4.791) 10.467 9.648 ( 1.089 4.955 -2.401) 5.613 9.800 ( -1.042 -3.580 5.047) 6.275 9.914 ( -0.352 3.783 0.466) 3.828 10.140 ( -1.640 -0.555 -3.618) 4.011 10.352 ( 3.467 0.312 -11.178) 11.707 10.810 ( 0.967 0.147 -4.424) 4.531 11.372 ( 0.795 -1.194 2.834) 3.177 11.970 ( 2.110 1.518 -4.318) 5.040 12.453 ( -0.585 3.663 -2.373) 4.403 12.851 ( 4.398 -9.538 0.330) 10.508 13.046 ( 0.980 -3.056 -1.347) 3.481 13.414 ( -6.606 2.867 -0.949) 7.263 13.502 ( -4.103 4.309 1.107) 6.052 13.592 ( -1.858 -0.404 5.196) 5.533 13.806 ( 2.064 0.237 2.952) 3.610 13.911 ( 2.186 8.912 1.084) 9.240 14.276 ( 6.615 0.618 -0.544) 6.666 14.559 ( -3.342 -3.145 2.164) 5.073 14.862 ( 0.532 -2.234 1.434) 2.708 15.281 ( -1.675 -1.349 2.530) 3.320 15.407 ( -1.518 -0.006 -0.283) 1.544 15.569 ( -7.895 2.134 -0.797) 8.217 16.283 ( 12.711 2.032 -1.705) 12.985 16.536 ( -10.827 0.348 3.844) 11.494 17.035 ( 2.514 -2.114 -3.767) 4.998 17.492 ( -3.162 0.639 1.446) 3.535 17.783 ( -2.429 -3.045 -3.901) 5.513 18.562 ( 0.657 3.437 -2.935) 4.567 18.952 ( 1.937 -1.861 2.701) 3.810 19.137 ( 2.637 -0.869 -2.730) 3.894 19.155 ( 2.184 2.093 2.168) 3.722 19.380 ( -2.367 -1.160 -2.176) 3.418 19.664 ( -0.305 -10.421 0.353) 10.431 19.824 ( -1.408 -0.424 -3.900) 4.168 20.096 ( 1.264 7.822 -0.108) 7.924 20.364 ( 1.924 0.789 -2.144) 2.987 20.441 ( 1.104 -1.284 1.699) 2.399 20.570 ( 0.189 6.405 0.006) 6.408 21.050 ( -5.190 -8.390 -0.902) 9.907 21.447 ( 3.096 6.167 3.380) 7.683 21.805 ( 0.315 -4.436 1.825) 4.807 22.033 ( -1.977 1.314 1.126) 2.627 22.130 ( 1.679 0.976 -3.238) 3.775 22.421 ( 1.861 0.936 2.198) 3.028 22.471 ( -3.376 -0.539 2.968) 4.527 22.741 ( -0.559 0.046 -4.035) 4.073 22.859 ( 1.986 -0.383 -0.953) 2.236 ======================= Grid point 106 (60/78) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -11.072 -0.000 -3.830) 11.716 0.997 ( -0.217 -0.000 -6.781) 6.785 1.266 ( -1.342 -0.000 -0.668) 1.499 1.399 ( -2.696 -0.000 -1.983) 3.347 1.490 ( 3.211 0.000 3.577) 4.807 1.763 ( -2.718 -0.000 6.375) 6.931 1.808 ( -3.296 -0.000 7.203) 7.921 1.952 ( -3.867 -0.000 -0.075) 3.868 2.231 ( 3.182 0.000 -2.865) 4.281 2.276 ( 0.525 0.000 5.121) 5.148 2.684 ( -3.253 -0.000 -3.700) 4.926 2.883 ( 1.471 0.000 1.115) 1.846 3.056 ( -6.474 -0.000 20.819) 21.802 3.295 ( -2.525 -0.000 5.281) 5.854 3.322 ( -9.428 -0.000 -10.136) 13.843 3.433 ( -7.289 -0.000 -3.113) 7.926 3.787 ( 4.835 0.000 -4.792) 6.808 3.843 ( 6.277 0.000 9.260) 11.187 3.882 ( -3.816 -0.000 2.853) 4.765 4.013 ( -4.146 -0.000 -0.585) 4.187 4.021 ( 4.731 0.000 1.154) 4.870 4.194 ( 15.718 0.000 4.365) 16.312 4.253 ( -1.478 -0.000 8.013) 8.148 4.323 ( -6.872 -0.000 -0.875) 6.928 4.637 ( -7.131 -0.000 2.545) 7.571 4.709 ( 6.376 0.000 13.065) 14.537 4.729 ( 2.437 0.000 -4.838) 5.417 4.928 ( 6.059 0.000 2.456) 6.538 4.949 ( 1.229 0.000 -12.144) 12.206 5.088 ( 2.030 0.000 -0.710) 2.150 5.182 ( 3.921 0.000 -2.472) 4.635 5.467 ( 3.387 0.000 2.065) 3.967 5.565 ( 5.221 0.000 -1.044) 5.324 5.804 ( -3.121 -0.000 -16.318) 16.614 5.947 ( 13.648 0.000 -12.783) 18.699 6.029 ( 0.115 0.000 1.849) 1.852 6.280 ( -0.688 -0.000 -1.492) 1.643 6.439 ( 3.512 0.000 -2.742) 4.456 6.571 ( -8.749 -0.000 -5.039) 10.097 6.635 ( -4.030 -0.000 2.089) 4.539 6.694 ( -7.605 -0.000 -2.140) 7.900 6.958 ( -2.445 -0.000 -1.006) 2.644 7.046 ( -2.843 -0.000 15.054) 15.320 7.241 ( 9.230 0.000 6.071) 11.048 7.259 ( 2.040 0.000 0.131) 2.044 7.433 ( -5.869 -0.000 0.921) 5.940 7.612 ( 2.872 0.000 9.319) 9.752 8.089 ( 4.558 0.000 -6.518) 7.954 8.117 ( 1.826 0.000 -1.839) 2.592 8.266 ( 5.597 0.000 0.106) 5.598 8.393 ( 5.366 0.000 -6.607) 8.511 8.500 ( -20.027 -0.000 8.263) 21.665 8.622 ( -3.748 -0.000 -4.497) 5.854 8.707 ( 0.826 0.000 -4.977) 5.045 9.236 ( -7.760 -0.000 0.421) 7.772 9.741 ( 6.008 0.000 -5.369) 8.057 9.887 ( -1.279 -0.000 4.018) 4.216 9.975 ( 5.453 0.000 -0.049) 5.453 10.113 ( 3.345 0.000 -3.895) 5.134 10.375 ( 4.779 0.000 -10.309) 11.363 10.798 ( 1.622 0.000 -3.760) 4.095 11.406 ( -1.524 -0.000 0.647) 1.655 11.894 ( -1.654 -0.000 -2.451) 2.957 12.454 ( 3.049 0.000 -2.069) 3.685 12.932 ( -6.409 -0.000 -3.356) 7.235 13.069 ( -1.263 -0.000 -1.366) 1.860 13.361 ( 9.146 0.000 4.160) 10.047 13.504 ( 5.083 0.000 2.289) 5.575 13.610 ( -2.310 -0.000 2.872) 3.685 13.799 ( -2.538 -0.000 -1.223) 2.818 14.056 ( -2.441 -0.000 0.973) 2.628 14.239 ( 6.795 0.000 -4.720) 8.273 14.667 ( -6.534 -0.000 5.064) 8.266 14.718 ( 5.793 0.000 -1.457) 5.974 15.330 ( -1.722 -0.000 4.506) 4.824 15.345 ( -2.655 -0.000 0.067) 2.656 15.885 ( 6.088 0.000 1.534) 6.278 16.007 ( 0.203 0.000 -2.826) 2.833 16.474 ( -3.209 -0.000 6.087) 6.881 17.071 ( 1.401 0.000 -4.284) 4.507 17.457 ( 0.558 0.000 4.654) 4.687 17.649 ( -2.842 -0.000 2.773) 3.971 18.525 ( 0.011 0.000 -2.137) 2.137 18.967 ( -2.756 -0.000 3.921) 4.793 19.123 ( -4.557 -0.000 -0.763) 4.620 19.144 ( -0.893 -0.000 -5.184) 5.260 19.444 ( 7.224 0.000 -2.918) 7.791 19.746 ( 0.747 0.000 -0.548) 0.926 19.860 ( -0.370 -0.000 2.646) 2.672 19.913 ( -2.483 -0.000 -0.752) 2.594 20.307 ( -2.605 -0.000 -1.020) 2.797 20.485 ( 1.171 0.000 -0.521) 1.282 20.569 ( 0.808 0.000 -1.156) 1.410 21.165 ( 6.600 0.000 2.066) 6.916 21.481 ( -1.127 -0.000 -3.583) 3.756 21.865 ( -5.964 -0.000 3.853) 7.101 21.876 ( -1.168 -0.000 1.524) 1.920 22.080 ( 0.838 0.000 -0.085) 0.842 22.438 ( -2.117 -0.000 1.007) 2.344 22.614 ( 5.797 0.000 -0.542) 5.822 22.668 ( 0.344 0.000 -0.348) 0.490 22.879 ( -0.306 -0.000 -3.630) 3.643 ======================= Grid point 107 (61/78) ======================= q-point: (-0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -3.964 -13.843 0.491) 14.408 0.972 ( 0.256 0.425 -4.654) 4.680 1.252 ( -1.307 -1.096 -1.165) 2.065 1.341 ( 2.955 2.768 1.962) 4.499 1.642 ( -1.735 -3.034 2.961) 4.581 1.697 ( -1.083 -0.734 1.650) 2.106 1.809 ( -3.014 -2.356 3.733) 5.345 1.978 ( 4.732 0.001 3.749) 6.037 2.205 ( 1.732 1.687 0.592) 2.489 2.371 ( -1.103 -2.069 4.360) 4.951 2.642 ( -5.952 -4.912 -2.948) 8.261 2.807 ( 0.063 5.478 -0.424) 5.495 3.119 ( -3.670 -1.451 18.634) 19.047 3.208 ( -6.997 -3.895 -9.660) 12.547 3.272 ( -5.619 -4.624 4.600) 8.609 3.475 ( -5.544 -11.979 2.891) 13.513 3.818 ( -4.674 2.916 4.469) 7.094 3.830 ( -4.023 2.254 0.297) 4.621 3.884 ( 4.099 -1.674 0.630) 4.472 3.919 ( 5.826 5.066 -0.482) 7.736 4.069 ( 3.233 1.619 1.924) 4.096 4.224 ( 0.375 5.592 0.994) 5.692 4.268 ( -2.172 1.316 3.227) 4.107 4.476 ( 8.944 -2.912 8.431) 12.631 4.575 ( -2.034 -1.574 -5.291) 5.883 4.708 ( -0.287 -1.459 -5.763) 5.952 4.894 ( 5.873 4.126 1.445) 7.321 4.909 ( 5.940 3.029 -7.969) 10.390 5.025 ( 7.034 -3.399 10.216) 12.861 5.154 ( 0.165 -4.311 5.330) 6.857 5.255 ( 7.126 -2.204 -3.925) 8.428 5.491 ( 1.553 -2.576 -0.144) 3.012 5.636 ( 0.426 -1.505 -10.530) 10.646 5.707 ( -0.247 -1.824 -3.084) 3.592 5.875 ( -2.071 11.343 -10.104) 15.331 6.050 ( 1.578 4.747 2.108) 5.428 6.157 ( -6.248 5.350 -6.830) 10.692 6.355 ( -3.135 3.735 -1.362) 5.063 6.514 ( 1.385 -0.268 -0.416) 1.470 6.591 ( 0.687 0.637 -0.118) 0.944 6.762 ( -1.878 -11.603 -2.444) 12.005 6.912 ( -2.770 3.033 2.200) 4.660 7.024 ( 0.019 1.466 11.464) 11.557 7.200 ( 4.807 6.653 0.297) 8.213 7.254 ( -4.493 5.384 -2.051) 7.307 7.606 ( 6.909 -9.123 6.142) 12.988 7.735 ( -0.207 -4.000 9.889) 10.669 8.011 ( -2.813 2.561 -6.913) 7.891 8.088 ( -7.622 8.973 -4.964) 12.777 8.186 ( 2.668 -0.418 -0.146) 2.705 8.392 ( 5.660 -1.973 -0.255) 6.000 8.442 ( -2.255 0.688 -4.625) 5.192 8.697 ( 1.501 -5.205 3.785) 6.608 8.731 ( -1.701 -7.017 -3.058) 7.841 9.122 ( -8.572 -0.566 -0.840) 8.632 9.791 ( 3.027 -0.202 -5.940) 6.669 9.833 ( -1.545 3.472 1.264) 4.005 10.019 ( 4.147 2.181 -0.098) 4.686 10.144 ( 1.252 -0.014 0.516) 1.355 10.397 ( 5.858 0.078 -11.215) 12.653 10.807 ( 1.798 -0.233 -3.685) 4.107 11.371 ( -1.903 1.195 0.290) 2.266 11.900 ( -0.213 -3.445 -3.198) 4.705 12.491 ( 2.105 -1.213 -1.552) 2.883 12.798 ( -4.266 4.291 -3.686) 7.085 13.017 ( -0.229 3.042 -1.619) 3.454 13.503 ( 5.852 -0.801 4.839) 7.635 13.556 ( -0.554 0.723 1.739) 1.963 13.625 ( 5.278 -0.503 0.993) 5.394 13.811 ( -4.797 -4.493 1.508) 6.743 14.001 ( -6.027 -1.790 4.063) 7.486 14.339 ( 14.604 2.983 -9.013) 17.418 14.572 ( -9.606 1.391 3.183) 10.215 14.762 ( 5.582 1.131 -2.841) 6.365 15.278 ( -5.130 1.412 4.281) 6.829 15.379 ( 0.239 -2.361 3.492) 4.222 15.753 ( -13.705 -0.894 1.338) 13.799 16.216 ( 20.986 1.532 -5.796) 21.826 16.476 ( -4.828 -3.010 7.818) 9.669 17.044 ( 0.631 2.250 -3.758) 4.425 17.502 ( 1.594 -0.801 3.958) 4.341 17.645 ( -1.640 -0.733 5.734) 6.009 18.554 ( 0.697 -4.408 -2.961) 5.356 18.924 ( -3.373 3.322 0.549) 4.766 19.030 ( -2.296 0.233 0.614) 2.388 19.180 ( -2.153 -5.394 -2.112) 6.180 19.498 ( 4.990 1.424 -3.486) 6.251 19.646 ( -0.607 13.636 2.075) 13.806 19.768 ( 0.593 -1.615 -0.396) 1.766 20.079 ( 0.284 -9.350 0.360) 9.361 20.286 ( -1.487 -1.627 -1.010) 2.424 20.477 ( 1.376 2.093 -0.860) 2.649 20.600 ( -0.809 -3.187 -1.166) 3.489 21.165 ( 3.927 8.360 -0.550) 9.253 21.485 ( -3.901 -5.952 -2.228) 7.457 21.749 ( 0.150 5.771 3.288) 6.643 21.954 ( -2.297 -5.566 2.724) 6.608 22.100 ( 1.604 -0.644 -0.431) 1.781 22.411 ( -2.414 -0.044 0.590) 2.486 22.624 ( 1.904 3.714 0.354) 4.188 22.714 ( 3.971 -1.324 -1.393) 4.411 22.849 ( -1.695 -0.027 -3.344) 3.749 ======================= Grid point 108 (62/78) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -2.381 -1.769 1.369) 3.267 1.020 ( 3.047 -7.111 -2.511) 8.134 1.260 ( -0.450 -1.120 -0.770) 1.432 1.327 ( -2.180 1.778 -3.456) 4.456 1.613 ( 0.256 -2.779 2.363) 3.657 1.818 ( -1.150 -0.443 1.710) 2.108 1.831 ( 4.923 -3.537 1.019) 6.147 2.041 ( 4.763 1.607 1.474) 5.239 2.193 ( -3.105 0.979 -3.301) 4.636 2.335 ( -4.193 0.659 7.107) 8.278 2.658 ( -6.373 -4.638 2.283) 8.206 2.821 ( 6.576 0.233 1.850) 6.836 3.149 ( 1.841 -0.864 -2.408) 3.152 3.183 ( -4.169 -3.390 5.926) 8.000 3.341 ( -8.033 -7.080 8.399) 13.609 3.603 ( -8.162 -4.731 3.112) 9.934 3.704 ( -1.464 -2.585 1.984) 3.572 3.799 ( -2.023 -0.761 1.922) 2.892 3.924 ( 6.581 4.374 3.628) 8.695 4.009 ( 1.073 -1.464 4.227) 4.600 4.107 ( 1.090 0.409 -1.625) 1.999 4.149 ( 12.201 5.240 -0.622) 13.294 4.171 ( -9.524 -1.415 1.884) 9.811 4.523 ( -0.947 1.906 -3.939) 4.477 4.614 ( 4.196 0.986 3.692) 5.675 4.723 ( 4.522 1.867 -8.123) 9.482 4.846 ( 1.750 3.514 2.452) 4.629 4.879 ( 1.115 2.410 -6.690) 7.198 5.050 ( -3.915 7.538 2.372) 8.819 5.220 ( -1.725 -0.357 3.131) 3.593 5.429 ( 3.778 -5.927 0.729) 7.067 5.482 ( -9.565 5.275 -1.085) 10.977 5.563 ( 0.922 6.328 -15.186) 16.478 5.733 ( 9.712 -7.751 3.779) 12.988 5.785 ( 3.537 -0.813 0.311) 3.642 5.908 ( -7.745 4.859 -4.408) 10.150 6.004 ( -1.496 0.243 -2.817) 3.199 6.281 ( 2.370 4.189 -1.824) 5.147 6.541 ( 6.603 1.254 -0.151) 6.723 6.635 ( -1.099 -1.990 5.033) 5.523 6.870 ( 1.834 2.123 8.660) 9.103 6.928 ( -3.385 -8.060 -0.438) 8.753 7.069 ( -0.725 0.008 2.101) 2.222 7.113 ( 1.018 2.058 -1.827) 2.934 7.196 ( 2.629 -0.973 3.652) 4.603 7.611 ( -3.697 8.426 -1.831) 9.382 7.642 ( -11.381 4.749 -1.551) 12.430 7.974 ( -2.890 -1.572 0.889) 3.408 8.072 ( 4.134 -3.868 -1.594) 5.882 8.205 ( 3.770 -1.746 -3.822) 5.645 8.414 ( 3.372 0.364 -3.469) 4.851 8.560 ( 11.062 -4.079 -4.158) 12.501 8.740 ( -7.671 2.352 2.997) 8.565 8.798 ( 0.170 -6.027 3.976) 7.222 9.103 ( -5.235 -7.514 -0.966) 9.209 9.709 ( -0.181 5.092 1.055) 5.203 9.830 ( 1.129 -0.190 -5.929) 6.039 10.018 ( 2.657 2.668 0.444) 3.791 10.141 ( -0.807 1.256 2.041) 2.528 10.399 ( 4.281 1.587 -12.200) 13.027 10.814 ( 1.609 0.061 -3.929) 4.247 11.341 ( -0.991 -0.012 1.156) 1.522 11.958 ( 1.508 -3.417 -4.305) 5.700 12.546 ( 1.628 -3.618 -1.107) 4.119 12.661 ( -2.060 4.877 -3.405) 6.294 12.975 ( 0.390 0.602 -2.282) 2.392 13.511 ( -1.302 2.679 4.606) 5.485 13.603 ( 0.779 -0.821 1.886) 2.200 13.646 ( 0.550 2.564 0.991) 2.804 13.793 ( -1.898 0.496 2.274) 3.003 14.067 ( 1.795 -4.525 3.924) 6.252 14.358 ( 1.812 5.031 -5.543) 7.702 14.472 ( -2.411 -0.537 0.613) 2.545 14.803 ( 2.545 -0.086 -0.607) 2.618 15.226 ( -3.413 -0.609 4.883) 5.989 15.415 ( -0.618 -0.340 1.278) 1.460 15.627 ( -6.045 0.582 -2.520) 6.575 16.375 ( 9.828 0.441 -2.939) 10.268 16.501 ( -3.080 -0.355 7.370) 7.996 17.000 ( 0.652 1.145 -3.546) 3.783 17.532 ( 0.623 1.205 2.361) 2.723 17.676 ( -1.017 -1.919 4.557) 5.048 18.644 ( 1.912 -3.850 -5.799) 7.219 18.831 ( -0.717 1.125 0.575) 1.453 19.043 ( -1.573 -2.855 1.624) 3.641 19.251 ( -1.815 -6.057 0.943) 6.393 19.427 ( -1.462 10.321 1.964) 10.607 19.505 ( 3.674 2.490 -4.135) 6.066 19.799 ( -0.612 -1.687 -1.325) 2.231 20.194 ( 3.093 -1.375 -0.095) 3.387 20.338 ( 1.301 -4.567 -0.989) 4.850 20.451 ( 1.231 2.305 0.025) 2.614 20.635 ( -2.576 -4.468 -0.447) 5.176 21.008 ( -2.820 8.570 -3.097) 9.539 21.549 ( -0.915 -4.097 2.498) 4.885 21.702 ( 2.126 2.668 0.212) 3.418 22.013 ( -2.012 -2.887 3.258) 4.796 22.138 ( 2.244 -0.886 -1.378) 2.778 22.395 ( -1.435 -1.011 1.207) 2.130 22.565 ( 0.321 4.777 0.838) 4.861 22.753 ( 1.453 0.519 -4.372) 4.636 22.830 ( -0.240 -1.328 -0.532) 1.451 ======================= Grid point 109 (63/78) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.953 0.439 2.439) 2.655 1.141 ( 4.632 -0.356 -4.150) 6.229 1.239 ( -0.997 -2.060 -6.476) 6.869 1.295 ( -0.952 -1.666 -1.647) 2.529 1.659 ( -0.225 0.532 4.978) 5.011 1.811 ( -1.727 -0.291 -1.977) 2.641 1.890 ( -2.274 0.624 3.021) 3.832 2.051 ( -2.781 2.092 -2.203) 4.119 2.122 ( 1.062 -1.014 0.434) 1.531 2.364 ( -1.147 -3.360 3.330) 4.868 2.627 ( 1.219 3.327 4.128) 5.440 2.876 ( -0.647 1.987 4.422) 4.891 3.149 ( -5.984 -3.007 3.152) 7.402 3.264 ( 1.162 -1.580 4.612) 5.012 3.376 ( 0.676 -1.852 -0.262) 1.989 3.584 ( -0.570 -1.812 -1.115) 2.203 3.695 ( -3.058 1.956 4.086) 5.466 3.817 ( -1.161 -0.943 4.878) 5.102 3.939 ( -0.718 5.180 3.249) 6.156 3.996 ( 5.339 7.962 6.026) 11.323 4.084 ( 8.772 -0.541 -0.355) 8.795 4.143 ( -7.232 -6.320 2.161) 9.844 4.385 ( -11.124 2.393 -6.484) 13.096 4.407 ( 2.607 -10.834 -3.297) 11.621 4.617 ( 1.266 2.704 -0.163) 2.990 4.671 ( 3.683 12.244 2.422) 13.013 4.735 ( 2.699 4.576 -4.658) 7.066 4.828 ( -2.658 0.875 -3.420) 4.419 4.931 ( -0.099 -0.357 11.539) 11.545 5.153 ( -4.551 2.765 1.746) 5.604 5.339 ( -2.314 2.983 -4.801) 6.107 5.407 ( 1.731 4.397 -12.782) 13.628 5.550 ( 0.743 -0.486 3.053) 3.179 5.669 ( -0.178 4.029 -6.626) 7.757 5.898 ( -0.042 -5.106 0.640) 5.146 5.970 ( 11.168 0.855 0.101) 11.201 6.039 ( -0.504 -7.140 -8.489) 11.104 6.336 ( 3.498 -7.015 -0.910) 7.891 6.558 ( -0.370 3.168 2.538) 4.077 6.706 ( 3.603 -1.749 8.851) 9.715 6.878 ( -3.723 1.518 10.071) 10.844 6.925 ( -0.619 3.150 -0.587) 3.264 7.036 ( -1.914 -1.765 -1.006) 2.791 7.203 ( 3.027 -2.800 2.662) 4.908 7.253 ( -7.912 0.516 -0.213) 7.931 7.470 ( -1.171 -2.028 -5.936) 6.381 7.497 ( 2.533 -1.113 1.846) 3.326 7.962 ( -0.340 0.844 2.323) 2.495 8.076 ( -0.044 2.610 -1.362) 2.945 8.268 ( 3.862 -0.174 -4.353) 5.822 8.433 ( -2.044 3.858 -8.946) 9.955 8.581 ( -0.087 -1.716 -0.266) 1.739 8.739 ( 2.155 -1.931 -0.014) 2.894 8.953 ( -5.858 -9.077 6.839) 12.786 9.121 ( 3.927 1.327 -2.550) 4.866 9.702 ( 1.108 -1.974 3.340) 4.034 9.792 ( 0.722 2.271 -4.573) 5.157 9.995 ( 0.600 3.816 0.860) 3.957 10.109 ( -1.076 0.463 -0.421) 1.245 10.364 ( 4.421 1.637 -12.486) 13.347 10.811 ( 1.324 0.444 -4.111) 4.342 11.360 ( -0.180 -1.836 1.968) 2.697 11.989 ( 1.234 0.061 -4.473) 4.640 12.522 ( 0.056 5.451 -2.704) 6.085 12.699 ( 1.344 -10.022 -1.066) 10.168 12.990 ( 0.598 -2.698 -2.140) 3.495 13.450 ( -1.250 4.955 2.879) 5.866 13.556 ( -2.041 4.298 3.163) 5.713 13.593 ( -2.681 2.175 3.582) 4.975 13.853 ( 7.303 -2.396 -2.691) 8.143 14.080 ( -1.315 6.779 3.297) 7.652 14.314 ( -1.897 -2.100 -1.977) 3.452 14.477 ( 0.526 -2.090 0.980) 2.367 14.803 ( -5.370 -0.575 4.867) 7.270 15.280 ( 4.435 -2.579 1.699) 5.405 15.391 ( -2.141 0.809 0.413) 2.326 15.565 ( 3.834 2.245 -5.427) 7.013 16.391 ( -12.319 -1.098 4.640) 13.209 16.484 ( 7.048 5.080 2.081) 8.933 17.005 ( 1.140 -2.009 -3.768) 4.419 17.500 ( -0.993 2.715 2.175) 3.618 17.703 ( -2.018 -1.607 0.654) 2.662 18.619 ( 0.986 3.720 -4.004) 5.553 18.921 ( 2.276 -6.509 -1.275) 7.012 19.080 ( -1.285 -2.511 0.534) 2.871 19.266 ( 0.801 6.294 2.976) 7.008 19.344 ( -1.190 -3.094 1.612) 3.686 19.517 ( 0.861 -4.177 -3.555) 5.552 19.790 ( -0.956 0.109 -3.122) 3.266 20.214 ( 2.034 3.565 0.560) 4.143 20.377 ( -0.042 0.243 -2.967) 2.977 20.448 ( 0.659 0.192 0.422) 0.806 20.704 ( 4.052 2.415 2.532) 5.354 20.846 ( -5.707 -3.592 -2.842) 7.317 21.578 ( 1.467 3.146 2.936) 4.546 21.723 ( -0.628 -4.201 -0.838) 4.330 22.035 ( -0.831 -0.169 3.417) 3.521 22.146 ( -0.480 1.221 -1.803) 2.230 22.428 ( 0.446 -2.560 1.642) 3.074 22.497 ( 1.034 3.712 1.100) 4.007 22.717 ( -1.518 0.540 -3.433) 3.792 22.864 ( 1.654 -1.069 -1.331) 2.377 ======================= Grid point 112 (64/78) ======================= q-point: (-0.60 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 12.021 0.000 11.423) 16.583 0.959 ( -0.023 -0.000 -4.916) 4.916 1.215 ( -1.405 -0.000 -1.393) 1.978 1.383 ( -1.804 -0.000 1.109) 2.118 1.613 ( -5.040 -0.000 -0.826) 5.107 1.715 ( 7.382 0.000 7.058) 10.213 1.769 ( -0.889 -0.000 4.539) 4.625 2.063 ( 5.382 0.000 2.821) 6.076 2.245 ( -0.368 -0.000 -4.697) 4.711 2.354 ( 0.727 0.000 8.525) 8.556 2.463 ( -11.837 -0.000 -4.691) 12.732 2.901 ( 5.042 0.000 0.622) 5.081 3.009 ( -7.676 -0.000 -1.475) 7.816 3.094 ( -5.692 -0.000 9.369) 10.963 3.250 ( -3.169 -0.000 5.266) 6.146 3.307 ( -1.888 -0.000 6.272) 6.550 3.740 ( -8.286 -0.000 -7.288) 11.035 3.793 ( -2.527 -0.000 2.233) 3.372 3.938 ( -0.885 -0.000 -0.253) 0.920 3.950 ( 1.752 0.000 0.958) 1.997 4.144 ( 2.165 0.000 5.639) 6.040 4.266 ( 1.011 0.000 3.105) 3.266 4.458 ( 3.847 0.000 -9.926) 10.645 4.537 ( 7.227 0.000 6.348) 9.619 4.561 ( 3.264 0.000 9.978) 10.499 4.688 ( 4.153 0.000 -0.080) 4.154 4.950 ( 4.343 0.000 -12.186) 12.937 5.019 ( 4.303 0.000 2.020) 4.753 5.105 ( -4.792 -0.000 12.517) 13.403 5.130 ( 0.588 0.000 0.366) 0.693 5.306 ( 9.922 0.000 -6.851) 12.057 5.486 ( 7.888 0.000 -2.503) 8.276 5.560 ( -6.517 -0.000 -6.113) 8.936 5.651 ( 0.683 0.000 -3.257) 3.328 5.930 ( -5.257 -0.000 -8.260) 9.791 6.051 ( -0.027 -0.000 -1.507) 1.507 6.161 ( -9.683 -0.000 -4.272) 10.584 6.387 ( 2.536 0.000 5.061) 5.661 6.461 ( 1.309 0.000 -1.439) 1.946 6.542 ( -3.400 -0.000 -5.163) 6.182 6.715 ( 6.577 0.000 -1.294) 6.703 6.898 ( -0.573 -0.000 -1.496) 1.601 7.127 ( -1.295 -0.000 12.699) 12.765 7.217 ( -5.875 -0.000 -4.288) 7.273 7.343 ( -1.359 -0.000 2.718) 3.039 7.571 ( 11.486 0.000 2.917) 11.851 7.810 ( -0.290 -0.000 12.911) 12.915 7.908 ( -6.167 -0.000 -11.284) 12.859 8.044 ( -11.176 -0.000 5.522) 12.466 8.235 ( 3.709 0.000 0.538) 3.748 8.398 ( 5.596 0.000 -5.027) 7.522 8.508 ( -0.727 -0.000 -5.345) 5.394 8.545 ( 5.609 0.000 0.998) 5.697 8.719 ( -0.528 -0.000 -0.472) 0.708 9.020 ( -6.241 -0.000 -1.522) 6.424 9.780 ( 1.381 0.000 -6.250) 6.401 9.850 ( -1.894 -0.000 -0.600) 1.987 10.077 ( 0.988 0.000 1.433) 1.740 10.166 ( 1.406 0.000 0.684) 1.563 10.429 ( 5.772 0.000 -10.693) 12.152 10.814 ( 1.987 0.000 -3.559) 4.076 11.353 ( -2.268 -0.000 -0.109) 2.270 11.854 ( 0.805 0.000 -3.208) 3.307 12.502 ( 1.511 0.000 -1.162) 1.906 12.751 ( -4.176 -0.000 -3.274) 5.307 13.043 ( 0.566 0.000 -2.858) 2.913 13.566 ( -0.014 -0.000 5.881) 5.881 13.626 ( 2.582 0.000 1.064) 2.793 13.669 ( 6.166 0.000 0.532) 6.189 13.715 ( -2.577 -0.000 -0.833) 2.708 13.956 ( -2.307 -0.000 7.440) 7.790 14.451 ( -11.407 -0.000 3.611) 11.965 14.504 ( 9.984 0.000 -10.812) 14.716 14.787 ( 1.071 0.000 -4.108) 4.245 15.265 ( -4.152 -0.000 6.414) 7.640 15.377 ( 0.930 0.000 6.333) 6.401 15.624 ( -3.914 -0.000 -3.974) 5.577 16.313 ( -4.273 -0.000 1.782) 4.630 16.559 ( 14.885 0.000 0.252) 14.887 17.041 ( -1.450 -0.000 -3.535) 3.820 17.541 ( 1.965 0.000 4.518) 4.927 17.666 ( 1.210 0.000 7.320) 7.419 18.501 ( 0.033 0.000 -2.546) 2.547 18.926 ( -2.252 -0.000 2.978) 3.733 19.021 ( -2.748 -0.000 0.136) 2.752 19.072 ( -1.243 -0.000 -3.420) 3.639 19.541 ( 1.676 0.000 -2.992) 3.429 19.754 ( -0.011 -0.000 0.236) 0.236 19.868 ( 0.358 0.000 -1.858) 1.892 19.923 ( 3.032 0.000 3.289) 4.473 20.253 ( -0.505 -0.000 -1.275) 1.371 20.513 ( 1.312 0.000 -1.039) 1.673 20.560 ( -0.972 -0.000 -0.852) 1.293 21.293 ( -8.028 -0.000 -3.874) 8.914 21.337 ( 4.110 0.000 1.720) 4.456 21.839 ( -2.341 -0.000 1.740) 2.917 21.883 ( 3.096 0.000 3.538) 4.702 22.111 ( 1.682 0.000 -1.008) 1.961 22.383 ( -2.213 -0.000 0.832) 2.364 22.705 ( 2.126 0.000 0.218) 2.137 22.728 ( 3.522 0.000 -1.323) 3.762 22.799 ( -3.273 -0.000 -3.868) 5.067 ======================= Grid point 113 (65/78) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 2.819 0.707 6.766) 7.364 0.983 ( 6.464 -2.914 -1.305) 7.210 1.218 ( -0.230 -2.168 -0.729) 2.298 1.321 ( -1.070 1.981 -3.337) 4.026 1.609 ( 2.761 -0.895 1.397) 3.222 1.785 ( -2.670 -1.491 3.520) 4.663 1.850 ( 4.384 -1.988 1.134) 4.945 2.112 ( -0.326 0.452 3.626) 3.668 2.177 ( -0.077 3.466 -4.674) 5.819 2.294 ( -6.011 0.287 -0.055) 6.018 2.502 ( -0.441 -8.465 6.438) 10.644 2.945 ( 2.456 1.478 5.679) 6.361 2.981 ( -3.347 -6.175 -4.464) 8.322 3.114 ( -3.958 -3.684 3.747) 6.578 3.278 ( 2.946 -2.092 11.484) 12.039 3.401 ( -4.625 -8.348 6.088) 11.320 3.624 ( -4.765 -1.808 -6.764) 8.469 3.800 ( 3.533 0.368 -0.247) 3.561 3.957 ( 0.281 -1.956 1.524) 2.496 3.979 ( -0.301 -3.947 2.051) 4.458 4.101 ( -6.154 4.839 2.058) 8.095 4.243 ( 5.761 3.559 3.936) 7.833 4.459 ( 1.253 9.117 2.920) 9.654 4.550 ( 4.746 0.156 -5.579) 7.326 4.665 ( -0.813 -2.405 2.276) 3.410 4.739 ( 5.553 4.138 -2.312) 7.301 4.926 ( 2.578 2.546 -10.012) 10.647 4.983 ( 0.178 7.465 3.024) 8.056 5.067 ( -7.160 -1.988 9.146) 11.784 5.145 ( -0.422 -1.456 0.940) 1.784 5.347 ( -6.287 3.396 -4.605) 8.501 5.474 ( 3.761 0.263 -10.482) 11.139 5.602 ( -0.524 2.041 -4.791) 5.234 5.700 ( 6.264 -7.128 5.068) 10.758 5.845 ( -0.393 -0.096 -4.094) 4.114 5.894 ( -6.814 2.606 -5.444) 9.102 6.075 ( 7.407 5.767 0.664) 9.411 6.383 ( 0.075 5.173 4.016) 6.549 6.552 ( -5.530 -7.151 -3.373) 9.649 6.585 ( 1.757 -6.691 3.942) 7.962 6.744 ( 3.003 1.200 -0.423) 3.262 6.896 ( -2.123 -1.306 -1.422) 2.870 7.085 ( -6.515 -0.235 -5.111) 8.284 7.145 ( -0.254 2.458 7.752) 8.136 7.292 ( 2.060 4.506 4.501) 6.694 7.563 ( -10.234 6.644 1.379) 12.279 7.749 ( 2.275 4.720 -2.971) 6.023 7.963 ( 1.437 0.118 5.004) 5.208 8.017 ( 3.831 -6.978 0.722) 7.994 8.277 ( 4.654 4.745 -4.336) 7.936 8.364 ( 2.889 -2.173 -5.795) 6.830 8.583 ( -1.065 -4.898 0.598) 5.048 8.669 ( -1.302 0.301 2.984) 3.269 8.759 ( 3.073 -9.841 1.157) 10.374 8.949 ( -0.642 -0.021 -3.462) 3.522 9.775 ( -1.564 -0.377 -4.454) 4.736 9.794 ( 0.626 2.462 -2.245) 3.390 10.070 ( -1.800 0.875 2.033) 2.853 10.169 ( 0.309 1.653 1.333) 2.146 10.432 ( 4.076 1.374 -11.318) 12.108 10.822 ( 1.755 0.146 -3.827) 4.213 11.328 ( -1.394 -0.088 0.777) 1.598 11.894 ( 2.212 -3.645 -4.112) 5.923 12.518 ( 0.720 -1.196 -0.977) 1.704 12.682 ( -1.461 2.464 -2.539) 3.828 13.014 ( 1.517 2.829 -3.304) 4.607 13.571 ( 0.350 2.028 5.016) 5.422 13.612 ( 0.294 1.045 0.622) 1.251 13.672 ( -2.524 1.428 0.840) 3.019 13.794 ( 2.436 -3.599 -0.379) 4.363 14.013 ( 0.164 -3.939 8.059) 8.972 14.270 ( -14.892 0.313 2.569) 15.116 14.551 ( 6.808 3.043 -6.629) 9.977 14.788 ( -1.649 -1.667 -2.467) 3.404 15.256 ( 2.294 1.467 5.389) 6.038 15.412 ( -0.322 0.356 2.894) 2.934 15.606 ( 4.154 0.107 -5.596) 6.970 16.273 ( -9.287 -3.716 5.650) 11.488 16.674 ( 8.355 4.310 -2.039) 9.619 16.998 ( -0.970 0.751 -2.961) 3.205 17.576 ( 0.926 0.442 2.582) 2.779 17.709 ( 2.655 2.254 5.827) 6.789 18.550 ( 1.741 -5.857 -3.959) 7.281 18.869 ( -1.197 3.933 0.884) 4.205 19.007 ( 0.005 -1.372 1.927) 2.366 19.114 ( -1.572 -6.000 -0.948) 6.275 19.512 ( -1.134 2.846 -1.039) 3.235 19.681 ( 1.683 12.381 -1.209) 12.553 19.769 ( 0.716 -0.897 -0.594) 1.292 20.156 ( 3.629 -11.292 -0.246) 11.863 20.259 ( 0.042 -1.663 -1.563) 2.282 20.506 ( 0.740 1.813 0.419) 2.003 20.548 ( -1.871 -1.381 -0.906) 2.496 21.102 ( -4.098 8.210 -1.230) 9.258 21.449 ( -0.348 -6.259 1.277) 6.397 21.782 ( -0.265 3.569 1.141) 3.756 21.974 ( 2.238 -2.730 2.337) 4.233 22.135 ( 1.359 -1.078 -1.865) 2.547 22.368 ( -1.305 -0.681 1.378) 2.016 22.661 ( 0.351 4.925 -0.158) 4.940 22.739 ( -1.986 0.497 -3.590) 4.132 22.802 ( 1.825 -2.712 -0.717) 3.346 ======================= Grid point 114 (66/78) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 1.416 0.666 2.305) 2.786 1.098 ( 3.480 -4.466 -3.596) 6.708 1.256 ( -0.085 -1.948 0.355) 1.982 1.288 ( 4.725 5.946 -3.847) 8.514 1.657 ( 0.045 -1.757 1.451) 2.279 1.774 ( -3.241 -0.960 1.981) 3.918 1.889 ( -0.606 0.333 0.696) 0.981 2.033 ( -5.461 3.447 -2.243) 6.836 2.139 ( 1.396 1.444 5.296) 5.664 2.307 ( 0.075 -3.634 0.474) 3.666 2.646 ( 1.019 -4.092 4.191) 5.945 2.959 ( 0.065 3.651 6.206) 7.201 3.011 ( -5.851 -5.336 1.474) 8.055 3.184 ( 1.532 -5.915 -3.438) 7.011 3.399 ( 1.289 -1.585 6.942) 7.236 3.520 ( 2.074 -6.429 3.294) 7.516 3.651 ( -5.092 -7.451 7.780) 11.915 3.868 ( 7.394 1.035 -1.921) 7.709 3.937 ( -2.807 1.725 0.930) 3.423 3.943 ( -5.528 2.580 2.886) 6.748 4.196 ( 6.194 -8.678 2.820) 11.028 4.258 ( -3.424 1.094 -2.616) 4.446 4.323 ( 0.896 5.434 1.716) 5.769 4.421 ( 1.060 15.055 0.054) 15.092 4.616 ( -2.365 1.086 -9.560) 9.908 4.769 ( 1.265 -2.460 -3.005) 4.084 4.782 ( -4.711 8.151 -2.610) 9.770 4.916 ( 4.887 3.756 -2.272) 6.569 5.013 ( -4.468 3.080 8.500) 10.085 5.147 ( -0.888 2.077 5.388) 5.843 5.234 ( -2.216 -4.316 -3.662) 6.078 5.424 ( 1.054 2.626 -8.851) 9.293 5.594 ( 3.555 0.024 -0.896) 3.666 5.757 ( -1.624 4.432 1.901) 5.089 5.875 ( 1.869 -2.066 0.154) 2.790 5.903 ( 0.512 -4.765 -3.631) 6.013 6.121 ( 11.038 2.884 -4.660) 12.324 6.289 ( -0.813 1.937 -3.649) 4.210 6.526 ( -9.838 -0.442 1.995) 10.048 6.724 ( -0.358 -4.749 5.852) 7.545 6.802 ( -4.579 -8.313 1.812) 9.662 6.877 ( -1.273 -1.468 4.600) 4.994 7.007 ( -7.691 -0.257 1.843) 7.913 7.127 ( 1.270 2.607 -2.080) 3.569 7.266 ( -0.947 4.891 1.407) 5.177 7.417 ( 2.262 -1.804 -1.958) 3.493 7.730 ( 12.169 7.017 3.219) 14.411 7.954 ( 0.472 -0.649 -1.828) 1.997 8.136 ( 2.623 2.490 -0.793) 3.703 8.267 ( 1.972 -1.182 -7.179) 7.538 8.378 ( -7.852 -0.652 1.377) 7.998 8.511 ( -3.731 -0.976 -3.226) 5.028 8.800 ( -2.305 -1.532 4.828) 5.565 8.813 ( 6.149 -0.114 -1.097) 6.247 9.104 ( 5.607 -9.698 -0.960) 11.243 9.704 ( -1.965 1.908 1.276) 3.021 9.792 ( 1.146 -0.529 -5.144) 5.297 10.025 ( -3.345 1.205 0.932) 3.676 10.134 ( -0.019 2.521 1.264) 2.820 10.402 ( 4.170 1.709 -12.050) 12.865 10.819 ( 1.447 0.459 -4.109) 4.380 11.333 ( -0.595 -1.234 1.619) 2.121 11.965 ( 2.045 -2.600 -4.679) 5.730 12.572 ( -0.100 -4.545 -1.926) 4.938 12.608 ( 1.621 4.058 -1.075) 4.500 12.980 ( 1.725 1.209 -3.083) 3.734 13.537 ( -0.128 3.668 3.929) 5.377 13.581 ( -2.820 2.240 1.981) 4.110 13.632 ( -1.661 1.637 2.580) 3.478 13.887 ( 7.804 -3.352 -2.678) 8.906 14.064 ( -10.341 -1.218 8.033) 13.151 14.170 ( -6.106 -5.642 -0.896) 8.362 14.547 ( 6.575 3.730 -1.553) 7.717 14.756 ( -4.749 0.089 0.300) 4.759 15.320 ( 4.617 -0.558 2.508) 5.284 15.380 ( -2.290 1.297 0.034) 2.632 15.681 ( 12.344 0.540 -4.295) 13.081 16.207 ( -14.499 -2.165 5.526) 15.667 16.650 ( 2.528 4.891 0.736) 5.555 16.976 ( 0.474 -0.190 -3.166) 3.207 17.557 ( -0.535 2.743 0.969) 2.958 17.704 ( 0.431 2.712 3.796) 4.685 18.653 ( 3.029 -2.320 -6.280) 7.348 18.828 ( -0.518 -1.546 0.443) 1.689 19.059 ( 1.815 -1.672 1.295) 2.787 19.216 ( -1.732 -8.091 2.402) 8.616 19.399 ( -1.839 7.233 1.898) 7.701 19.536 ( 1.293 5.339 -3.718) 6.633 19.786 ( 1.618 0.278 -1.576) 2.276 20.268 ( 0.260 0.261 -1.473) 1.519 20.322 ( -0.259 -4.485 -3.186) 5.508 20.461 ( -2.326 1.723 0.628) 2.963 20.639 ( 3.777 -8.739 0.136) 9.521 20.915 ( -0.314 9.686 1.089) 9.752 21.549 ( -1.783 -6.297 2.034) 6.854 21.717 ( -0.600 3.933 -0.121) 3.981 22.042 ( 1.979 -1.006 1.875) 2.906 22.143 ( -1.024 0.273 -1.798) 2.088 22.395 ( 0.252 -2.451 1.107) 2.701 22.576 ( -0.901 3.774 0.316) 3.893 22.699 ( -0.322 0.870 -1.831) 2.053 22.853 ( 1.213 -1.541 -1.691) 2.589 ======================= Grid point 118 (67/78) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.690 -0.000 -0.366) 0.781 1.021 ( -0.639 -0.000 -2.715) 2.789 1.196 ( 0.878 0.000 -0.568) 1.046 1.417 ( 13.958 0.000 -0.187) 13.959 1.640 ( 1.821 0.000 -0.894) 2.029 1.750 ( -3.305 -0.000 3.662) 4.933 1.882 ( 2.179 0.000 0.026) 2.179 2.101 ( -3.428 -0.000 2.666) 4.343 2.187 ( -4.087 -0.000 4.348) 5.967 2.255 ( 2.148 0.000 -3.713) 4.290 2.475 ( 3.720 0.000 9.018) 9.755 2.768 ( -10.523 -0.000 1.753) 10.668 3.032 ( 4.052 0.000 -5.034) 6.462 3.177 ( 7.858 0.000 6.970) 10.504 3.276 ( -4.476 -0.000 6.530) 7.917 3.334 ( -0.047 -0.000 9.745) 9.745 3.524 ( -0.652 -0.000 -7.530) 7.558 3.892 ( 9.382 0.000 -1.249) 9.465 3.899 ( -4.206 -0.000 2.938) 5.131 3.964 ( 2.376 0.000 2.185) 3.228 4.121 ( -3.935 -0.000 0.275) 3.944 4.295 ( -1.986 -0.000 2.123) 2.907 4.511 ( -4.429 -0.000 -1.506) 4.678 4.514 ( -2.746 -0.000 -1.106) 2.961 4.648 ( 2.057 0.000 0.933) 2.259 4.837 ( -3.927 -0.000 -1.777) 4.311 4.926 ( -10.013 -0.000 10.785) 14.717 4.966 ( 5.570 0.000 -11.995) 13.225 5.120 ( 4.203 0.000 0.833) 4.285 5.205 ( 6.908 0.000 0.208) 6.911 5.344 ( -2.443 -0.000 -6.016) 6.493 5.491 ( 3.576 0.000 -1.811) 4.008 5.511 ( -5.291 -0.000 -1.083) 5.401 5.621 ( -16.501 -0.000 -3.473) 16.862 5.828 ( 0.580 0.000 -0.462) 0.742 5.863 ( 10.973 0.000 -3.961) 11.666 6.280 ( 12.650 0.000 -1.723) 12.767 6.319 ( -6.988 -0.000 1.486) 7.145 6.514 ( -1.324 -0.000 11.969) 12.042 6.585 ( 4.636 0.000 -4.524) 6.477 6.756 ( -7.182 -0.000 -6.537) 9.711 6.788 ( -8.648 -0.000 3.175) 9.212 6.930 ( -5.006 -0.000 -6.681) 8.349 7.227 ( 3.384 0.000 1.947) 3.904 7.409 ( 3.231 0.000 12.053) 12.478 7.503 ( -10.708 -0.000 3.281) 11.199 7.758 ( -0.268 -0.000 -5.748) 5.755 7.983 ( -2.646 -0.000 6.886) 7.377 8.098 ( 15.212 0.000 3.275) 15.560 8.375 ( 2.818 0.000 -3.259) 4.309 8.452 ( 0.407 0.000 -5.852) 5.866 8.519 ( 7.979 0.000 -6.629) 10.374 8.529 ( -9.526 -0.000 0.934) 9.572 8.728 ( 5.948 0.000 2.333) 6.389 8.984 ( 3.368 0.000 -2.058) 3.947 9.727 ( -1.184 -0.000 -5.076) 5.212 9.815 ( -0.077 -0.000 -0.703) 0.707 10.036 ( -5.492 -0.000 3.321) 6.418 10.199 ( 0.651 0.000 0.791) 1.024 10.431 ( 1.713 0.000 -11.429) 11.557 10.827 ( 1.445 0.000 -4.055) 4.304 11.319 ( -0.485 -0.000 1.590) 1.662 11.879 ( 3.527 0.000 -4.449) 5.678 12.502 ( -0.879 -0.000 -1.047) 1.367 12.702 ( 2.289 0.000 -0.854) 2.443 13.048 ( 2.059 0.000 -3.778) 4.303 13.615 ( -0.801 -0.000 4.621) 4.690 13.617 ( -3.018 -0.000 0.840) 3.133 13.705 ( -1.633 -0.000 -0.360) 1.672 13.706 ( 1.577 0.000 -0.090) 1.579 14.027 ( -2.638 -0.000 9.854) 10.201 14.077 ( -14.189 -0.000 2.720) 14.447 14.647 ( 8.194 0.000 -6.297) 10.334 14.724 ( -3.554 -0.000 -1.120) 3.726 15.315 ( 1.939 0.000 1.751) 2.613 15.441 ( 0.118 0.000 3.388) 3.390 15.679 ( 10.289 0.000 -4.232) 11.125 16.131 ( -11.492 -0.000 5.902) 12.919 16.744 ( -0.505 -0.000 -3.762) 3.795 16.998 ( 1.760 0.000 -2.178) 2.800 17.589 ( -1.066 -0.000 2.106) 2.360 17.819 ( 5.544 0.000 1.255) 5.684 18.498 ( 1.566 0.000 -2.533) 2.978 18.913 ( -0.852 -0.000 3.066) 3.183 18.998 ( 0.629 0.000 1.194) 1.349 19.050 ( 1.792 0.000 -1.899) 2.611 19.513 ( -1.747 -0.000 -0.492) 1.815 19.781 ( 2.345 0.000 -0.885) 2.506 19.877 ( 1.485 0.000 -2.271) 2.713 19.983 ( -0.651 -0.000 -1.102) 1.280 20.257 ( 1.764 0.000 -1.482) 2.303 20.506 ( -3.155 -0.000 1.494) 3.491 20.534 ( 1.076 0.000 -1.415) 1.778 21.154 ( -0.633 -0.000 2.567) 2.644 21.371 ( -2.280 -0.000 0.164) 2.286 21.811 ( -1.206 -0.000 3.028) 3.259 22.002 ( 4.794 0.000 -1.408) 4.996 22.123 ( -0.148 -0.000 -2.750) 2.753 22.355 ( -0.702 -0.000 1.903) 2.029 22.658 ( -5.677 -0.000 -0.306) 5.685 22.758 ( 2.135 0.000 -1.917) 2.870 22.783 ( 2.057 0.000 -1.065) 2.316 ======================= Grid point 119 (68/78) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.121 -0.331 -0.640) 0.731 1.020 ( 0.998 -4.793 -9.382) 10.583 1.228 ( 1.302 -1.623 0.072) 2.082 1.500 ( 4.607 6.045 -2.832) 8.111 1.673 ( 6.984 1.711 1.239) 7.296 1.718 ( -3.969 -0.712 3.019) 5.037 1.890 ( -0.313 0.229 -0.638) 0.747 2.029 ( -3.638 2.887 -0.140) 4.647 2.225 ( -0.879 -2.252 12.321) 12.556 2.256 ( 2.302 1.429 -1.706) 3.202 2.622 ( 2.487 -4.287 9.776) 10.960 2.748 ( -7.541 -9.013 -0.110) 11.752 3.046 ( 3.051 0.329 -7.228) 7.853 3.175 ( 2.595 1.650 1.093) 3.264 3.372 ( -2.723 -6.394 5.845) 9.081 3.479 ( 6.077 -6.481 11.582) 14.597 3.534 ( 2.441 -0.474 2.448) 3.489 3.927 ( -5.545 -1.070 1.270) 5.788 3.937 ( -1.896 0.446 4.533) 4.933 4.011 ( 5.057 2.052 -4.151) 6.857 4.112 ( 8.494 -5.938 -3.643) 10.985 4.212 ( -6.147 3.390 -1.241) 7.129 4.419 ( -2.315 2.854 1.059) 3.825 4.518 ( -6.479 4.130 -2.094) 7.964 4.636 ( -2.369 5.280 1.196) 5.910 4.666 ( -1.487 -2.422 -6.558) 7.147 4.869 ( -6.324 1.719 4.454) 7.924 4.966 ( 1.596 1.004 -5.876) 6.171 5.067 ( -0.188 9.112 2.229) 9.383 5.126 ( -3.876 4.244 1.093) 5.851 5.319 ( 7.745 0.290 -2.619) 8.181 5.399 ( -14.209 -4.826 -6.991) 16.555 5.548 ( 0.517 -4.845 -4.455) 6.602 5.622 ( 0.616 -4.970 8.530) 9.892 5.844 ( 0.013 -0.332 -2.567) 2.588 6.006 ( 13.728 1.757 -4.321) 14.499 6.299 ( -3.454 3.634 2.355) 5.539 6.327 ( 1.508 0.566 -3.120) 3.511 6.439 ( -1.329 7.740 3.108) 8.445 6.569 ( -8.265 -2.296 -1.070) 8.645 6.664 ( -2.622 -5.341 1.856) 6.232 6.835 ( 0.277 -3.945 -3.377) 5.200 6.908 ( -0.091 -5.329 6.859) 8.686 7.233 ( 2.995 3.786 -1.779) 5.144 7.341 ( -3.096 5.008 1.558) 6.090 7.487 ( 2.488 4.617 8.119) 9.666 7.789 ( -1.353 -6.358 0.895) 6.562 7.994 ( -0.748 -0.759 3.039) 3.220 8.243 ( 0.345 5.147 -3.986) 6.519 8.294 ( -10.774 5.077 3.497) 12.413 8.305 ( 13.066 3.155 -6.108) 14.764 8.493 ( 3.968 -0.409 -7.034) 8.087 8.661 ( -1.106 -6.387 1.068) 6.570 8.958 ( 4.195 -8.323 -4.704) 10.440 8.995 ( 8.255 0.614 2.435) 8.629 9.694 ( -1.810 -0.387 -3.039) 3.559 9.798 ( -0.199 1.781 1.280) 2.202 9.977 ( -5.338 -0.598 1.958) 5.717 10.182 ( -0.260 2.406 0.383) 2.450 10.397 ( 1.633 -0.347 -12.141) 12.255 10.823 ( 1.154 0.156 -4.342) 4.496 11.328 ( 0.358 -0.012 2.390) 2.417 11.932 ( 3.551 -2.457 -4.829) 6.478 12.499 ( -1.136 -2.381 -1.653) 3.113 12.715 ( 4.421 4.083 0.443) 6.035 13.030 ( 1.849 2.827 -3.276) 4.706 13.576 ( -2.907 2.447 1.700) 4.163 13.599 ( -2.825 -1.344 1.366) 3.414 13.610 ( -2.618 2.274 0.784) 3.555 13.832 ( -3.450 -6.169 5.506) 8.960 13.939 ( -8.776 -5.900 1.817) 10.730 14.075 ( 4.253 0.859 3.209) 5.397 14.664 ( -2.997 1.239 0.827) 3.346 14.721 ( 6.532 1.297 -4.020) 7.779 15.338 ( -0.387 -0.779 -0.191) 0.890 15.416 ( -0.285 2.976 1.856) 3.519 15.802 ( 3.544 -1.684 3.266) 5.105 16.036 ( -4.740 -1.193 -0.666) 4.933 16.693 ( -3.042 0.964 -0.829) 3.297 16.998 ( 2.124 1.853 -2.574) 3.817 17.565 ( -2.635 0.600 0.890) 2.846 17.818 ( 2.235 5.347 -0.811) 5.852 18.567 ( 1.768 -5.768 -4.166) 7.331 18.881 ( 1.300 3.771 1.818) 4.384 19.061 ( 2.407 -2.828 1.756) 4.108 19.102 ( 1.285 -3.730 -0.236) 3.952 19.460 ( -2.487 3.073 -0.107) 3.954 19.680 ( -0.414 11.140 -1.371) 11.231 19.822 ( 3.248 0.712 -1.388) 3.603 20.129 ( -2.574 -9.583 -3.831) 10.637 20.296 ( 3.239 -1.812 -1.153) 3.887 20.456 ( -2.966 1.525 1.617) 3.707 20.571 ( 1.501 -4.137 -1.152) 4.549 21.090 ( 1.483 8.641 3.009) 9.270 21.410 ( -2.699 -6.969 1.460) 7.614 21.782 ( -0.352 3.484 2.273) 4.175 22.064 ( 4.033 -1.184 -2.224) 4.756 22.107 ( -1.983 -0.841 -2.179) 3.064 22.372 ( 0.424 -1.205 1.884) 2.277 22.575 ( -5.381 1.207 1.647) 5.756 22.740 ( 2.341 2.239 -2.133) 3.879 22.831 ( 1.079 -1.727 -1.390) 2.466 ======================= Grid point 124 (69/78) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.984 -0.000 -0.395) 1.060 0.953 ( 6.043 0.000 -14.486) 15.696 1.239 ( 1.923 0.000 0.537) 1.997 1.516 ( -2.052 -0.000 -4.270) 4.737 1.657 ( -5.188 -0.000 0.958) 5.275 1.874 ( 11.523 0.000 3.587) 12.068 1.876 ( -1.607 -0.000 -0.385) 1.652 2.012 ( -2.556 -0.000 -1.283) 2.860 2.172 ( -4.930 -0.000 3.395) 5.986 2.367 ( 5.127 0.000 8.904) 10.274 2.483 ( -11.128 -0.000 3.486) 11.661 2.788 ( 11.084 0.000 9.686) 14.720 3.045 ( 3.155 0.000 -8.897) 9.440 3.229 ( -1.731 -0.000 -0.401) 1.777 3.251 ( -1.060 -0.000 5.969) 6.063 3.510 ( 2.786 0.000 4.355) 5.170 3.740 ( 16.287 0.000 7.448) 17.909 3.805 ( -8.211 -0.000 2.040) 8.460 3.944 ( -1.279 -0.000 -5.271) 5.424 3.974 ( -1.047 -0.000 6.974) 7.052 4.121 ( -5.329 -0.000 -7.008) 8.804 4.203 ( 1.303 0.000 -2.694) 2.993 4.448 ( 4.502 0.000 0.694) 4.555 4.520 ( -4.027 -0.000 15.605) 16.116 4.627 ( -6.435 -0.000 -4.970) 8.130 4.631 ( -4.247 -0.000 -9.456) 10.366 4.801 ( -10.854 -0.000 3.193) 11.314 4.906 ( -13.624 -0.000 -3.684) 14.113 5.000 ( 5.304 0.000 -10.638) 11.887 5.158 ( 1.226 0.000 -0.402) 1.290 5.220 ( -2.628 -0.000 -0.708) 2.722 5.330 ( -2.991 -0.000 -0.956) 3.140 5.519 ( 2.299 0.000 -5.020) 5.522 5.674 ( 4.415 0.000 8.067) 9.196 5.807 ( -5.208 -0.000 -0.999) 5.303 6.145 ( 7.710 0.000 -9.326) 12.100 6.265 ( 1.344 0.000 6.086) 6.233 6.319 ( -6.298 -0.000 -6.140) 8.796 6.551 ( 7.575 0.000 -0.265) 7.580 6.565 ( -3.172 -0.000 7.045) 7.726 6.650 ( 4.552 0.000 4.333) 6.284 6.726 ( 3.673 0.000 0.852) 3.771 6.943 ( 3.460 0.000 4.396) 5.594 7.261 ( -2.588 -0.000 -4.442) 5.140 7.309 ( -6.313 -0.000 0.157) 6.315 7.648 ( 4.647 0.000 11.831) 12.711 7.712 ( -1.714 -0.000 1.462) 2.253 7.932 ( -5.199 -0.000 1.050) 5.304 8.230 ( -10.656 -0.000 5.159) 11.840 8.246 ( -6.123 -0.000 -5.396) 8.161 8.433 ( 1.860 0.000 -11.970) 12.114 8.473 ( 11.424 0.000 0.852) 11.456 8.785 ( 12.465 0.000 -4.667) 13.310 8.827 ( 1.294 0.000 -4.042) 4.244 9.139 ( 8.018 0.000 1.840) 8.227 9.636 ( -3.518 -0.000 -2.022) 4.057 9.834 ( 0.147 0.000 3.533) 3.536 9.903 ( -5.430 -0.000 2.895) 6.153 10.188 ( -1.758 -0.000 -2.663) 3.191 10.359 ( 2.408 0.000 -11.705) 11.951 10.817 ( 0.894 0.000 -4.530) 4.617 11.355 ( 1.210 0.000 3.127) 3.353 11.937 ( 3.567 0.000 -4.631) 5.845 12.447 ( -1.930 -0.000 -1.600) 2.506 12.843 ( 7.571 0.000 1.413) 7.702 13.068 ( 1.408 0.000 -2.322) 2.716 13.521 ( -4.981 -0.000 0.585) 5.015 13.540 ( -10.881 -0.000 -3.893) 11.557 13.601 ( -2.140 -0.000 5.280) 5.697 13.766 ( 2.804 0.000 0.700) 2.890 13.801 ( -4.815 -0.000 7.842) 9.202 14.181 ( 7.249 0.000 1.662) 7.438 14.619 ( -4.089 -0.000 1.910) 4.513 14.828 ( 7.546 0.000 -3.036) 8.134 15.317 ( -2.073 -0.000 0.562) 2.148 15.436 ( -1.796 -0.000 0.725) 1.937 15.691 ( -14.950 -0.000 6.134) 16.159 16.107 ( 13.646 0.000 -4.264) 14.296 16.633 ( -6.464 -0.000 0.405) 6.477 17.037 ( 2.630 0.000 -3.101) 4.066 17.531 ( -3.774 -0.000 0.885) 3.876 17.865 ( -0.628 -0.000 -5.932) 5.965 18.523 ( 1.576 0.000 -2.172) 2.683 18.940 ( 0.251 0.000 4.249) 4.256 19.071 ( 3.894 0.000 1.424) 4.146 19.115 ( 4.163 0.000 -2.842) 5.041 19.448 ( -3.043 -0.000 -1.833) 3.552 19.797 ( -0.297 -0.000 -3.131) 3.145 19.906 ( -2.885 -0.000 -0.470) 2.923 19.929 ( 3.297 0.000 -1.072) 3.467 20.320 ( 4.087 0.000 -1.720) 4.434 20.451 ( -2.175 -0.000 4.016) 4.567 20.524 ( -0.567 -0.000 -2.703) 2.762 21.238 ( -6.933 -0.000 -1.122) 7.023 21.284 ( 5.711 0.000 5.434) 7.883 21.830 ( 0.171 0.000 3.574) 3.578 22.045 ( -1.664 -0.000 -3.176) 3.586 22.102 ( 3.180 0.000 -2.782) 4.225 22.383 ( 1.095 0.000 2.690) 2.904 22.523 ( -5.450 -0.000 2.849) 6.149 22.764 ( 0.126 0.000 -3.698) 3.700 22.834 ( 2.451 0.000 -0.564) 2.515 ======================= Grid point 125 (70/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 -0.000 0.000) 0.000 0.950 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.435 ( -0.000 -0.000 0.000) 0.000 1.469 ( -0.000 -0.000 0.000) 0.000 1.851 ( -0.000 -0.000 0.000) 0.000 1.896 ( -0.000 -0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.836 ( -0.000 -0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.371 ( -0.000 -0.000 0.000) 0.000 3.384 ( 0.000 0.000 -0.000) 0.000 3.432 ( -0.000 -0.000 -0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.739 ( -0.000 -0.000 -0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.989 ( -0.000 -0.000 -0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.445 ( -0.000 -0.000 0.000) 0.000 4.451 ( 0.000 0.000 -0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.842 ( -0.000 -0.000 0.000) 0.000 4.879 ( -0.000 -0.000 0.000) 0.000 5.054 ( -0.000 -0.000 0.000) 0.000 5.259 ( 0.000 0.000 -0.000) 0.000 5.281 ( -0.000 -0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.536 ( -0.000 -0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 6.084 ( -0.000 -0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.625 ( -0.000 -0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.846 ( -0.000 -0.000 0.000) 0.000 6.955 ( 0.000 0.000 0.000) 0.000 7.061 ( -0.000 -0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.386 ( -0.000 -0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.621 ( -0.000 -0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.918 ( -0.000 -0.000 0.000) 0.000 9.352 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.873 ( -0.000 -0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 10.017 ( 0.000 0.000 -0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.752 ( 0.000 0.000 0.000) 0.000 11.432 ( 0.000 0.000 0.000) 0.000 11.920 ( -0.000 -0.000 0.000) 0.000 12.386 ( 0.000 0.000 0.000) 0.000 13.018 ( -0.000 -0.000 0.000) 0.000 13.089 ( 0.000 0.000 0.000) 0.000 13.251 ( -0.000 -0.000 0.000) 0.000 13.433 ( 0.000 0.000 0.000) 0.000 13.701 ( -0.000 -0.000 0.000) 0.000 13.826 ( -0.000 -0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 14.313 ( 0.000 0.000 0.000) 0.000 14.626 ( 0.000 0.000 0.000) 0.000 14.897 ( -0.000 -0.000 0.000) 0.000 15.367 ( 0.000 0.000 0.000) 0.000 15.382 ( 0.000 0.000 0.000) 0.000 15.424 ( -0.000 -0.000 0.000) 0.000 16.364 ( -0.000 -0.000 0.000) 0.000 16.472 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 17.705 ( 0.000 0.000 0.000) 0.000 18.511 ( 0.000 0.000 0.000) 0.000 19.074 ( -0.000 -0.000 0.000) 0.000 19.078 ( 0.000 0.000 -0.000) 0.000 19.208 ( 0.000 0.000 0.000) 0.000 19.292 ( -0.000 -0.000 0.000) 0.000 19.727 ( 0.000 0.000 0.000) 0.000 19.876 ( 0.000 0.000 0.000) 0.000 19.957 ( 0.000 0.000 0.000) 0.000 20.348 ( -0.000 -0.000 0.000) 0.000 20.471 ( 0.000 0.000 0.000) 0.000 20.546 ( -0.000 -0.000 0.000) 0.000 21.074 ( 0.000 0.000 0.000) 0.000 21.463 ( -0.000 -0.000 0.000) 0.000 21.895 ( -0.000 -0.000 0.000) 0.000 22.007 ( -0.000 -0.000 0.000) 0.000 22.072 ( -0.000 -0.000 0.000) 0.000 22.473 ( 0.000 0.000 0.000) 0.000 22.508 ( 0.000 0.000 0.000) 0.000 22.665 ( 0.000 0.000 0.000) 0.000 22.859 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 127 (71/78) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -2.722 -4.671 0.427) 5.423 0.942 ( -3.885 -3.401 -2.088) 5.570 1.269 ( -0.184 2.237 0.430) 2.285 1.314 ( 1.421 5.537 3.142) 6.523 1.631 ( 0.963 -8.317 0.938) 8.425 1.815 ( -0.115 3.457 2.178) 4.087 1.931 ( 0.465 -0.522 1.762) 1.896 2.008 ( -6.419 2.226 0.748) 6.835 2.144 ( 2.243 0.668 -0.651) 2.429 2.408 ( 2.831 -5.066 3.254) 6.653 2.618 ( -1.520 -0.506 -6.032) 6.241 2.884 ( -0.253 1.579 2.089) 2.631 3.266 ( -5.368 1.687 -6.120) 8.314 3.304 ( -2.516 1.830 -2.357) 3.903 3.415 ( 2.458 -2.980 2.439) 4.568 3.525 ( -0.863 -10.994 2.063) 11.219 3.675 ( 5.237 3.341 1.110) 6.310 3.780 ( -1.014 -2.951 -0.184) 3.125 3.924 ( -1.784 2.802 -2.002) 3.878 3.960 ( -0.018 0.769 4.734) 4.797 4.085 ( 3.173 -1.434 -2.728) 4.423 4.246 ( 14.067 -9.256 8.612) 18.913 4.358 ( -8.155 -1.427 -1.840) 8.481 4.438 ( -7.786 2.472 0.963) 8.226 4.601 ( -0.754 6.925 -3.140) 7.641 4.687 ( -0.828 5.307 -1.499) 5.576 4.731 ( 0.651 1.478 -3.195) 3.580 4.803 ( 2.754 1.366 1.113) 3.269 4.943 ( -0.045 -7.351 0.583) 7.374 5.125 ( 4.481 -3.074 5.984) 8.084 5.224 ( -4.363 -2.282 2.596) 5.566 5.368 ( 7.019 -1.639 -6.541) 9.733 5.444 ( 2.793 0.573 -2.906) 4.071 5.629 ( 6.646 -0.660 3.712) 7.641 5.798 ( 0.863 -6.844 -1.574) 7.075 6.038 ( 0.995 5.021 4.377) 6.735 6.121 ( -0.275 9.182 -4.856) 10.391 6.446 ( -3.627 -1.558 -1.658) 4.282 6.513 ( -0.551 6.138 1.129) 6.265 6.771 ( -9.226 -2.499 -1.583) 9.688 6.794 ( -5.104 -2.410 -4.270) 7.078 6.983 ( -2.954 -4.583 -5.039) 7.424 7.076 ( 3.291 2.077 0.695) 3.953 7.167 ( -0.303 2.680 6.012) 6.590 7.293 ( -2.842 -0.073 -8.688) 9.142 7.530 ( 6.482 4.730 8.814) 11.920 7.716 ( 9.213 -0.390 4.722) 10.360 7.959 ( -0.323 0.021 -5.215) 5.225 8.052 ( 0.254 7.859 -0.193) 7.866 8.195 ( 0.407 -6.931 3.432) 7.745 8.230 ( 1.749 0.251 -0.785) 1.933 8.621 ( -3.099 6.346 1.603) 7.241 8.723 ( -3.290 -4.989 -2.280) 6.397 8.897 ( -7.767 -7.446 5.425) 12.050 9.240 ( -0.067 6.609 -2.744) 7.156 9.638 ( 2.430 -4.268 -1.820) 5.238 9.869 ( -0.411 5.403 -1.109) 5.531 9.920 ( 0.511 -2.647 -0.613) 2.765 10.088 ( 4.503 -4.201 1.715) 6.393 10.241 ( -0.439 2.164 -0.634) 2.298 10.758 ( 0.195 -0.378 0.234) 0.486 11.408 ( -0.912 1.624 -0.625) 1.965 11.923 ( -1.577 -1.427 0.496) 2.184 12.425 ( 1.492 -3.007 0.124) 3.359 12.863 ( -2.539 10.354 -0.994) 10.707 13.034 ( -0.986 3.829 -0.184) 3.958 13.381 ( 3.754 -6.219 2.023) 7.541 13.512 ( 3.394 -4.773 0.203) 5.861 13.641 ( -1.893 2.480 0.553) 3.168 13.889 ( 6.422 0.758 -4.574) 7.920 13.922 ( -2.581 -9.511 -0.507) 9.868 14.272 ( -6.170 0.710 0.275) 6.216 14.596 ( 3.803 4.294 -1.176) 5.855 14.839 ( -7.995 0.953 3.369) 8.728 15.340 ( 0.059 0.495 -2.487) 2.536 15.383 ( 0.979 0.446 1.478) 1.828 15.578 ( 17.166 -1.035 -1.890) 17.300 16.252 ( -15.764 -2.040 1.544) 15.970 16.568 ( 5.679 -2.304 1.720) 6.365 16.990 ( -0.275 2.316 -0.429) 2.372 17.499 ( 1.132 -0.877 0.844) 1.662 17.717 ( 0.442 -0.116 2.653) 2.692 18.529 ( -0.110 -2.267 0.027) 2.270 18.999 ( -2.420 5.662 -1.532) 6.345 19.089 ( -1.065 -1.208 1.532) 2.223 19.201 ( -1.749 -3.869 -1.985) 4.687 19.350 ( 3.741 -0.785 0.437) 3.847 19.676 ( -0.508 12.216 -0.555) 12.239 19.752 ( 1.390 -0.080 2.412) 2.785 20.104 ( -1.380 -8.748 -0.486) 8.870 20.336 ( -1.818 -0.220 0.428) 1.881 20.454 ( 0.039 1.338 -0.082) 1.341 20.597 ( -0.976 -5.994 -1.648) 6.293 21.026 ( 5.476 8.742 1.250) 10.391 21.508 ( -1.231 -5.687 -2.236) 6.234 21.814 ( -1.086 6.398 0.633) 6.520 22.046 ( -2.225 -4.193 0.473) 4.770 22.081 ( -0.036 -0.646 1.022) 1.209 22.459 ( -1.721 0.171 -1.144) 2.073 22.519 ( 3.933 0.876 -1.380) 4.259 22.677 ( 0.422 -0.170 1.788) 1.845 22.851 ( -0.658 0.127 -0.514) 0.844 ======================= Grid point 128 (72/78) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.309 -0.141 -1.069) 1.122 1.000 ( -3.224 -7.124 -0.232) 7.823 1.257 ( 2.242 0.085 1.113) 2.504 1.303 ( 2.654 1.772 3.408) 4.669 1.696 ( -2.135 3.038 -1.105) 3.874 1.766 ( -2.302 -1.275 1.126) 2.862 1.871 ( -2.294 0.781 0.566) 2.489 1.985 ( 0.131 -0.338 0.749) 0.832 2.189 ( 2.610 -1.003 0.467) 2.835 2.471 ( 2.752 1.317 1.241) 3.294 2.696 ( 1.157 -3.451 1.881) 4.097 2.774 ( -4.763 -0.306 -4.050) 6.260 3.135 ( -5.304 3.102 -2.247) 6.543 3.293 ( 0.707 -0.684 -0.445) 1.079 3.515 ( 1.834 -1.545 0.736) 2.508 3.697 ( 8.458 -4.040 -1.703) 9.527 3.763 ( -4.671 -7.232 -1.415) 8.725 3.813 ( 7.193 -1.102 3.569) 8.105 3.902 ( -1.266 0.292 1.030) 1.658 3.928 ( -4.058 0.724 2.829) 4.999 4.065 ( -7.017 5.102 2.013) 8.906 4.189 ( -3.761 2.608 -7.829) 9.069 4.346 ( 1.519 -2.357 3.229) 4.276 4.455 ( 1.023 2.694 -1.661) 3.326 4.525 ( 1.300 3.894 -1.324) 4.314 4.637 ( -0.457 -0.138 3.520) 3.552 4.761 ( 2.061 -3.027 2.845) 4.637 4.812 ( 1.746 1.029 -1.705) 2.648 5.104 ( 4.976 -4.781 -1.948) 7.170 5.202 ( -0.576 -0.981 0.742) 1.358 5.266 ( 1.261 0.963 2.040) 2.584 5.423 ( 1.724 -1.539 -2.789) 3.622 5.527 ( 5.982 -7.460 -0.132) 9.563 5.761 ( -0.778 -1.957 2.295) 3.115 5.775 ( -2.691 1.102 3.138) 4.278 5.961 ( -0.533 7.523 -5.397) 9.274 6.022 ( 2.383 2.403 2.014) 3.939 6.312 ( 4.374 6.921 -2.008) 8.430 6.409 ( -11.257 0.666 -0.358) 11.283 6.776 ( -2.622 -7.491 -3.871) 8.830 6.807 ( -0.581 -3.691 -1.275) 3.948 6.933 ( -2.073 1.538 -2.671) 3.714 7.080 ( 1.683 4.135 3.863) 5.904 7.165 ( -2.878 2.985 -4.795) 6.339 7.243 ( 0.131 -6.674 7.787) 10.256 7.552 ( 2.963 8.653 -0.430) 9.157 7.774 ( 9.363 4.044 -4.968) 11.344 7.983 ( -0.552 -4.641 6.560) 8.055 8.041 ( 1.277 -5.660 -0.409) 5.817 8.217 ( 5.172 4.942 -2.841) 7.697 8.327 ( -9.065 -2.519 5.819) 11.063 8.387 ( -4.915 4.617 -2.987) 7.375 8.775 ( 2.959 -4.452 0.662) 5.387 8.917 ( -4.891 2.109 1.140) 5.447 9.213 ( 0.989 -3.083 -1.084) 3.415 9.678 ( -0.258 1.203 -1.845) 2.217 9.782 ( 0.611 1.987 0.025) 2.079 9.951 ( -0.072 -0.999 -0.246) 1.031 10.196 ( -0.993 1.045 2.669) 3.034 10.219 ( 3.437 -2.263 -2.199) 4.666 10.767 ( 0.101 -0.198 0.130) 0.257 11.367 ( -0.629 1.064 -0.425) 1.307 11.931 ( -0.887 -1.003 0.275) 1.366 12.510 ( 0.841 -4.360 0.730) 4.500 12.672 ( -1.052 7.574 -1.190) 7.738 12.971 ( -0.361 1.855 0.064) 1.891 13.515 ( 3.202 -3.216 0.662) 4.586 13.592 ( -2.208 1.185 1.014) 2.703 13.623 ( 1.631 -2.796 0.095) 3.238 13.960 ( 10.902 1.281 -6.053) 12.535 14.016 ( -5.879 -5.891 2.231) 8.617 14.154 ( -7.141 1.233 0.678) 7.279 14.609 ( 7.570 1.818 -1.507) 7.929 14.718 ( -8.546 1.327 2.383) 8.970 15.328 ( 0.216 0.316 -0.943) 1.017 15.399 ( 0.757 -0.030 0.836) 1.129 15.825 ( 20.378 0.262 -2.948) 20.591 16.068 ( -19.064 -1.735 2.616) 19.321 16.666 ( 1.657 -2.081 1.343) 2.979 16.940 ( -0.202 2.052 -0.544) 2.133 17.532 ( 0.705 -0.639 0.508) 1.078 17.734 ( 0.273 0.025 1.690) 1.712 18.582 ( 0.437 -2.765 0.194) 2.807 18.864 ( -1.945 4.358 -0.784) 4.836 19.096 ( -0.640 -0.420 0.673) 1.019 19.280 ( -0.815 -7.513 -1.433) 7.692 19.380 ( 2.155 2.500 -1.023) 3.455 19.481 ( -0.426 8.090 1.332) 8.210 19.796 ( 1.210 -0.807 1.620) 2.177 20.167 ( -1.763 -2.058 -1.328) 3.018 20.334 ( -0.766 -1.146 0.850) 1.619 20.433 ( -0.163 0.714 -0.291) 0.788 20.674 ( -1.121 -4.202 -0.917) 4.445 20.967 ( 4.359 5.542 0.857) 7.103 21.581 ( -1.116 -5.501 -2.690) 6.225 21.698 ( -0.626 5.713 1.985) 6.081 22.080 ( -0.866 -1.890 0.035) 2.079 22.092 ( -0.189 -0.252 0.657) 0.729 22.428 ( -0.913 0.453 -0.658) 1.213 22.554 ( 2.549 0.023 -0.970) 2.727 22.686 ( -0.141 0.127 1.322) 1.335 22.839 ( -0.425 0.043 -0.437) 0.611 ======================= Grid point 132 (73/78) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -8.030 -0.000 6.597) 10.392 0.909 ( 0.493 0.000 -3.235) 3.272 1.251 ( -1.976 -0.000 -0.688) 2.093 1.426 ( 0.073 0.000 3.836) 3.836 1.600 ( 6.375 0.000 5.495) 8.416 1.855 ( -0.554 -0.000 2.412) 2.475 1.890 ( -11.898 -0.000 1.559) 12.000 1.977 ( 2.721 0.000 1.712) 3.215 2.194 ( 2.881 0.000 -0.683) 2.961 2.405 ( 4.481 0.000 7.291) 8.558 2.567 ( -1.936 -0.000 -8.070) 8.299 2.920 ( -3.667 -0.000 3.260) 4.907 3.050 ( -11.349 -0.000 -14.617) 18.506 3.322 ( -0.618 -0.000 -6.274) 6.304 3.344 ( 0.425 0.000 -1.540) 1.597 3.421 ( -4.282 -0.000 12.034) 12.774 3.750 ( 10.734 0.000 2.389) 10.997 3.904 ( -5.860 -0.000 -2.984) 6.576 3.924 ( 0.705 0.000 1.632) 1.778 3.993 ( 1.651 0.000 -4.298) 4.604 4.083 ( -7.369 -0.000 6.815) 10.037 4.232 ( -0.207 -0.000 -9.097) 9.099 4.391 ( 18.956 0.000 12.813) 22.880 4.410 ( -0.121 -0.000 6.184) 6.185 4.632 ( -9.593 -0.000 1.323) 9.683 4.652 ( 3.230 0.000 -4.910) 5.877 4.799 ( 8.745 0.000 -3.496) 9.418 4.807 ( -3.957 -0.000 3.283) 5.141 4.976 ( 8.653 0.000 -1.572) 8.795 5.146 ( 0.833 0.000 5.563) 5.625 5.183 ( -0.642 -0.000 0.322) 0.719 5.356 ( 0.154 0.000 -7.592) 7.594 5.510 ( 7.049 0.000 -3.709) 7.965 5.733 ( 1.616 0.000 6.426) 6.626 5.802 ( 9.552 0.000 -1.422) 9.657 6.079 ( -3.919 -0.000 -1.063) 4.060 6.215 ( 1.445 0.000 -1.149) 1.846 6.372 ( 0.728 0.000 -4.064) 4.128 6.513 ( -9.408 -0.000 1.045) 9.466 6.635 ( -6.252 -0.000 -2.648) 6.789 6.687 ( -4.937 -0.000 2.015) 5.332 6.859 ( -2.869 -0.000 -7.811) 8.321 7.144 ( 1.180 0.000 -8.224) 8.309 7.201 ( 0.959 0.000 -1.624) 1.886 7.308 ( 8.335 0.000 0.894) 8.383 7.596 ( -4.717 -0.000 10.917) 11.893 7.843 ( 8.713 0.000 10.159) 13.383 7.918 ( -3.164 -0.000 -9.842) 10.338 8.123 ( 0.853 0.000 3.121) 3.236 8.224 ( 3.884 0.000 0.851) 3.976 8.328 ( 8.779 0.000 -1.481) 8.903 8.538 ( -6.505 -0.000 -3.826) 7.546 8.664 ( -17.299 -0.000 7.129) 18.711 8.721 ( 1.258 0.000 4.959) 5.116 9.204 ( -8.381 -0.000 -3.235) 8.984 9.646 ( 4.524 0.000 -3.094) 5.481 9.887 ( -2.585 -0.000 -2.183) 3.384 9.954 ( 6.211 0.000 -1.883) 6.490 10.129 ( 5.874 0.000 3.720) 6.953 10.251 ( -0.362 -0.000 -1.518) 1.561 10.761 ( 0.467 0.000 0.513) 0.694 11.400 ( -1.806 -0.000 -1.218) 2.178 11.880 ( -2.787 -0.000 1.009) 2.964 12.431 ( 2.793 0.000 -0.102) 2.795 12.878 ( -7.452 -0.000 -2.029) 7.724 13.047 ( -1.726 -0.000 -0.274) 1.747 13.448 ( 10.578 0.000 4.434) 11.470 13.528 ( 5.001 0.000 0.164) 5.004 13.652 ( -2.283 -0.000 0.375) 2.313 13.780 ( -2.758 -0.000 -0.737) 2.855 13.966 ( 8.813 0.000 -7.768) 11.748 14.205 ( -5.027 -0.000 -0.384) 5.041 14.669 ( 3.660 0.000 -2.723) 4.562 14.755 ( -8.675 -0.000 3.815) 9.477 15.331 ( -0.030 -0.000 -0.937) 0.937 15.412 ( 1.009 0.000 2.833) 3.008 15.819 ( 20.839 0.000 -5.699) 21.604 16.027 ( -16.422 -0.000 3.138) 16.719 16.598 ( 0.526 0.000 4.552) 4.582 17.008 ( 0.191 0.000 -1.101) 1.117 17.524 ( 2.405 0.000 1.749) 2.974 17.743 ( 0.454 0.000 5.653) 5.671 18.499 ( -0.888 -0.000 -0.098) 0.893 19.022 ( -2.567 -0.000 -1.728) 3.094 19.062 ( -1.314 -0.000 0.354) 1.361 19.098 ( -4.094 -0.000 -1.381) 4.320 19.420 ( 5.398 0.000 0.448) 5.417 19.751 ( 0.945 0.000 1.178) 1.511 19.897 ( 1.448 0.000 0.906) 1.708 19.912 ( -3.258 -0.000 0.525) 3.300 20.298 ( -3.233 -0.000 0.292) 3.246 20.486 ( 0.752 0.000 0.839) 1.127 20.526 ( 0.898 0.000 -2.977) 3.109 21.207 ( 7.040 0.000 1.845) 7.278 21.391 ( -4.231 -0.000 -4.898) 6.472 21.879 ( -0.727 -0.000 -1.139) 1.352 21.958 ( -3.189 -0.000 4.789) 5.754 22.079 ( 0.297 0.000 0.115) 0.318 22.429 ( -1.870 -0.000 -1.642) 2.488 22.581 ( 5.184 0.000 -2.505) 5.758 22.695 ( 0.626 0.000 2.700) 2.772 22.833 ( -1.631 -0.000 -0.804) 1.819 ======================= Grid point 133 (74/78) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 2.603 -10.103 8.591) 13.515 0.899 ( 0.204 0.321 -2.014) 2.050 1.234 ( -1.640 -1.409 -0.578) 2.238 1.418 ( 0.530 3.728 4.521) 5.884 1.679 ( -8.843 3.158 0.826) 9.426 1.738 ( 3.803 -2.460 1.173) 4.679 1.864 ( -0.833 -0.120 1.800) 1.987 2.022 ( 3.502 1.064 0.620) 3.712 2.206 ( 0.094 0.497 1.107) 1.217 2.460 ( -5.282 0.834 -5.320) 7.543 2.609 ( 1.439 -9.383 6.737) 11.640 2.791 ( 1.235 4.269 -2.531) 5.115 2.995 ( -5.695 -6.759 -6.694) 11.087 3.233 ( -1.133 2.090 -2.494) 3.445 3.465 ( -1.238 -5.195 3.080) 6.165 3.500 ( -1.717 -11.773 2.536) 12.164 3.730 ( -9.566 -0.134 -9.898) 13.766 3.882 ( 8.154 1.541 4.374) 9.380 3.926 ( -7.681 1.449 4.149) 8.850 3.982 ( 1.828 0.541 1.995) 2.759 4.055 ( 0.060 -3.908 -1.481) 4.180 4.225 ( 5.015 2.458 -1.845) 5.882 4.360 ( 5.312 10.745 5.620) 13.239 4.520 ( -0.277 2.558 1.180) 2.830 4.593 ( -0.396 -0.317 -3.559) 3.595 4.653 ( 1.563 3.564 2.076) 4.411 4.817 ( 1.390 -0.229 5.685) 5.857 4.910 ( 7.117 2.928 0.230) 7.699 5.110 ( 7.965 -2.244 -5.358) 9.858 5.171 ( 0.087 -1.355 -3.264) 3.535 5.217 ( -1.307 -4.828 3.515) 6.114 5.439 ( 10.328 -7.875 -0.986) 13.025 5.525 ( 2.673 4.961 -4.987) 7.525 5.734 ( -7.667 1.366 5.483) 9.524 5.792 ( -1.142 4.090 0.470) 4.273 5.987 ( -4.823 -0.156 -6.859) 8.386 6.173 ( -1.765 7.629 6.900) 10.437 6.345 ( 2.722 1.247 0.243) 3.004 6.504 ( 1.627 8.765 -2.387) 9.229 6.550 ( -1.336 -9.322 -0.831) 9.454 6.726 ( 0.906 -8.334 -0.617) 8.406 6.839 ( -0.700 -2.851 -5.106) 5.890 7.108 ( -1.425 -2.781 -10.517) 10.971 7.198 ( 0.718 4.026 2.079) 4.588 7.305 ( 3.719 8.216 6.128) 10.903 7.659 ( -0.969 1.259 -3.585) 3.922 7.817 ( -2.978 -7.192 -2.091) 8.060 8.004 ( -1.398 7.903 -0.097) 8.027 8.027 ( 3.568 4.293 8.863) 10.474 8.214 ( -5.188 -0.204 3.921) 6.506 8.349 ( -1.031 3.181 -1.243) 3.567 8.432 ( 3.799 2.039 0.431) 4.333 8.686 ( 0.117 -9.504 -1.512) 9.625 8.833 ( -1.778 -7.717 7.298) 10.769 9.070 ( -9.076 -0.787 -3.821) 9.879 9.688 ( 2.212 -0.720 -2.895) 3.714 9.814 ( -2.558 2.536 -1.343) 3.844 10.009 ( 5.652 1.849 -1.092) 6.046 10.214 ( -0.704 0.197 4.842) 4.897 10.240 ( 4.429 0.439 -3.672) 5.770 10.770 ( 0.412 0.007 0.430) 0.596 11.364 ( -1.497 0.531 -1.016) 1.885 11.876 ( -1.963 -2.694 0.752) 3.417 12.478 ( 1.904 -1.615 0.275) 2.512 12.740 ( -4.839 4.346 -1.981) 6.799 12.996 ( -1.395 2.728 0.059) 3.065 13.560 ( 4.395 0.559 1.727) 4.755 13.606 ( 1.091 1.266 1.760) 2.427 13.625 ( 3.884 -0.688 -0.803) 4.025 13.842 ( -3.153 -7.918 1.436) 8.643 14.035 ( 2.836 -1.132 -2.168) 3.745 14.162 ( 6.968 2.381 -6.830) 10.044 14.636 ( -9.923 1.553 3.333) 10.582 14.705 ( 4.717 0.021 -2.389) 5.288 15.332 ( 0.139 0.061 0.856) 0.869 15.421 ( 0.415 1.520 1.092) 1.918 15.793 ( -17.296 -1.273 2.389) 17.506 16.097 ( 19.169 -0.123 -5.344) 19.900 16.632 ( -1.612 -1.855 5.940) 6.428 16.982 ( 0.037 2.292 -1.605) 2.799 17.560 ( 2.223 0.601 1.557) 2.780 17.760 ( -0.279 1.161 4.621) 4.772 18.519 ( -0.765 -3.607 0.138) 3.689 18.913 ( -2.377 5.162 -1.237) 5.817 19.054 ( -2.122 -1.483 1.366) 2.928 19.135 ( -1.455 -6.831 -2.334) 7.364 19.460 ( 3.694 2.172 -0.461) 4.310 19.664 ( -0.254 12.011 0.358) 12.019 19.789 ( -1.161 -0.350 1.751) 2.130 20.084 ( 1.572 -8.136 0.695) 8.316 20.280 ( -2.207 -2.225 0.347) 3.153 20.471 ( 1.507 2.115 0.032) 2.597 20.572 ( -0.495 -3.955 -1.189) 4.159 21.141 ( 0.368 9.611 -1.836) 9.792 21.444 ( -0.004 -7.796 -1.789) 7.999 21.796 ( -0.618 5.500 0.968) 5.618 22.008 ( -1.520 -4.382 2.730) 5.382 22.092 ( 0.831 -0.657 -0.165) 1.072 22.404 ( -1.296 -0.379 -1.093) 1.737 22.616 ( 3.781 2.053 -1.687) 4.621 22.701 ( 0.108 0.930 1.001) 1.370 22.817 ( -1.478 -1.093 -0.141) 1.844 ======================= Grid point 134 (75/78) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.195 0.173 0.557) 0.615 1.023 ( 1.939 -5.807 3.169) 6.894 1.243 ( -2.097 1.772 -0.306) 2.762 1.280 ( -3.573 3.376 -1.208) 5.062 1.656 ( 0.976 -3.666 1.385) 4.038 1.810 ( 2.336 0.754 -1.233) 2.747 1.878 ( 1.111 -1.794 1.861) 2.814 2.031 ( 3.627 2.590 -1.547) 4.718 2.169 ( -3.901 1.380 0.521) 4.171 2.372 ( -4.494 -2.196 -2.987) 5.826 2.697 ( -1.444 -1.870 -0.700) 2.464 2.879 ( 5.858 -0.454 6.499) 8.761 3.063 ( -0.803 -7.558 -2.879) 8.128 3.222 ( 2.272 -2.429 -2.840) 4.373 3.482 ( -4.219 -0.514 1.542) 4.521 3.573 ( -9.616 -1.024 -2.552) 10.002 3.741 ( 1.930 -11.684 -0.654) 11.860 3.841 ( -4.297 -1.288 1.535) 4.741 3.958 ( 1.173 4.067 -0.946) 4.337 4.019 ( 7.385 -2.723 -4.778) 9.208 4.125 ( 4.557 0.317 6.558) 7.992 4.227 ( -4.238 -0.233 2.278) 4.818 4.308 ( 6.099 5.985 12.570) 15.199 4.459 ( 3.984 4.010 -8.207) 9.965 4.510 ( -3.229 6.467 -3.493) 8.028 4.667 ( 0.929 -1.296 3.238) 3.609 4.781 ( -2.297 3.248 -2.102) 4.499 4.898 ( 3.072 6.955 2.767) 8.091 5.112 ( -1.078 0.637 -4.704) 4.867 5.192 ( -3.622 0.246 -1.053) 3.780 5.255 ( 3.129 -1.040 -2.954) 4.427 5.409 ( -0.282 2.227 -5.742) 6.166 5.533 ( -8.389 4.992 2.465) 10.069 5.787 ( 9.960 -4.289 2.190) 11.063 5.835 ( 2.422 -4.140 -0.981) 4.895 5.901 ( -3.764 1.663 3.516) 5.413 6.022 ( -5.659 4.843 3.946) 8.429 6.229 ( -0.882 5.474 -0.677) 5.586 6.554 ( 10.038 -0.316 0.311) 10.047 6.726 ( -0.083 -7.155 4.058) 8.226 6.874 ( 3.691 -6.825 -4.316) 8.879 6.906 ( -0.052 -5.986 -1.811) 6.254 7.078 ( 0.727 1.846 -0.307) 2.008 7.138 ( -1.881 -0.115 -1.763) 2.581 7.297 ( 4.881 1.778 1.977) 5.559 7.498 ( 0.084 8.166 -8.734) 11.957 7.658 ( -17.558 6.983 8.235) 20.612 7.950 ( -1.481 -0.666 -4.865) 5.129 8.091 ( -1.509 -0.805 4.265) 4.595 8.157 ( 2.873 -1.343 1.362) 3.452 8.371 ( -0.215 -0.795 0.080) 0.828 8.520 ( 14.068 0.795 -1.563) 14.177 8.790 ( -6.957 1.813 1.627) 7.371 8.862 ( 2.294 -4.967 0.233) 5.476 9.088 ( -6.544 -10.203 0.128) 12.122 9.693 ( 2.059 1.194 -0.382) 2.410 9.759 ( -2.063 0.077 -0.953) 2.274 10.029 ( 4.006 2.779 0.314) 4.885 10.199 ( 1.059 0.919 -1.727) 2.225 10.237 ( -1.690 3.066 1.414) 3.776 10.772 ( 0.148 0.325 0.142) 0.384 11.352 ( -0.251 -0.908 -0.188) 0.961 11.916 ( -0.308 -2.878 0.153) 2.898 12.542 ( 1.234 -3.264 0.713) 3.562 12.611 ( -2.332 3.801 -1.326) 4.653 12.948 ( -0.854 0.590 -0.021) 1.039 13.569 ( 0.058 3.881 0.743) 3.952 13.612 ( 2.716 -0.606 -0.791) 2.893 13.654 ( 0.586 1.207 -0.010) 1.341 13.841 ( -6.469 0.134 2.112) 6.806 14.132 ( 5.368 -3.481 2.316) 6.804 14.225 ( 8.034 1.353 -6.965) 10.719 14.507 ( -7.304 0.583 2.168) 7.641 14.774 ( 4.785 -1.891 -1.484) 5.355 15.334 ( -0.945 0.983 4.466) 4.669 15.383 ( -1.219 0.648 -3.149) 3.438 15.613 ( -12.338 0.470 1.432) 12.429 16.302 ( 14.505 -0.640 -3.811) 15.011 16.636 ( -4.463 0.743 3.850) 5.941 16.941 ( 0.372 1.081 -1.024) 1.535 17.561 ( 0.806 2.195 0.573) 2.407 17.740 ( -0.529 1.534 0.841) 1.827 18.578 ( -0.623 -2.645 0.205) 2.725 18.835 ( -0.066 0.179 -0.145) 0.239 19.067 ( -1.314 -1.956 0.457) 2.400 19.254 ( -0.248 -8.987 -0.903) 9.036 19.438 ( 2.900 6.244 -2.183) 7.223 19.474 ( -1.518 7.119 2.498) 7.696 19.776 ( -1.741 0.133 -0.643) 1.860 20.215 ( 3.543 -1.675 2.297) 4.542 20.313 ( -0.971 -3.335 -1.053) 3.630 20.464 ( 2.179 1.866 0.468) 2.907 20.634 ( -2.188 -6.863 0.342) 7.212 20.952 ( -2.593 9.128 -2.337) 9.773 21.575 ( 1.027 -7.010 -0.172) 7.087 21.707 ( 0.173 5.184 0.512) 5.212 22.062 ( -0.619 -2.399 0.866) 2.625 22.116 ( 1.168 -0.355 -0.065) 1.222 22.407 ( -0.450 -1.640 -0.066) 1.702 22.581 ( -0.083 4.016 0.295) 4.028 22.690 ( 0.468 0.606 -1.336) 1.540 22.830 ( -0.261 -1.327 0.536) 1.455 ======================= Grid point 135 (76/78) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 0.221 0.000) 0.221 1.101 ( 0.000 8.006 0.000) 8.006 1.132 ( 0.000 -6.947 0.000) 6.947 1.289 ( -0.000 -0.878 0.000) 0.878 1.738 ( -0.000 -4.385 0.000) 4.385 1.758 ( 0.000 5.672 0.000) 5.672 1.929 ( 0.000 -0.900 0.000) 0.900 2.023 ( 0.000 0.523 0.000) 0.523 2.127 ( 0.000 -0.116 0.000) 0.116 2.393 ( 0.000 -3.074 0.000) 3.074 2.676 ( 0.000 2.737 0.000) 2.737 2.908 ( 0.000 2.972 0.000) 2.972 3.161 ( -0.000 -8.348 0.000) 8.348 3.316 ( 0.000 -2.560 0.000) 2.560 3.407 ( -0.000 2.157 0.000) 2.157 3.549 ( 0.000 -2.765 0.000) 2.765 3.743 ( 0.000 11.222 0.000) 11.222 3.864 ( 0.000 -4.407 0.000) 4.407 3.970 ( 0.000 0.044 0.000) 0.044 4.082 ( -0.000 9.629 0.000) 9.629 4.127 ( 0.000 5.255 0.000) 5.255 4.221 ( -0.000 6.846 0.000) 6.846 4.257 ( -0.000 -10.319 0.000) 10.319 4.449 ( 0.000 -6.179 0.000) 6.179 4.472 ( -0.000 -4.050 -0.000) 4.050 4.656 ( -0.000 0.959 0.000) 0.959 4.776 ( 0.000 -2.208 0.000) 2.208 4.794 ( 0.000 7.202 0.000) 7.202 5.079 ( -0.000 1.420 0.000) 1.420 5.102 ( 0.000 6.148 0.000) 6.148 5.282 ( 0.000 -0.772 0.000) 0.772 5.351 ( -0.000 3.368 0.000) 3.368 5.437 ( 0.000 1.018 0.000) 1.018 5.693 ( -0.000 11.260 0.000) 11.260 5.892 ( 0.000 0.043 0.000) 0.043 5.927 ( -0.000 -2.830 0.000) 2.830 6.003 ( 0.000 -4.803 0.000) 4.803 6.309 ( 0.000 -11.052 0.000) 11.052 6.585 ( -0.000 4.494 0.000) 4.494 6.813 ( 0.000 -3.566 -0.000) 3.566 6.902 ( 0.000 5.176 0.000) 5.176 7.012 ( 0.000 -4.287 0.000) 4.287 7.070 ( 0.000 0.453 0.000) 0.453 7.234 ( -0.000 -6.737 0.000) 6.737 7.269 ( 0.000 10.083 0.000) 10.083 7.376 ( -0.000 -5.699 0.000) 5.699 7.532 ( 0.000 -4.783 0.000) 4.783 7.929 ( -0.000 -2.537 0.000) 2.537 8.069 ( 0.000 4.863 0.000) 4.863 8.204 ( 0.000 -1.505 0.000) 1.505 8.335 ( 0.000 6.203 0.000) 6.203 8.584 ( 0.000 1.341 0.000) 1.341 8.753 ( -0.000 -3.351 0.000) 3.351 9.039 ( -0.000 -11.636 0.000) 11.636 9.079 ( 0.000 5.412 0.000) 5.412 9.707 ( -0.000 3.337 0.000) 3.337 9.762 ( 0.000 -6.088 0.000) 6.088 10.005 ( -0.000 4.286 0.000) 4.286 10.132 ( 0.000 5.466 -0.000) 5.466 10.209 ( -0.000 -1.503 0.000) 1.503 10.765 ( 0.000 0.549 0.000) 0.549 11.380 ( 0.000 -2.142 0.000) 2.142 11.945 ( -0.000 -0.220 0.000) 0.220 12.492 ( 0.000 5.447 0.000) 5.447 12.688 ( 0.000 -10.108 0.000) 10.108 12.966 ( 0.000 -3.367 0.000) 3.367 13.480 ( -0.000 6.447 0.000) 6.447 13.586 ( 0.000 5.342 0.000) 5.342 13.636 ( -0.000 0.453 0.000) 0.453 13.820 ( 0.000 -2.704 0.000) 2.704 14.118 ( 0.000 9.622 0.000) 9.622 14.292 ( 0.000 -3.559 0.000) 3.559 14.488 ( 0.000 -3.287 0.000) 3.287 14.856 ( -0.000 -2.966 0.000) 2.966 15.321 ( 0.000 -0.586 -0.000) 0.586 15.370 ( 0.000 -0.218 0.000) 0.218 15.502 ( 0.000 2.414 0.000) 2.414 16.421 ( -0.000 0.740 0.000) 0.740 16.539 ( 0.000 3.616 0.000) 3.616 16.953 ( 0.000 -1.889 0.000) 1.889 17.521 ( 0.000 2.481 0.000) 2.481 17.717 ( 0.000 0.812 0.000) 0.812 18.570 ( 0.000 2.210 0.000) 2.210 18.908 ( -0.000 -6.672 0.000) 6.672 19.088 ( 0.000 -1.275 0.000) 1.275 19.301 ( 0.000 7.362 0.000) 7.362 19.362 ( -0.000 0.225 0.000) 0.225 19.479 ( 0.000 -8.698 0.000) 8.698 19.751 ( 0.000 0.870 0.000) 0.870 20.225 ( -0.000 3.762 0.000) 3.762 20.341 ( -0.000 -0.873 0.000) 0.873 20.452 ( -0.000 0.936 0.000) 0.936 20.753 ( 0.000 9.709 0.000) 9.709 20.797 ( -0.000 -11.641 0.000) 11.641 21.618 ( -0.000 5.618 0.000) 5.618 21.704 ( 0.000 -7.048 0.000) 7.048 22.081 ( -0.000 -0.241 0.000) 0.241 22.117 ( 0.000 1.734 0.000) 1.734 22.444 ( 0.000 -2.782 0.000) 2.782 22.513 ( 0.000 2.997 0.000) 2.997 22.678 ( -0.000 0.620 0.000) 0.620 22.849 ( 0.000 -0.728 0.000) 0.728 ======================= Grid point 139 (77/78) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 9.383 0.000 5.140) 10.698 0.907 ( 3.611 0.000 3.150) 4.792 1.194 ( -1.392 -0.000 -0.467) 1.468 1.408 ( -10.987 -0.000 1.084) 11.040 1.622 ( -2.120 -0.000 0.895) 2.301 1.785 ( 4.824 0.000 0.606) 4.861 1.855 ( -1.628 -0.000 2.696) 3.150 2.094 ( 4.959 0.000 0.559) 4.991 2.205 ( -2.702 -0.000 0.767) 2.808 2.351 ( -6.478 -0.000 -7.015) 9.548 2.543 ( -2.620 -0.000 6.674) 7.169 2.800 ( 3.337 0.000 -8.409) 9.047 2.921 ( 1.735 0.000 3.070) 3.527 3.270 ( -1.316 -0.000 1.672) 2.128 3.376 ( 2.139 0.000 -0.964) 2.346 3.399 ( -3.203 -0.000 5.619) 6.468 3.541 ( -9.060 -0.000 -10.236) 13.670 3.851 ( -6.161 -0.000 2.712) 6.732 3.939 ( -1.543 -0.000 1.700) 2.296 3.953 ( 0.683 0.000 -0.891) 1.122 4.167 ( 13.568 0.000 -4.124) 14.180 4.310 ( 3.387 0.000 0.559) 3.433 4.376 ( -9.726 -0.000 4.451) 10.697 4.609 ( 6.500 0.000 -4.745) 8.047 4.718 ( 3.257 0.000 2.838) 4.320 4.742 ( -1.797 -0.000 5.275) 5.573 4.790 ( 6.491 0.000 2.199) 6.854 5.050 ( 5.745 0.000 -0.915) 5.817 5.108 ( -2.664 -0.000 -3.181) 4.149 5.162 ( -2.770 -0.000 2.615) 3.810 5.187 ( 5.837 0.000 -0.166) 5.840 5.515 ( 12.869 0.000 2.255) 13.066 5.558 ( -0.486 -0.000 -4.707) 4.732 5.692 ( -10.416 -0.000 12.518) 16.285 5.817 ( -2.612 -0.000 -16.773) 16.975 5.846 ( -1.673 -0.000 -1.332) 2.138 6.208 ( -7.716 -0.000 4.336) 8.851 6.387 ( 5.137 0.000 -4.736) 6.987 6.508 ( -5.753 -0.000 1.873) 6.050 6.557 ( 7.528 0.000 10.189) 12.668 6.683 ( 4.564 0.000 -2.097) 5.022 6.849 ( 3.756 0.000 -2.761) 4.662 6.987 ( -4.022 -0.000 -11.899) 12.561 7.235 ( -1.595 -0.000 0.129) 1.601 7.568 ( -3.174 -0.000 12.368) 12.769 7.575 ( 13.092 0.000 -2.507) 13.330 7.686 ( -4.230 -0.000 -11.748) 12.487 8.024 ( -7.892 -0.000 6.472) 10.206 8.098 ( -1.297 -0.000 -0.446) 1.372 8.300 ( -6.552 -0.000 4.835) 8.143 8.337 ( 2.712 0.000 1.924) 3.325 8.445 ( -1.335 -0.000 -0.279) 1.364 8.555 ( 7.879 0.000 -0.530) 7.897 8.754 ( -2.905 -0.000 1.077) 3.098 8.983 ( -4.469 -0.000 -1.447) 4.697 9.687 ( 0.927 0.000 -1.715) 1.949 9.800 ( -1.866 -0.000 -1.393) 2.328 10.081 ( 3.394 0.000 -1.019) 3.544 10.222 ( -0.686 -0.000 1.867) 1.990 10.297 ( 3.711 0.000 -0.752) 3.787 10.778 ( 0.340 0.000 0.328) 0.473 11.344 ( -1.209 -0.000 -0.813) 1.457 11.828 ( -1.411 -0.000 0.583) 1.527 12.491 ( 1.415 0.000 0.048) 1.416 12.705 ( -3.651 -0.000 -1.180) 3.837 13.007 ( -1.054 -0.000 -0.044) 1.055 13.631 ( 2.857 0.000 -0.374) 2.882 13.645 ( 1.052 0.000 1.621) 1.932 13.688 ( 2.497 0.000 0.862) 2.641 13.705 ( -2.269 -0.000 -0.146) 2.274 14.070 ( 3.781 0.000 3.071) 4.871 14.263 ( 10.849 0.000 -11.906) 16.108 14.530 ( -11.083 -0.000 4.541) 11.977 14.729 ( 1.952 0.000 -1.527) 2.478 15.341 ( 0.539 0.000 0.413) 0.679 15.459 ( 0.641 0.000 1.560) 1.687 15.599 ( -11.700 -0.000 2.173) 11.900 16.249 ( 8.951 0.000 -5.375) 10.441 16.657 ( 2.753 0.000 5.740) 6.366 16.984 ( -1.541 -0.000 -1.437) 2.107 17.600 ( 1.682 0.000 1.139) 2.031 17.788 ( -0.648 -0.000 3.977) 4.030 18.472 ( -0.857 -0.000 -0.113) 0.864 18.959 ( -1.070 -0.000 -0.547) 1.202 19.013 ( -1.572 -0.000 -0.602) 1.683 19.027 ( -1.062 -0.000 -0.274) 1.097 19.513 ( 1.677 0.000 -0.293) 1.702 19.764 ( -0.763 -0.000 0.712) 1.044 19.851 ( -0.905 -0.000 0.227) 0.933 19.962 ( 2.054 0.000 1.009) 2.288 20.239 ( -1.163 -0.000 0.118) 1.169 20.511 ( 0.385 0.000 0.685) 0.785 20.537 ( 0.918 0.000 -1.381) 1.658 21.217 ( -4.057 -0.000 -3.431) 5.314 21.364 ( 3.239 0.000 0.847) 3.348 21.850 ( -0.573 -0.000 -0.698) 0.903 21.954 ( -0.700 -0.000 3.162) 3.239 22.096 ( 0.801 0.000 -0.081) 0.805 22.383 ( -0.664 -0.000 -0.737) 0.992 22.680 ( 3.770 0.000 -2.216) 4.373 22.723 ( 0.036 0.000 1.382) 1.382 22.771 ( -2.591 -0.000 0.092) 2.592 ======================= Grid point 140 (78/78) ======================= q-point: (-0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 0.114 -0.000) 0.114 1.025 ( 0.000 0.517 -0.000) 0.517 1.213 ( -0.000 -2.785 -0.000) 2.785 1.275 ( 0.000 1.443 -0.000) 1.443 1.629 ( 0.000 -0.969 -0.000) 0.969 1.838 ( -0.000 0.476 -0.000) 0.476 1.847 ( 0.000 -2.163 -0.000) 2.163 2.123 ( -0.000 3.464 -0.000) 3.464 2.150 ( 0.000 0.874 -0.000) 0.874 2.298 ( 0.000 -1.267 -0.000) 1.267 2.597 ( 0.000 -6.174 -0.000) 6.174 2.897 ( 0.000 -6.533 -0.000) 6.533 2.955 ( 0.000 -2.370 -0.000) 2.370 3.217 ( 0.000 1.865 -0.000) 1.865 3.417 ( -0.000 -2.648 0.000) 2.648 3.473 ( 0.000 -1.993 -0.000) 1.993 3.528 ( 0.000 -12.349 -0.000) 12.349 3.802 ( 0.000 1.021 -0.000) 1.021 3.961 ( 0.000 -2.369 -0.000) 2.369 4.006 ( -0.000 -6.485 -0.000) 6.485 4.135 ( 0.000 9.082 -0.000) 9.082 4.261 ( 0.000 1.358 -0.000) 1.358 4.498 ( 0.000 -8.279 -0.000) 8.279 4.583 ( 0.000 9.550 -0.000) 9.550 4.585 ( -0.000 5.703 0.000) 5.703 4.725 ( 0.000 12.218 -0.000) 12.218 4.831 ( 0.000 -0.507 0.000) 0.507 5.024 ( 0.000 5.100 -0.000) 5.100 5.088 ( 0.000 -0.466 -0.000) 0.466 5.156 ( 0.000 -0.330 -0.000) 0.330 5.250 ( 0.000 -2.308 -0.000) 2.308 5.425 ( 0.000 5.313 -0.000) 5.313 5.617 ( 0.000 7.496 -0.000) 7.496 5.755 ( 0.000 -9.188 0.000) 9.188 5.786 ( 0.000 -6.563 -0.000) 6.563 5.837 ( 0.000 -0.709 -0.000) 0.709 6.074 ( 0.000 7.350 -0.000) 7.350 6.417 ( 0.000 9.269 -0.000) 9.269 6.545 ( 0.000 -8.794 -0.000) 8.794 6.635 ( -0.000 -6.067 -0.000) 6.067 6.763 ( 0.000 -2.674 -0.000) 2.674 6.827 ( 0.000 0.675 -0.000) 0.675 6.995 ( 0.000 -6.687 -0.000) 6.687 7.182 ( 0.000 4.283 -0.000) 4.283 7.506 ( 0.000 7.853 -0.000) 7.853 7.546 ( 0.000 4.876 -0.000) 4.876 7.686 ( -0.000 4.845 0.000) 4.845 8.004 ( 0.000 -6.464 -0.000) 6.464 8.006 ( -0.000 8.594 0.000) 8.594 8.210 ( 0.000 4.479 -0.000) 4.479 8.319 ( 0.000 -4.596 -0.000) 4.596 8.596 ( 0.000 -5.478 -0.000) 5.478 8.712 ( 0.000 0.032 -0.000) 0.032 8.788 ( -0.000 -16.962 -0.000) 16.962 8.906 ( 0.000 4.791 -0.000) 4.791 9.706 ( -0.000 -1.680 -0.000) 1.680 9.761 ( 0.000 2.556 -0.000) 2.556 10.090 ( 0.000 1.231 -0.000) 1.231 10.216 ( 0.000 0.611 -0.000) 0.611 10.294 ( 0.000 2.976 -0.000) 2.976 10.779 ( 0.000 0.207 -0.000) 0.207 11.337 ( 0.000 -0.348 -0.000) 0.348 11.852 ( 0.000 -3.415 -0.000) 3.415 12.508 ( 0.000 -1.216 -0.000) 1.216 12.654 ( 0.000 2.760 -0.000) 2.760 12.976 ( 0.000 2.489 -0.000) 2.489 13.605 ( 0.000 0.406 -0.000) 0.406 13.634 ( 0.000 2.754 -0.000) 2.754 13.682 ( 0.000 0.829 -0.000) 0.829 13.792 ( 0.000 -4.317 -0.000) 4.317 14.113 ( 0.000 -1.289 -0.000) 1.289 14.310 ( 0.000 1.743 -0.000) 1.743 14.453 ( 0.000 -0.559 -0.000) 0.559 14.760 ( 0.000 -2.224 -0.000) 2.224 15.350 ( 0.000 -0.477 -0.000) 0.477 15.408 ( 0.000 4.762 0.000) 4.762 15.543 ( 0.000 -0.632 -0.000) 0.632 16.327 ( 0.000 -3.948 -0.000) 3.948 16.672 ( 0.000 2.987 -0.000) 2.987 16.956 ( 0.000 0.977 -0.000) 0.977 17.603 ( 0.000 1.305 -0.000) 1.305 17.773 ( 0.000 1.999 -0.000) 1.999 18.505 ( 0.000 -4.156 -0.000) 4.156 18.877 ( 0.000 4.530 -0.000) 4.530 19.030 ( 0.000 -1.261 -0.000) 1.261 19.102 ( 0.000 -7.806 -0.000) 7.806 19.505 ( 0.000 1.957 -0.000) 1.957 19.665 ( 0.000 12.638 -0.000) 12.638 19.763 ( 0.000 0.090 -0.000) 0.090 20.150 ( 0.000 -11.582 -0.000) 11.582 20.241 ( 0.000 -0.840 -0.000) 0.840 20.523 ( 0.000 1.816 0.000) 1.816 20.530 ( -0.000 -2.169 -0.000) 2.169 21.090 ( 0.000 8.556 -0.000) 8.556 21.462 ( 0.000 -6.684 -0.000) 6.684 21.793 ( 0.000 4.590 -0.000) 4.590 22.003 ( 0.000 -3.877 -0.000) 3.877 22.110 ( 0.000 -0.898 -0.000) 0.898 22.383 ( 0.000 -0.667 -0.000) 0.667 22.662 ( 0.000 4.698 -0.000) 4.698 22.700 ( 0.000 0.481 -0.000) 0.481 22.794 ( 0.000 -2.633 -0.000) 2.633 =================== 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 3/25500 10.0 19.702 29.289 25.095 0.000 7.061 0.000 3/25500 20.0 6.335 9.044 7.296 0.000 1.445 0.000 3/25500 30.0 3.876 5.189 4.512 0.000 0.622 0.000 3/25500 40.0 2.970 3.807 3.556 0.000 0.330 0.000 3/25500 50.0 2.500 3.117 3.057 0.000 0.194 0.000 3/25500 60.0 2.201 2.689 2.724 0.000 0.120 0.000 3/25500 70.0 1.985 2.384 2.470 0.000 0.076 0.000 3/25500 80.0 1.816 2.149 2.265 0.000 0.046 0.000 3/25500 90.0 1.677 1.958 2.093 0.000 0.025 0.000 3/25500 100.0 1.559 1.799 1.946 0.000 0.010 0.000 3/25500 110.0 1.457 1.664 1.819 0.000 -0.001 0.000 3/25500 120.0 1.368 1.548 1.707 0.000 -0.010 0.000 3/25500 130.0 1.289 1.446 1.609 -0.000 -0.017 0.000 3/25500 140.0 1.219 1.358 1.521 -0.000 -0.022 0.000 3/25500 150.0 1.157 1.279 1.443 -0.000 -0.026 0.000 3/25500 160.0 1.101 1.210 1.372 -0.000 -0.028 0.000 3/25500 170.0 1.050 1.147 1.308 -0.000 -0.030 0.000 3/25500 180.0 1.004 1.091 1.250 -0.000 -0.032 0.000 3/25500 190.0 0.962 1.041 1.197 -0.000 -0.033 0.000 3/25500 200.0 0.923 0.995 1.148 -0.000 -0.034 0.000 3/25500 210.0 0.888 0.953 1.103 -0.000 -0.034 0.000 3/25500 220.0 0.855 0.915 1.062 -0.000 -0.034 0.000 3/25500 230.0 0.825 0.879 1.023 -0.000 -0.034 0.000 3/25500 240.0 0.796 0.847 0.987 -0.000 -0.034 0.000 3/25500 250.0 0.770 0.817 0.954 -0.000 -0.034 0.000 3/25500 260.0 0.745 0.789 0.923 -0.000 -0.033 0.000 3/25500 270.0 0.722 0.762 0.893 -0.000 -0.033 0.000 3/25500 280.0 0.700 0.738 0.866 -0.000 -0.033 0.000 3/25500 290.0 0.680 0.715 0.840 -0.000 -0.032 0.000 3/25500 300.0 0.661 0.693 0.815 -0.000 -0.032 0.000 3/25500 310.0 0.642 0.673 0.792 -0.000 -0.031 0.000 3/25500 320.0 0.625 0.654 0.770 -0.000 -0.031 0.000 3/25500 330.0 0.608 0.636 0.750 -0.000 -0.030 0.000 3/25500 340.0 0.593 0.619 0.730 -0.000 -0.030 0.000 3/25500 350.0 0.578 0.603 0.711 -0.000 -0.029 0.000 3/25500 360.0 0.564 0.587 0.693 -0.000 -0.029 0.000 3/25500 370.0 0.550 0.573 0.676 -0.000 -0.028 0.000 3/25500 380.0 0.538 0.559 0.660 -0.000 -0.028 0.000 3/25500 390.0 0.525 0.546 0.645 -0.000 -0.027 0.000 3/25500 400.0 0.513 0.533 0.630 -0.000 -0.027 0.000 3/25500 410.0 0.502 0.521 0.616 -0.000 -0.026 0.000 3/25500 420.0 0.491 0.509 0.603 -0.000 -0.026 0.000 3/25500 430.0 0.481 0.498 0.590 -0.000 -0.025 0.000 3/25500 440.0 0.471 0.488 0.577 -0.000 -0.025 0.000 3/25500 450.0 0.462 0.478 0.565 -0.000 -0.024 0.000 3/25500 460.0 0.452 0.468 0.554 -0.000 -0.024 0.000 3/25500 470.0 0.444 0.458 0.543 -0.000 -0.023 0.000 3/25500 480.0 0.435 0.449 0.532 -0.000 -0.023 0.000 3/25500 490.0 0.427 0.441 0.522 -0.000 -0.023 0.000 3/25500 500.0 0.419 0.433 0.513 -0.000 -0.022 0.000 3/25500 510.0 0.411 0.424 0.503 -0.000 -0.022 0.000 3/25500 520.0 0.404 0.417 0.494 -0.000 -0.022 0.000 3/25500 530.0 0.397 0.409 0.485 -0.000 -0.021 0.000 3/25500 540.0 0.390 0.402 0.477 -0.000 -0.021 0.000 3/25500 550.0 0.383 0.395 0.468 -0.000 -0.021 0.000 3/25500 560.0 0.377 0.388 0.461 -0.000 -0.020 0.000 3/25500 570.0 0.371 0.382 0.453 -0.000 -0.020 0.000 3/25500 580.0 0.365 0.376 0.445 -0.000 -0.020 0.000 3/25500 590.0 0.359 0.369 0.438 -0.000 -0.019 0.000 3/25500 600.0 0.353 0.364 0.431 -0.000 -0.019 0.000 3/25500 610.0 0.348 0.358 0.425 -0.000 -0.019 0.000 3/25500 620.0 0.343 0.352 0.418 -0.000 -0.019 0.000 3/25500 630.0 0.337 0.347 0.412 -0.000 -0.018 0.000 3/25500 640.0 0.332 0.342 0.405 -0.000 -0.018 0.000 3/25500 650.0 0.328 0.337 0.399 -0.000 -0.018 0.000 3/25500 660.0 0.323 0.332 0.394 -0.000 -0.018 0.000 3/25500 670.0 0.318 0.327 0.388 -0.000 -0.017 0.000 3/25500 680.0 0.314 0.322 0.383 -0.000 -0.017 0.000 3/25500 690.0 0.309 0.318 0.377 -0.000 -0.017 0.000 3/25500 700.0 0.305 0.313 0.372 -0.000 -0.017 0.000 3/25500 710.0 0.301 0.309 0.367 -0.000 -0.016 0.000 3/25500 720.0 0.297 0.305 0.362 -0.000 -0.016 0.000 3/25500 730.0 0.293 0.301 0.357 -0.000 -0.016 0.000 3/25500 740.0 0.289 0.297 0.353 -0.000 -0.016 0.000 3/25500 750.0 0.286 0.293 0.348 -0.000 -0.016 0.000 3/25500 760.0 0.282 0.289 0.344 -0.000 -0.015 0.000 3/25500 770.0 0.279 0.286 0.339 -0.000 -0.015 0.000 3/25500 780.0 0.275 0.282 0.335 -0.000 -0.015 0.000 3/25500 790.0 0.272 0.279 0.331 -0.000 -0.015 0.000 3/25500 800.0 0.268 0.275 0.327 -0.000 -0.015 0.000 3/25500 810.0 0.265 0.272 0.323 -0.000 -0.015 0.000 3/25500 820.0 0.262 0.269 0.319 -0.000 -0.014 0.000 3/25500 830.0 0.259 0.266 0.315 -0.000 -0.014 0.000 3/25500 840.0 0.256 0.263 0.312 -0.000 -0.014 0.000 3/25500 850.0 0.253 0.260 0.308 -0.000 -0.014 0.000 3/25500 860.0 0.250 0.257 0.305 -0.000 -0.014 0.000 3/25500 870.0 0.248 0.254 0.301 -0.000 -0.014 0.000 3/25500 880.0 0.245 0.251 0.298 -0.000 -0.013 0.000 3/25500 890.0 0.242 0.248 0.295 -0.000 -0.013 0.000 3/25500 900.0 0.240 0.245 0.291 -0.000 -0.013 0.000 3/25500 910.0 0.237 0.243 0.288 -0.000 -0.013 0.000 3/25500 920.0 0.234 0.240 0.285 -0.000 -0.013 0.000 3/25500 930.0 0.232 0.238 0.282 -0.000 -0.013 0.000 3/25500 940.0 0.230 0.235 0.279 -0.000 -0.013 0.000 3/25500 950.0 0.227 0.233 0.276 -0.000 -0.013 0.000 3/25500 960.0 0.225 0.230 0.274 -0.000 -0.012 0.000 3/25500 970.0 0.223 0.228 0.271 -0.000 -0.012 0.000 3/25500 980.0 0.220 0.226 0.268 -0.000 -0.012 0.000 3/25500 990.0 0.218 0.224 0.265 -0.000 -0.012 0.000 3/25500 1000.0 0.216 0.221 0.263 -0.000 -0.012 0.000 3/25500 Thermal conductivity related properties were written into "kappa-m5510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:46:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|