----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:05:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.282566740092376 0.000000000000000 0.000000000000000 b 0.000000000000000 7.320087150000082 0.000000000000000 c -4.117498962801862 0.000000000000000 13.914442219170548 Atomic positions (fractional): *1 O 0.10205254956910 0.57234195657165 0.89480770366634 15.999 2 O 0.89794745043090 0.07234195657165 0.60519229633366 15.999 3 O 0.89794745043090 0.42765804342835 0.10519229633366 15.999 4 O 0.10205254956910 0.92765804342835 0.39480770366634 15.999 *5 O 0.49419458289268 0.70249036337208 0.11295105482851 15.999 6 O 0.50580541710732 0.20249036337208 0.38704894517149 15.999 7 O 0.50580541710732 0.29750963662792 0.88704894517149 15.999 8 O 0.49419458289268 0.79750963662792 0.61295105482851 15.999 *9 O 0.36304275659507 0.16012655738675 0.12844405845784 15.999 10 O 0.63695724340493 0.66012655738675 0.37155594154216 15.999 11 O 0.63695724340493 0.83987344261325 0.87155594154216 15.999 12 O 0.36304275659507 0.33987344261325 0.62844405845784 15.999 *13 O 0.96038855008664 0.46806896092589 0.36355679354528 15.999 14 O 0.03961144991336 0.96806896092589 0.13644320645472 15.999 15 O 0.03961144991336 0.53193103907411 0.63644320645472 15.999 16 O 0.96038855008664 0.03193103907411 0.86355679354528 15.999 *17 Cu 0.43106463896547 0.92716966181539 0.12680720779642 63.546 *18 Cu 0.07059212252083 0.95267935463406 0.26623354877349 63.546 19 Cu 0.92940787747917 0.04732064536593 0.73376645122651 63.546 20 Cu 0.07059212252083 0.54732064536594 0.76623354877349 63.546 *21 Cu 0.43492235538051 0.31908654026890 0.75899116343545 63.546 22 Cu 0.56507764461949 0.81908654026890 0.74100883656455 63.546 23 Cu 0.56507764461949 0.68091345973110 0.24100883656455 63.546 24 Cu 0.43492235538051 0.18091345973110 0.25899116343545 63.546 *25 Cu 0.97034365152278 0.20125134964349 0.12486628180495 63.546 26 Cu 0.02965634847723 0.70125134964349 0.37513371819505 63.546 27 Cu 0.02965634847723 0.79874865035651 0.87513371819505 63.546 28 Cu 0.97034365152278 0.29874865035651 0.62486628180495 63.546 *29 Cu 0.20462841886910 0.06446898434875 0.14113235599695 63.546 30 Cu 0.79537158113090 0.56446898434875 0.35886764400305 63.546 31 Cu 0.79537158113090 0.93553101565125 0.85886764400305 63.546 32 Cu 0.20462841886910 0.43553101565125 0.64113235599695 63.546 33 Cu 0.56893536103453 0.07283033818461 0.87319279220358 63.546 34 Cu 0.43106463896547 0.57283033818461 0.62680720779642 63.546 35 Cu 0.92940787747917 0.45267935463407 0.23376645122651 63.546 36 Cu 0.56893536103453 0.42716966181539 0.37319279220358 63.546 *37 Cs 0.18036970991081 0.91549195350764 0.60989756434704 132.905 38 Cs 0.81963029008919 0.41549195350764 0.89010243565296 132.905 39 Cs 0.81963029008919 0.08450804649236 0.39010243565296 132.905 40 Cs 0.18036970991081 0.58450804649236 0.10989756434704 132.905 *41 Cs 0.22598860416814 0.29881480507280 0.41534821206482 132.905 42 Cs 0.77401139583186 0.79881480507280 0.08465178793518 132.905 43 Cs 0.77401139583186 0.70118519492720 0.58465178793518 132.905 44 Cs 0.22598860416814 0.20118519492720 0.91534821206482 132.905 *45 Cs 0.39380987871436 0.82750972939037 0.40503175993222 132.905 46 Cs 0.60619012128564 0.32750972939037 0.09496824006778 132.905 47 Cs 0.60619012128564 0.17249027060963 0.59496824006778 132.905 48 Cs 0.39380987871436 0.67249027060963 0.90503175993222 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.282566740092376 0.000000000000000 0.000000000000000 b 0.000000000000000 7.320087150000082 0.000000000000000 c -4.117498962801862 0.000000000000000 13.914442219170548 Atomic positions (fractional): *1 O 0.10205254956910 0.57234195657165 0.89480770366634 15.999 > 1 2 O 0.89794745043090 0.07234195657165 0.60519229633366 15.999 > 2 3 O 0.89794745043090 0.42765804342835 0.10519229633366 15.999 > 3 4 O 0.10205254956910 0.92765804342835 0.39480770366634 15.999 > 4 *5 O 0.49419458289268 0.70249036337208 0.11295105482851 15.999 > 5 6 O 0.50580541710732 0.20249036337208 0.38704894517149 15.999 > 6 7 O 0.50580541710732 0.29750963662792 0.88704894517149 15.999 > 7 8 O 0.49419458289268 0.79750963662792 0.61295105482851 15.999 > 8 *9 O 0.36304275659507 0.16012655738675 0.12844405845784 15.999 > 9 10 O 0.63695724340493 0.66012655738675 0.37155594154216 15.999 > 10 11 O 0.63695724340493 0.83987344261325 0.87155594154216 15.999 > 11 12 O 0.36304275659507 0.33987344261325 0.62844405845784 15.999 > 12 *13 O 0.96038855008664 0.46806896092589 0.36355679354528 15.999 > 13 14 O 0.03961144991336 0.96806896092589 0.13644320645472 15.999 > 14 15 O 0.03961144991336 0.53193103907411 0.63644320645472 15.999 > 15 16 O 0.96038855008664 0.03193103907411 0.86355679354528 15.999 > 16 *17 Cu 0.43106463896547 0.92716966181539 0.12680720779642 63.546 > 17 *18 Cu 0.07059212252083 0.95267935463406 0.26623354877349 63.546 > 18 19 Cu 0.92940787747917 0.04732064536593 0.73376645122651 63.546 > 19 20 Cu 0.07059212252083 0.54732064536594 0.76623354877349 63.546 > 20 *21 Cu 0.43492235538051 0.31908654026890 0.75899116343545 63.546 > 21 22 Cu 0.56507764461949 0.81908654026890 0.74100883656455 63.546 > 22 23 Cu 0.56507764461949 0.68091345973110 0.24100883656455 63.546 > 23 24 Cu 0.43492235538051 0.18091345973110 0.25899116343545 63.546 > 24 *25 Cu 0.97034365152278 0.20125134964349 0.12486628180495 63.546 > 25 26 Cu 0.02965634847723 0.70125134964349 0.37513371819505 63.546 > 26 27 Cu 0.02965634847723 0.79874865035651 0.87513371819505 63.546 > 27 28 Cu 0.97034365152278 0.29874865035651 0.62486628180495 63.546 > 28 *29 Cu 0.20462841886910 0.06446898434875 0.14113235599695 63.546 > 29 30 Cu 0.79537158113090 0.56446898434875 0.35886764400305 63.546 > 30 31 Cu 0.79537158113090 0.93553101565125 0.85886764400305 63.546 > 31 32 Cu 0.20462841886910 0.43553101565125 0.64113235599695 63.546 > 32 33 Cu 0.56893536103453 0.07283033818461 0.87319279220358 63.546 > 33 34 Cu 0.43106463896547 0.57283033818461 0.62680720779642 63.546 > 34 35 Cu 0.92940787747917 0.45267935463407 0.23376645122651 63.546 > 35 36 Cu 0.56893536103453 0.42716966181539 0.37319279220358 63.546 > 36 *37 Cs 0.18036970991081 0.91549195350764 0.60989756434704 132.905 > 37 38 Cs 0.81963029008919 0.41549195350764 0.89010243565296 132.905 > 38 39 Cs 0.81963029008919 0.08450804649236 0.39010243565296 132.905 > 39 40 Cs 0.18036970991081 0.58450804649236 0.10989756434704 132.905 > 40 *41 Cs 0.22598860416814 0.29881480507280 0.41534821206482 132.905 > 41 42 Cs 0.77401139583186 0.79881480507280 0.08465178793518 132.905 > 42 43 Cs 0.77401139583186 0.70118519492720 0.58465178793518 132.905 > 43 44 Cs 0.22598860416814 0.20118519492720 0.91534821206482 132.905 > 44 *45 Cs 0.39380987871436 0.82750972939037 0.40503175993222 132.905 > 45 46 Cs 0.60619012128564 0.32750972939037 0.09496824006778 132.905 > 46 47 Cs 0.60619012128564 0.17249027060963 0.59496824006778 132.905 > 47 48 Cs 0.39380987871436 0.67249027060963 0.90503175993222 132.905 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.282566740092376 0.000000000000000 0.000000000000000 b 0.000000000000000 14.640174300000163 0.000000000000000 c -4.117498962801862 0.000000000000000 13.914442219170548 Atomic positions (fractional): *1 O 0.10205254956910 0.28617097828582 0.89480770366634 15.999 > 1 2 O 0.10205254956910 0.78617097828582 0.89480770366634 15.999 > 1 3 O 0.89794745043090 0.03617097828582 0.60519229633366 15.999 > 2 4 O 0.89794745043090 0.53617097828582 0.60519229633366 15.999 > 2 5 O 0.89794745043090 0.21382902171418 0.10519229633366 15.999 > 3 6 O 0.89794745043090 0.71382902171418 0.10519229633366 15.999 > 3 7 O 0.10205254956910 0.46382902171418 0.39480770366634 15.999 > 4 8 O 0.10205254956910 0.96382902171418 0.39480770366634 15.999 > 4 *9 O 0.49419458289268 0.35124518168604 0.11295105482851 15.999 > 5 10 O 0.49419458289268 0.85124518168604 0.11295105482851 15.999 > 5 11 O 0.50580541710732 0.10124518168604 0.38704894517149 15.999 > 6 12 O 0.50580541710732 0.60124518168604 0.38704894517149 15.999 > 6 13 O 0.50580541710732 0.14875481831396 0.88704894517149 15.999 > 7 14 O 0.50580541710732 0.64875481831396 0.88704894517149 15.999 > 7 15 O 0.49419458289268 0.39875481831396 0.61295105482851 15.999 > 8 16 O 0.49419458289268 0.89875481831396 0.61295105482851 15.999 > 8 *17 O 0.36304275659507 0.08006327869338 0.12844405845784 15.999 > 9 18 O 0.36304275659507 0.58006327869338 0.12844405845784 15.999 > 9 19 O 0.63695724340493 0.33006327869338 0.37155594154216 15.999 > 10 20 O 0.63695724340493 0.83006327869338 0.37155594154216 15.999 > 10 21 O 0.63695724340493 0.41993672130662 0.87155594154216 15.999 > 11 22 O 0.63695724340493 0.91993672130662 0.87155594154216 15.999 > 11 23 O 0.36304275659507 0.16993672130662 0.62844405845784 15.999 > 12 24 O 0.36304275659507 0.66993672130662 0.62844405845784 15.999 > 12 *25 O 0.96038855008664 0.23403448046294 0.36355679354528 15.999 > 13 26 O 0.96038855008664 0.73403448046294 0.36355679354528 15.999 > 13 27 O 0.03961144991336 0.48403448046294 0.13644320645472 15.999 > 14 28 O 0.03961144991336 0.98403448046294 0.13644320645472 15.999 > 14 29 O 0.03961144991336 0.26596551953706 0.63644320645472 15.999 > 15 30 O 0.03961144991336 0.76596551953706 0.63644320645472 15.999 > 15 31 O 0.96038855008664 0.01596551953706 0.86355679354528 15.999 > 16 32 O 0.96038855008664 0.51596551953706 0.86355679354528 15.999 > 16 *33 Cu 0.43106463896547 0.46358483090769 0.12680720779642 63.546 > 17 34 Cu 0.43106463896547 0.96358483090769 0.12680720779642 63.546 > 17 *35 Cu 0.07059212252083 0.47633967731703 0.26623354877349 63.546 > 18 36 Cu 0.07059212252083 0.97633967731703 0.26623354877349 63.546 > 18 37 Cu 0.92940787747917 0.02366032268297 0.73376645122651 63.546 > 19 38 Cu 0.92940787747917 0.52366032268297 0.73376645122651 63.546 > 19 39 Cu 0.07059212252083 0.27366032268297 0.76623354877349 63.546 > 20 40 Cu 0.07059212252083 0.77366032268297 0.76623354877349 63.546 > 20 *41 Cu 0.43492235538051 0.15954327013445 0.75899116343545 63.546 > 21 42 Cu 0.43492235538051 0.65954327013445 0.75899116343545 63.546 > 21 43 Cu 0.56507764461949 0.40954327013445 0.74100883656455 63.546 > 22 44 Cu 0.56507764461949 0.90954327013445 0.74100883656455 63.546 > 22 45 Cu 0.56507764461949 0.34045672986555 0.24100883656455 63.546 > 23 46 Cu 0.56507764461949 0.84045672986555 0.24100883656455 63.546 > 23 47 Cu 0.43492235538051 0.09045672986555 0.25899116343545 63.546 > 24 48 Cu 0.43492235538051 0.59045672986555 0.25899116343545 63.546 > 24 *49 Cu 0.97034365152278 0.10062567482174 0.12486628180495 63.546 > 25 50 Cu 0.97034365152278 0.60062567482174 0.12486628180495 63.546 > 25 51 Cu 0.02965634847723 0.35062567482174 0.37513371819505 63.546 > 26 52 Cu 0.02965634847723 0.85062567482174 0.37513371819505 63.546 > 26 53 Cu 0.02965634847723 0.39937432517826 0.87513371819505 63.546 > 27 54 Cu 0.02965634847723 0.89937432517826 0.87513371819505 63.546 > 27 55 Cu 0.97034365152278 0.14937432517826 0.62486628180495 63.546 > 28 56 Cu 0.97034365152278 0.64937432517826 0.62486628180495 63.546 > 28 *57 Cu 0.20462841886910 0.03223449217437 0.14113235599695 63.546 > 29 58 Cu 0.20462841886910 0.53223449217438 0.14113235599695 63.546 > 29 59 Cu 0.79537158113090 0.28223449217438 0.35886764400305 63.546 > 30 60 Cu 0.79537158113090 0.78223449217438 0.35886764400305 63.546 > 30 61 Cu 0.79537158113090 0.46776550782562 0.85886764400305 63.546 > 31 62 Cu 0.79537158113090 0.96776550782562 0.85886764400305 63.546 > 31 63 Cu 0.20462841886910 0.21776550782563 0.64113235599695 63.546 > 32 64 Cu 0.20462841886910 0.71776550782562 0.64113235599695 63.546 > 32 65 Cu 0.56893536103453 0.03641516909231 0.87319279220358 63.546 > 33 66 Cu 0.56893536103453 0.53641516909231 0.87319279220358 63.546 > 33 67 Cu 0.43106463896547 0.28641516909231 0.62680720779642 63.546 > 34 68 Cu 0.43106463896547 0.78641516909231 0.62680720779642 63.546 > 34 69 Cu 0.92940787747917 0.22633967731703 0.23376645122651 63.546 > 35 70 Cu 0.92940787747917 0.72633967731703 0.23376645122651 63.546 > 35 71 Cu 0.56893536103453 0.21358483090769 0.37319279220358 63.546 > 36 72 Cu 0.56893536103453 0.71358483090769 0.37319279220358 63.546 > 36 *73 Cs 0.18036970991081 0.45774597675382 0.60989756434704 132.905 > 37 74 Cs 0.18036970991081 0.95774597675382 0.60989756434704 132.905 > 37 75 Cs 0.81963029008919 0.20774597675382 0.89010243565296 132.905 > 38 76 Cs 0.81963029008919 0.70774597675382 0.89010243565296 132.905 > 38 77 Cs 0.81963029008919 0.04225402324618 0.39010243565296 132.905 > 39 78 Cs 0.81963029008919 0.54225402324618 0.39010243565296 132.905 > 39 79 Cs 0.18036970991081 0.29225402324618 0.10989756434704 132.905 > 40 80 Cs 0.18036970991081 0.79225402324618 0.10989756434704 132.905 > 40 *81 Cs 0.22598860416814 0.14940740253640 0.41534821206482 132.905 > 41 82 Cs 0.22598860416814 0.64940740253640 0.41534821206482 132.905 > 41 83 Cs 0.77401139583186 0.39940740253640 0.08465178793518 132.905 > 42 84 Cs 0.77401139583186 0.89940740253640 0.08465178793518 132.905 > 42 85 Cs 0.77401139583186 0.35059259746360 0.58465178793518 132.905 > 43 86 Cs 0.77401139583186 0.85059259746360 0.58465178793518 132.905 > 43 87 Cs 0.22598860416814 0.10059259746360 0.91534821206482 132.905 > 44 88 Cs 0.22598860416814 0.60059259746360 0.91534821206482 132.905 > 44 *89 Cs 0.39380987871436 0.41375486469519 0.40503175993222 132.905 > 45 90 Cs 0.39380987871436 0.91375486469519 0.40503175993222 132.905 > 45 91 Cs 0.60619012128564 0.16375486469519 0.09496824006778 132.905 > 46 92 Cs 0.60619012128564 0.66375486469519 0.09496824006778 132.905 > 46 93 Cs 0.60619012128564 0.08624513530481 0.59496824006778 132.905 > 47 94 Cs 0.60619012128564 0.58624513530481 0.59496824006778 132.905 > 47 95 Cs 0.39380987871436 0.33624513530481 0.90503175993222 132.905 > 48 96 Cs 0.39380987871436 0.83624513530481 0.90503175993222 132.905 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4582082 0.0000000 0.0071372 0.0000000 4.4919375 0.0000000 0.0071748 0.0000000 4.1237359 -------------------------- Born effective charges -------------------------- 1 O -1.2751146 0.4677745 0.0887287 0.3159911 -1.7376075 -0.0876868 -0.0587440 0.2351983 -1.6809197 2 O -1.2751146 -0.4677745 0.0887287 -0.3159911 -1.7376075 0.0876868 -0.0587440 -0.2351983 -1.6809197 3 O -1.2751146 0.4677745 0.0887287 0.3159911 -1.7376075 -0.0876868 -0.0587440 0.2351983 -1.6809197 4 O -1.2751146 -0.4677745 0.0887287 -0.3159911 -1.7376075 0.0876868 -0.0587440 -0.2351983 -1.6809197 5 O -1.2125663 0.5500301 -0.0853268 0.4095974 -1.7203779 0.0585096 0.0439942 -0.1858802 -1.8028443 6 O -1.2125663 -0.5500301 -0.0853268 -0.4095974 -1.7203779 -0.0585096 0.0439942 0.1858802 -1.8028443 7 O -1.2125663 0.5500301 -0.0853268 0.4095974 -1.7203779 0.0585096 0.0439942 -0.1858802 -1.8028443 8 O -1.2125663 -0.5500301 -0.0853268 -0.4095974 -1.7203779 -0.0585096 0.0439942 0.1858802 -1.8028443 9 O -1.3167643 -0.0774136 -0.1018097 0.0028822 -1.1621261 -0.0452650 0.0382461 0.1530431 -1.1637849 10 O -1.3167643 0.0774136 -0.1018097 -0.0028822 -1.1621261 0.0452650 0.0382461 -0.1530431 -1.1637849 11 O -1.3167643 -0.0774136 -0.1018097 0.0028822 -1.1621261 -0.0452650 0.0382461 0.1530431 -1.1637849 12 O -1.3167643 0.0774136 -0.1018097 -0.0028822 -1.1621261 0.0452650 0.0382461 -0.1530431 -1.1637849 13 O -1.2883013 0.0912721 0.0496692 0.0083458 -1.2595898 -0.0893300 -0.1034204 0.1129735 -1.0008838 14 O -1.2883013 -0.0912721 0.0496692 -0.0083458 -1.2595898 0.0893300 -0.1034204 -0.1129735 -1.0008838 15 O -1.2883013 0.0912721 0.0496692 0.0083458 -1.2595898 -0.0893300 -0.1034204 0.1129735 -1.0008838 16 O -1.2883013 -0.0912721 0.0496692 -0.0083458 -1.2595898 0.0893300 -0.1034204 -0.1129735 -1.0008838 17 Cu -0.0514996 -0.7992328 -0.0702902 -0.6701191 1.2228297 0.1144341 -0.0413024 0.0887157 -0.4039909 18 Cu -0.3175862 0.0891081 -0.3910456 0.0758899 -0.1867101 -0.4408642 -0.1872718 -0.1853120 1.1052862 19 Cu -0.3175862 0.0891081 -0.3910456 0.0758899 -0.1867101 -0.4408642 -0.1872718 -0.1853120 1.1052862 20 Cu -0.3175862 -0.0891081 -0.3910456 -0.0758899 -0.1867101 0.4408642 -0.1872718 0.1853120 1.1052862 21 Cu -0.2766884 -0.0837998 0.3804283 -0.0763343 -0.2126954 -0.4227513 0.1988376 -0.1388773 1.1326871 22 Cu -0.2766884 0.0837998 0.3804283 0.0763343 -0.2126954 0.4227513 0.1988376 0.1388773 1.1326871 23 Cu -0.2766884 -0.0837998 0.3804283 -0.0763343 -0.2126954 -0.4227513 0.1988376 -0.1388773 1.1326871 24 Cu -0.2766884 0.0837998 0.3804283 0.0763343 -0.2126954 0.4227513 0.1988376 0.1388773 1.1326871 25 Cu -0.1077132 -0.7693422 0.1179386 -0.6295098 1.1767665 -0.1404994 0.0798950 -0.1644642 -0.4176539 26 Cu -0.1077132 0.7693422 0.1179386 0.6295098 1.1767665 0.1404994 0.0798950 0.1644642 -0.4176539 27 Cu -0.1077132 -0.7693422 0.1179386 -0.6295098 1.1767665 -0.1404994 0.0798950 -0.1644642 -0.4176539 28 Cu -0.1077132 0.7693422 0.1179386 0.6295098 1.1767665 0.1404994 0.0798950 0.1644642 -0.4176539 29 Cu 1.2795868 0.4908670 0.0080312 0.3099623 -0.0624289 0.0169361 -0.0094079 0.0142089 -0.1095169 30 Cu 1.2795868 -0.4908670 0.0080312 -0.3099623 -0.0624289 -0.0169361 -0.0094079 -0.0142089 -0.1095169 31 Cu 1.2795868 0.4908670 0.0080312 0.3099623 -0.0624289 0.0169361 -0.0094079 0.0142089 -0.1095169 32 Cu 1.2795868 -0.4908670 0.0080312 -0.3099623 -0.0624289 -0.0169361 -0.0094079 -0.0142089 -0.1095169 33 Cu -0.0514996 -0.7992328 -0.0702902 -0.6701191 1.2228297 0.1144341 -0.0413024 0.0887157 -0.4039909 34 Cu -0.0514996 0.7992328 -0.0702902 0.6701191 1.2228297 -0.1144341 -0.0413024 -0.0887157 -0.4039909 35 Cu -0.3175862 -0.0891081 -0.3910456 -0.0758899 -0.1867101 0.4408642 -0.1872718 0.1853120 1.1052862 36 Cu -0.0514996 0.7992328 -0.0702902 0.6701191 1.2228297 -0.1144341 -0.0413024 -0.0887157 -0.4039909 37 Cs 1.4143452 -0.0371593 0.0065239 -0.1041063 1.3967864 0.0229675 -0.0116711 0.0371919 1.3611957 38 Cs 1.4143452 0.0371593 0.0065239 0.1041063 1.3967864 -0.0229675 -0.0116711 -0.0371919 1.3611957 39 Cs 1.4143452 -0.0371593 0.0065239 -0.1041063 1.3967864 0.0229675 -0.0116711 0.0371919 1.3611957 40 Cs 1.4143452 0.0371593 0.0065239 0.1041063 1.3967864 -0.0229675 -0.0116711 -0.0371919 1.3611957 41 Cs 1.5931635 -0.0938890 0.0922944 -0.0984311 1.2970107 0.1754028 0.1242730 0.2123514 1.4751661 42 Cs 1.5931635 0.0938890 0.0922944 0.0984311 1.2970107 -0.1754028 0.1242730 -0.2123514 1.4751661 43 Cs 1.5931635 -0.0938890 0.0922944 -0.0984311 1.2970107 0.1754028 0.1242730 0.2123514 1.4751661 44 Cs 1.5931635 0.0938890 0.0922944 0.0984311 1.2970107 -0.1754028 0.1242730 -0.2123514 1.4751661 45 Cs 1.5591385 -0.0699678 -0.0951419 -0.0936932 1.2481424 -0.2122467 -0.0734282 -0.1976851 1.5052591 46 Cs 1.5591385 0.0699678 -0.0951419 0.0936932 1.2481424 0.2122467 -0.0734282 0.1976851 1.5052591 47 Cs 1.5591385 -0.0699678 -0.0951419 -0.0936932 1.2481424 -0.2122467 -0.0734282 -0.1976851 1.5052591 48 Cs 1.5591385 0.0699678 -0.0951419 0.0936932 1.2481424 0.2122467 -0.0734282 0.1976851 1.5052591 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (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 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1440 - Time: 1.250 Solver_block: 200 / 1440 - Time: 1.142 Solver_block: 300 / 1440 - Time: 1.141 Solver_block: 400 / 1440 - Time: 1.141 Solver_block: 500 / 1440 - Time: 1.140 Solver_block: 600 / 1440 - Time: 1.138 Solver_block: 700 / 1440 - Time: 1.140 Solver_block: 800 / 1440 - Time: 1.139 Solver_block: 900 / 1440 - Time: 1.139 Solver_block: 1000 / 1440 - Time: 1.142 Solver_block: 1100 / 1440 - Time: 1.137 Solver_block: 1200 / 1440 - Time: 1.143 Solver_block: 1300 / 1440 - Time: 1.139 Solver_block: 1400 / 1440 - Time: 1.143 Solver_block: 1440 / 1440 - Time: 0.543 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.085 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (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 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:06:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:06:52]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.282566740092376 0.000000000000000 0.000000000000000 b 0.000000000000000 7.320087150000082 0.000000000000000 c -4.117498962801862 0.000000000000000 13.914442219170548 Atomic positions (fractional): 1 O 0.10205254956910 0.57234195657165 0.89480770366634 15.999 2 O 0.89794745043090 0.07234195657165 0.60519229633366 15.999 3 O 0.89794745043090 0.42765804342835 0.10519229633366 15.999 4 O 0.10205254956910 0.92765804342835 0.39480770366634 15.999 5 O 0.49419458289268 0.70249036337208 0.11295105482851 15.999 6 O 0.50580541710732 0.20249036337208 0.38704894517149 15.999 7 O 0.50580541710732 0.29750963662792 0.88704894517149 15.999 8 O 0.49419458289268 0.79750963662792 0.61295105482851 15.999 9 O 0.36304275659507 0.16012655738675 0.12844405845784 15.999 10 O 0.63695724340493 0.66012655738675 0.37155594154216 15.999 11 O 0.63695724340493 0.83987344261325 0.87155594154216 15.999 12 O 0.36304275659507 0.33987344261325 0.62844405845784 15.999 13 O 0.96038855008664 0.46806896092589 0.36355679354528 15.999 14 O 0.03961144991336 0.96806896092589 0.13644320645472 15.999 15 O 0.03961144991336 0.53193103907411 0.63644320645472 15.999 16 O 0.96038855008664 0.03193103907411 0.86355679354528 15.999 17 Cu 0.43106463896547 0.92716966181539 0.12680720779642 63.546 18 Cu 0.07059212252083 0.95267935463406 0.26623354877349 63.546 19 Cu 0.92940787747917 0.04732064536593 0.73376645122651 63.546 20 Cu 0.07059212252083 0.54732064536594 0.76623354877349 63.546 21 Cu 0.43492235538051 0.31908654026890 0.75899116343545 63.546 22 Cu 0.56507764461949 0.81908654026890 0.74100883656455 63.546 23 Cu 0.56507764461949 0.68091345973110 0.24100883656455 63.546 24 Cu 0.43492235538051 0.18091345973110 0.25899116343545 63.546 25 Cu 0.97034365152278 0.20125134964349 0.12486628180495 63.546 26 Cu 0.02965634847723 0.70125134964349 0.37513371819505 63.546 27 Cu 0.02965634847723 0.79874865035651 0.87513371819505 63.546 28 Cu 0.97034365152278 0.29874865035651 0.62486628180495 63.546 29 Cu 0.20462841886910 0.06446898434875 0.14113235599695 63.546 30 Cu 0.79537158113090 0.56446898434875 0.35886764400305 63.546 31 Cu 0.79537158113090 0.93553101565125 0.85886764400305 63.546 32 Cu 0.20462841886910 0.43553101565125 0.64113235599695 63.546 33 Cu 0.56893536103453 0.07283033818461 0.87319279220358 63.546 34 Cu 0.43106463896547 0.57283033818461 0.62680720779642 63.546 35 Cu 0.92940787747917 0.45267935463407 0.23376645122651 63.546 36 Cu 0.56893536103453 0.42716966181539 0.37319279220358 63.546 37 Cs 0.18036970991081 0.91549195350764 0.60989756434704 132.905 38 Cs 0.81963029008919 0.41549195350764 0.89010243565296 132.905 39 Cs 0.81963029008919 0.08450804649236 0.39010243565296 132.905 40 Cs 0.18036970991081 0.58450804649236 0.10989756434704 132.905 41 Cs 0.22598860416814 0.29881480507280 0.41534821206482 132.905 42 Cs 0.77401139583186 0.79881480507280 0.08465178793518 132.905 43 Cs 0.77401139583186 0.70118519492720 0.58465178793518 132.905 44 Cs 0.22598860416814 0.20118519492720 0.91534821206482 132.905 45 Cs 0.39380987871436 0.82750972939037 0.40503175993222 132.905 46 Cs 0.60619012128564 0.32750972939037 0.09496824006778 132.905 47 Cs 0.60619012128564 0.17249027060963 0.59496824006778 132.905 48 Cs 0.39380987871436 0.67249027060963 0.90503175993222 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.282566740092376 0.000000000000000 0.000000000000000 b 0.000000000000000 14.640174300000163 0.000000000000000 c -4.117498962801862 0.000000000000000 13.914442219170548 Atomic positions (fractional): 1 O 0.10205254956910 0.28617097828582 0.89480770366634 15.999 > 1 2 O 0.10205254956910 0.78617097828582 0.89480770366634 15.999 > 1 3 O 0.89794745043090 0.03617097828582 0.60519229633366 15.999 > 3 4 O 0.89794745043090 0.53617097828582 0.60519229633366 15.999 > 3 5 O 0.89794745043090 0.21382902171418 0.10519229633366 15.999 > 5 6 O 0.89794745043090 0.71382902171418 0.10519229633366 15.999 > 5 7 O 0.10205254956910 0.46382902171418 0.39480770366634 15.999 > 7 8 O 0.10205254956910 0.96382902171418 0.39480770366634 15.999 > 7 9 O 0.49419458289268 0.35124518168604 0.11295105482851 15.999 > 9 10 O 0.49419458289268 0.85124518168604 0.11295105482851 15.999 > 9 11 O 0.50580541710732 0.10124518168604 0.38704894517149 15.999 > 11 12 O 0.50580541710732 0.60124518168604 0.38704894517149 15.999 > 11 13 O 0.50580541710732 0.14875481831396 0.88704894517149 15.999 > 13 14 O 0.50580541710732 0.64875481831396 0.88704894517149 15.999 > 13 15 O 0.49419458289268 0.39875481831396 0.61295105482851 15.999 > 15 16 O 0.49419458289268 0.89875481831396 0.61295105482851 15.999 > 15 17 O 0.36304275659507 0.08006327869338 0.12844405845784 15.999 > 17 18 O 0.36304275659507 0.58006327869338 0.12844405845784 15.999 > 17 19 O 0.63695724340493 0.33006327869338 0.37155594154216 15.999 > 19 20 O 0.63695724340493 0.83006327869338 0.37155594154216 15.999 > 19 21 O 0.63695724340493 0.41993672130662 0.87155594154216 15.999 > 21 22 O 0.63695724340493 0.91993672130662 0.87155594154216 15.999 > 21 23 O 0.36304275659507 0.16993672130662 0.62844405845784 15.999 > 23 24 O 0.36304275659507 0.66993672130662 0.62844405845784 15.999 > 23 25 O 0.96038855008664 0.23403448046294 0.36355679354528 15.999 > 25 26 O 0.96038855008664 0.73403448046294 0.36355679354528 15.999 > 25 27 O 0.03961144991336 0.48403448046294 0.13644320645472 15.999 > 27 28 O 0.03961144991336 0.98403448046294 0.13644320645472 15.999 > 27 29 O 0.03961144991336 0.26596551953706 0.63644320645472 15.999 > 29 30 O 0.03961144991336 0.76596551953706 0.63644320645472 15.999 > 29 31 O 0.96038855008664 0.01596551953706 0.86355679354528 15.999 > 31 32 O 0.96038855008664 0.51596551953706 0.86355679354528 15.999 > 31 33 Cu 0.43106463896547 0.46358483090769 0.12680720779642 63.546 > 33 34 Cu 0.43106463896547 0.96358483090769 0.12680720779642 63.546 > 33 35 Cu 0.07059212252083 0.47633967731703 0.26623354877349 63.546 > 35 36 Cu 0.07059212252083 0.97633967731703 0.26623354877349 63.546 > 35 37 Cu 0.92940787747917 0.02366032268297 0.73376645122651 63.546 > 37 38 Cu 0.92940787747917 0.52366032268297 0.73376645122651 63.546 > 37 39 Cu 0.07059212252083 0.27366032268297 0.76623354877349 63.546 > 39 40 Cu 0.07059212252083 0.77366032268297 0.76623354877349 63.546 > 39 41 Cu 0.43492235538051 0.15954327013445 0.75899116343545 63.546 > 41 42 Cu 0.43492235538051 0.65954327013445 0.75899116343545 63.546 > 41 43 Cu 0.56507764461949 0.40954327013445 0.74100883656455 63.546 > 43 44 Cu 0.56507764461949 0.90954327013445 0.74100883656455 63.546 > 43 45 Cu 0.56507764461949 0.34045672986555 0.24100883656455 63.546 > 45 46 Cu 0.56507764461949 0.84045672986555 0.24100883656455 63.546 > 45 47 Cu 0.43492235538051 0.09045672986555 0.25899116343545 63.546 > 47 48 Cu 0.43492235538051 0.59045672986555 0.25899116343545 63.546 > 47 49 Cu 0.97034365152278 0.10062567482174 0.12486628180495 63.546 > 49 50 Cu 0.97034365152278 0.60062567482174 0.12486628180495 63.546 > 49 51 Cu 0.02965634847723 0.35062567482174 0.37513371819505 63.546 > 51 52 Cu 0.02965634847723 0.85062567482174 0.37513371819505 63.546 > 51 53 Cu 0.02965634847723 0.39937432517826 0.87513371819505 63.546 > 53 54 Cu 0.02965634847723 0.89937432517826 0.87513371819505 63.546 > 53 55 Cu 0.97034365152278 0.14937432517826 0.62486628180495 63.546 > 55 56 Cu 0.97034365152278 0.64937432517826 0.62486628180495 63.546 > 55 57 Cu 0.20462841886910 0.03223449217437 0.14113235599695 63.546 > 57 58 Cu 0.20462841886910 0.53223449217438 0.14113235599695 63.546 > 57 59 Cu 0.79537158113090 0.28223449217438 0.35886764400305 63.546 > 59 60 Cu 0.79537158113090 0.78223449217438 0.35886764400305 63.546 > 59 61 Cu 0.79537158113090 0.46776550782562 0.85886764400305 63.546 > 61 62 Cu 0.79537158113090 0.96776550782562 0.85886764400305 63.546 > 61 63 Cu 0.20462841886910 0.21776550782563 0.64113235599695 63.546 > 63 64 Cu 0.20462841886910 0.71776550782562 0.64113235599695 63.546 > 63 65 Cu 0.56893536103453 0.03641516909231 0.87319279220358 63.546 > 65 66 Cu 0.56893536103453 0.53641516909231 0.87319279220358 63.546 > 65 67 Cu 0.43106463896547 0.28641516909231 0.62680720779642 63.546 > 67 68 Cu 0.43106463896547 0.78641516909231 0.62680720779642 63.546 > 67 69 Cu 0.92940787747917 0.22633967731703 0.23376645122651 63.546 > 69 70 Cu 0.92940787747917 0.72633967731703 0.23376645122651 63.546 > 69 71 Cu 0.56893536103453 0.21358483090769 0.37319279220358 63.546 > 71 72 Cu 0.56893536103453 0.71358483090769 0.37319279220358 63.546 > 71 73 Cs 0.18036970991081 0.45774597675382 0.60989756434704 132.905 > 73 74 Cs 0.18036970991081 0.95774597675382 0.60989756434704 132.905 > 73 75 Cs 0.81963029008919 0.20774597675382 0.89010243565296 132.905 > 75 76 Cs 0.81963029008919 0.70774597675382 0.89010243565296 132.905 > 75 77 Cs 0.81963029008919 0.04225402324618 0.39010243565296 132.905 > 77 78 Cs 0.81963029008919 0.54225402324618 0.39010243565296 132.905 > 77 79 Cs 0.18036970991081 0.29225402324618 0.10989756434704 132.905 > 79 80 Cs 0.18036970991081 0.79225402324618 0.10989756434704 132.905 > 79 81 Cs 0.22598860416814 0.14940740253640 0.41534821206482 132.905 > 81 82 Cs 0.22598860416814 0.64940740253640 0.41534821206482 132.905 > 81 83 Cs 0.77401139583186 0.39940740253640 0.08465178793518 132.905 > 83 84 Cs 0.77401139583186 0.89940740253640 0.08465178793518 132.905 > 83 85 Cs 0.77401139583186 0.35059259746360 0.58465178793518 132.905 > 85 86 Cs 0.77401139583186 0.85059259746360 0.58465178793518 132.905 > 85 87 Cs 0.22598860416814 0.10059259746360 0.91534821206482 132.905 > 87 88 Cs 0.22598860416814 0.60059259746360 0.91534821206482 132.905 > 87 89 Cs 0.39380987871436 0.41375486469519 0.40503175993222 132.905 > 89 90 Cs 0.39380987871436 0.91375486469519 0.40503175993222 132.905 > 89 91 Cs 0.60619012128564 0.16375486469519 0.09496824006778 132.905 > 91 92 Cs 0.60619012128564 0.66375486469519 0.09496824006778 132.905 > 91 93 Cs 0.60619012128564 0.08624513530481 0.59496824006778 132.905 > 93 94 Cs 0.60619012128564 0.58624513530481 0.59496824006778 132.905 > 93 95 Cs 0.39380987871436 0.33624513530481 0.90503175993222 132.905 > 95 96 Cs 0.39380987871436 0.83624513530481 0.90503175993222 132.905 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4582082 0.0000000 0.0071372 0.0000000 4.4919375 0.0000000 0.0071748 0.0000000 4.1237359 -------------------------- Born effective charges -------------------------- 1 O -1.2751146 0.4677745 0.0887287 0.3159911 -1.7376075 -0.0876868 -0.0587440 0.2351983 -1.6809197 2 O -1.2751146 -0.4677745 0.0887287 -0.3159911 -1.7376075 0.0876868 -0.0587440 -0.2351983 -1.6809197 3 O -1.2751146 0.4677745 0.0887287 0.3159911 -1.7376075 -0.0876868 -0.0587440 0.2351983 -1.6809197 4 O -1.2751146 -0.4677745 0.0887287 -0.3159911 -1.7376075 0.0876868 -0.0587440 -0.2351983 -1.6809197 5 O -1.2125663 0.5500301 -0.0853268 0.4095974 -1.7203779 0.0585096 0.0439942 -0.1858802 -1.8028443 6 O -1.2125663 -0.5500301 -0.0853268 -0.4095974 -1.7203779 -0.0585096 0.0439942 0.1858802 -1.8028443 7 O -1.2125663 0.5500301 -0.0853268 0.4095974 -1.7203779 0.0585096 0.0439942 -0.1858802 -1.8028443 8 O -1.2125663 -0.5500301 -0.0853268 -0.4095974 -1.7203779 -0.0585096 0.0439942 0.1858802 -1.8028443 9 O -1.3167643 -0.0774136 -0.1018097 0.0028822 -1.1621261 -0.0452650 0.0382461 0.1530431 -1.1637849 10 O -1.3167643 0.0774136 -0.1018097 -0.0028822 -1.1621261 0.0452650 0.0382461 -0.1530431 -1.1637849 11 O -1.3167643 -0.0774136 -0.1018097 0.0028822 -1.1621261 -0.0452650 0.0382461 0.1530431 -1.1637849 12 O -1.3167643 0.0774136 -0.1018097 -0.0028822 -1.1621261 0.0452650 0.0382461 -0.1530431 -1.1637849 13 O -1.2883013 0.0912721 0.0496692 0.0083458 -1.2595898 -0.0893300 -0.1034204 0.1129735 -1.0008838 14 O -1.2883013 -0.0912721 0.0496692 -0.0083458 -1.2595898 0.0893300 -0.1034204 -0.1129735 -1.0008838 15 O -1.2883013 0.0912721 0.0496692 0.0083458 -1.2595898 -0.0893300 -0.1034204 0.1129735 -1.0008838 16 O -1.2883013 -0.0912721 0.0496692 -0.0083458 -1.2595898 0.0893300 -0.1034204 -0.1129735 -1.0008838 17 Cu -0.0514996 -0.7992328 -0.0702902 -0.6701191 1.2228297 0.1144341 -0.0413024 0.0887157 -0.4039909 18 Cu -0.3175862 0.0891081 -0.3910456 0.0758899 -0.1867101 -0.4408642 -0.1872718 -0.1853120 1.1052862 19 Cu -0.3175862 0.0891081 -0.3910456 0.0758899 -0.1867101 -0.4408642 -0.1872718 -0.1853120 1.1052862 20 Cu -0.3175862 -0.0891081 -0.3910456 -0.0758899 -0.1867101 0.4408642 -0.1872718 0.1853120 1.1052862 21 Cu -0.2766884 -0.0837998 0.3804283 -0.0763343 -0.2126954 -0.4227513 0.1988376 -0.1388773 1.1326871 22 Cu -0.2766884 0.0837998 0.3804283 0.0763343 -0.2126954 0.4227513 0.1988376 0.1388773 1.1326871 23 Cu -0.2766884 -0.0837998 0.3804283 -0.0763343 -0.2126954 -0.4227513 0.1988376 -0.1388773 1.1326871 24 Cu -0.2766884 0.0837998 0.3804283 0.0763343 -0.2126954 0.4227513 0.1988376 0.1388773 1.1326871 25 Cu -0.1077132 -0.7693422 0.1179386 -0.6295098 1.1767665 -0.1404994 0.0798950 -0.1644642 -0.4176539 26 Cu -0.1077132 0.7693422 0.1179386 0.6295098 1.1767665 0.1404994 0.0798950 0.1644642 -0.4176539 27 Cu -0.1077132 -0.7693422 0.1179386 -0.6295098 1.1767665 -0.1404994 0.0798950 -0.1644642 -0.4176539 28 Cu -0.1077132 0.7693422 0.1179386 0.6295098 1.1767665 0.1404994 0.0798950 0.1644642 -0.4176539 29 Cu 1.2795868 0.4908670 0.0080312 0.3099623 -0.0624289 0.0169361 -0.0094079 0.0142089 -0.1095169 30 Cu 1.2795868 -0.4908670 0.0080312 -0.3099623 -0.0624289 -0.0169361 -0.0094079 -0.0142089 -0.1095169 31 Cu 1.2795868 0.4908670 0.0080312 0.3099623 -0.0624289 0.0169361 -0.0094079 0.0142089 -0.1095169 32 Cu 1.2795868 -0.4908670 0.0080312 -0.3099623 -0.0624289 -0.0169361 -0.0094079 -0.0142089 -0.1095169 33 Cu -0.0514996 -0.7992328 -0.0702902 -0.6701191 1.2228297 0.1144341 -0.0413024 0.0887157 -0.4039909 34 Cu -0.0514996 0.7992328 -0.0702902 0.6701191 1.2228297 -0.1144341 -0.0413024 -0.0887157 -0.4039909 35 Cu -0.3175862 -0.0891081 -0.3910456 -0.0758899 -0.1867101 0.4408642 -0.1872718 0.1853120 1.1052862 36 Cu -0.0514996 0.7992328 -0.0702902 0.6701191 1.2228297 -0.1144341 -0.0413024 -0.0887157 -0.4039909 37 Cs 1.4143452 -0.0371593 0.0065239 -0.1041063 1.3967864 0.0229675 -0.0116711 0.0371919 1.3611957 38 Cs 1.4143452 0.0371593 0.0065239 0.1041063 1.3967864 -0.0229675 -0.0116711 -0.0371919 1.3611957 39 Cs 1.4143452 -0.0371593 0.0065239 -0.1041063 1.3967864 0.0229675 -0.0116711 0.0371919 1.3611957 40 Cs 1.4143452 0.0371593 0.0065239 0.1041063 1.3967864 -0.0229675 -0.0116711 -0.0371919 1.3611957 41 Cs 1.5931635 -0.0938890 0.0922944 -0.0984311 1.2970107 0.1754028 0.1242730 0.2123514 1.4751661 42 Cs 1.5931635 0.0938890 0.0922944 0.0984311 1.2970107 -0.1754028 0.1242730 -0.2123514 1.4751661 43 Cs 1.5931635 -0.0938890 0.0922944 -0.0984311 1.2970107 0.1754028 0.1242730 0.2123514 1.4751661 44 Cs 1.5931635 0.0938890 0.0922944 0.0984311 1.2970107 -0.1754028 0.1242730 -0.2123514 1.4751661 45 Cs 1.5591385 -0.0699678 -0.0951419 -0.0936932 1.2481424 -0.2122467 -0.0734282 -0.1976851 1.5052591 46 Cs 1.5591385 0.0699678 -0.0951419 0.0936932 1.2481424 0.2122467 -0.0734282 0.1976851 1.5052591 47 Cs 1.5591385 -0.0699678 -0.0951419 -0.0936932 1.2481424 -0.2122467 -0.0734282 -0.1976851 1.5052591 48 Cs 1.5591385 0.0699678 -0.0951419 0.0936932 1.2481424 0.2122467 -0.0734282 0.1976851 1.5052591 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:07:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:07:40]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.282566740092376 0.000000000000000 0.000000000000000 b 0.000000000000000 7.320087150000082 0.000000000000000 c -4.117498962801862 0.000000000000000 13.914442219170548 Atomic positions (fractional): 1 O 0.10205254956910 0.57234195657165 0.89480770366634 15.999 2 O 0.89794745043090 0.07234195657165 0.60519229633366 15.999 3 O 0.89794745043090 0.42765804342835 0.10519229633366 15.999 4 O 0.10205254956910 0.92765804342835 0.39480770366634 15.999 5 O 0.49419458289268 0.70249036337208 0.11295105482851 15.999 6 O 0.50580541710732 0.20249036337208 0.38704894517149 15.999 7 O 0.50580541710732 0.29750963662792 0.88704894517149 15.999 8 O 0.49419458289268 0.79750963662792 0.61295105482851 15.999 9 O 0.36304275659507 0.16012655738675 0.12844405845784 15.999 10 O 0.63695724340493 0.66012655738675 0.37155594154216 15.999 11 O 0.63695724340493 0.83987344261325 0.87155594154216 15.999 12 O 0.36304275659507 0.33987344261325 0.62844405845784 15.999 13 O 0.96038855008664 0.46806896092589 0.36355679354528 15.999 14 O 0.03961144991336 0.96806896092589 0.13644320645472 15.999 15 O 0.03961144991336 0.53193103907411 0.63644320645472 15.999 16 O 0.96038855008664 0.03193103907411 0.86355679354528 15.999 17 Cu 0.43106463896547 0.92716966181539 0.12680720779642 63.546 18 Cu 0.07059212252083 0.95267935463406 0.26623354877349 63.546 19 Cu 0.92940787747917 0.04732064536593 0.73376645122651 63.546 20 Cu 0.07059212252083 0.54732064536594 0.76623354877349 63.546 21 Cu 0.43492235538051 0.31908654026890 0.75899116343545 63.546 22 Cu 0.56507764461949 0.81908654026890 0.74100883656455 63.546 23 Cu 0.56507764461949 0.68091345973110 0.24100883656455 63.546 24 Cu 0.43492235538051 0.18091345973110 0.25899116343545 63.546 25 Cu 0.97034365152278 0.20125134964349 0.12486628180495 63.546 26 Cu 0.02965634847723 0.70125134964349 0.37513371819505 63.546 27 Cu 0.02965634847723 0.79874865035651 0.87513371819505 63.546 28 Cu 0.97034365152278 0.29874865035651 0.62486628180495 63.546 29 Cu 0.20462841886910 0.06446898434875 0.14113235599695 63.546 30 Cu 0.79537158113090 0.56446898434875 0.35886764400305 63.546 31 Cu 0.79537158113090 0.93553101565125 0.85886764400305 63.546 32 Cu 0.20462841886910 0.43553101565125 0.64113235599695 63.546 33 Cu 0.56893536103453 0.07283033818461 0.87319279220358 63.546 34 Cu 0.43106463896547 0.57283033818461 0.62680720779642 63.546 35 Cu 0.92940787747917 0.45267935463407 0.23376645122651 63.546 36 Cu 0.56893536103453 0.42716966181539 0.37319279220358 63.546 37 Cs 0.18036970991081 0.91549195350764 0.60989756434704 132.905 38 Cs 0.81963029008919 0.41549195350764 0.89010243565296 132.905 39 Cs 0.81963029008919 0.08450804649236 0.39010243565296 132.905 40 Cs 0.18036970991081 0.58450804649236 0.10989756434704 132.905 41 Cs 0.22598860416814 0.29881480507280 0.41534821206482 132.905 42 Cs 0.77401139583186 0.79881480507280 0.08465178793518 132.905 43 Cs 0.77401139583186 0.70118519492720 0.58465178793518 132.905 44 Cs 0.22598860416814 0.20118519492720 0.91534821206482 132.905 45 Cs 0.39380987871436 0.82750972939037 0.40503175993222 132.905 46 Cs 0.60619012128564 0.32750972939037 0.09496824006778 132.905 47 Cs 0.60619012128564 0.17249027060963 0.59496824006778 132.905 48 Cs 0.39380987871436 0.67249027060963 0.90503175993222 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.282566740092376 0.000000000000000 0.000000000000000 b 0.000000000000000 14.640174300000163 0.000000000000000 c -4.117498962801862 0.000000000000000 13.914442219170548 Atomic positions (fractional): 1 O 0.10205254956910 0.28617097828582 0.89480770366634 15.999 > 1 2 O 0.10205254956910 0.78617097828582 0.89480770366634 15.999 > 1 3 O 0.89794745043090 0.03617097828582 0.60519229633366 15.999 > 3 4 O 0.89794745043090 0.53617097828582 0.60519229633366 15.999 > 3 5 O 0.89794745043090 0.21382902171418 0.10519229633366 15.999 > 5 6 O 0.89794745043090 0.71382902171418 0.10519229633366 15.999 > 5 7 O 0.10205254956910 0.46382902171418 0.39480770366634 15.999 > 7 8 O 0.10205254956910 0.96382902171418 0.39480770366634 15.999 > 7 9 O 0.49419458289268 0.35124518168604 0.11295105482851 15.999 > 9 10 O 0.49419458289268 0.85124518168604 0.11295105482851 15.999 > 9 11 O 0.50580541710732 0.10124518168604 0.38704894517149 15.999 > 11 12 O 0.50580541710732 0.60124518168604 0.38704894517149 15.999 > 11 13 O 0.50580541710732 0.14875481831396 0.88704894517149 15.999 > 13 14 O 0.50580541710732 0.64875481831396 0.88704894517149 15.999 > 13 15 O 0.49419458289268 0.39875481831396 0.61295105482851 15.999 > 15 16 O 0.49419458289268 0.89875481831396 0.61295105482851 15.999 > 15 17 O 0.36304275659507 0.08006327869338 0.12844405845784 15.999 > 17 18 O 0.36304275659507 0.58006327869338 0.12844405845784 15.999 > 17 19 O 0.63695724340493 0.33006327869338 0.37155594154216 15.999 > 19 20 O 0.63695724340493 0.83006327869338 0.37155594154216 15.999 > 19 21 O 0.63695724340493 0.41993672130662 0.87155594154216 15.999 > 21 22 O 0.63695724340493 0.91993672130662 0.87155594154216 15.999 > 21 23 O 0.36304275659507 0.16993672130662 0.62844405845784 15.999 > 23 24 O 0.36304275659507 0.66993672130662 0.62844405845784 15.999 > 23 25 O 0.96038855008664 0.23403448046294 0.36355679354528 15.999 > 25 26 O 0.96038855008664 0.73403448046294 0.36355679354528 15.999 > 25 27 O 0.03961144991336 0.48403448046294 0.13644320645472 15.999 > 27 28 O 0.03961144991336 0.98403448046294 0.13644320645472 15.999 > 27 29 O 0.03961144991336 0.26596551953706 0.63644320645472 15.999 > 29 30 O 0.03961144991336 0.76596551953706 0.63644320645472 15.999 > 29 31 O 0.96038855008664 0.01596551953706 0.86355679354528 15.999 > 31 32 O 0.96038855008664 0.51596551953706 0.86355679354528 15.999 > 31 33 Cu 0.43106463896547 0.46358483090769 0.12680720779642 63.546 > 33 34 Cu 0.43106463896547 0.96358483090769 0.12680720779642 63.546 > 33 35 Cu 0.07059212252083 0.47633967731703 0.26623354877349 63.546 > 35 36 Cu 0.07059212252083 0.97633967731703 0.26623354877349 63.546 > 35 37 Cu 0.92940787747917 0.02366032268297 0.73376645122651 63.546 > 37 38 Cu 0.92940787747917 0.52366032268297 0.73376645122651 63.546 > 37 39 Cu 0.07059212252083 0.27366032268297 0.76623354877349 63.546 > 39 40 Cu 0.07059212252083 0.77366032268297 0.76623354877349 63.546 > 39 41 Cu 0.43492235538051 0.15954327013445 0.75899116343545 63.546 > 41 42 Cu 0.43492235538051 0.65954327013445 0.75899116343545 63.546 > 41 43 Cu 0.56507764461949 0.40954327013445 0.74100883656455 63.546 > 43 44 Cu 0.56507764461949 0.90954327013445 0.74100883656455 63.546 > 43 45 Cu 0.56507764461949 0.34045672986555 0.24100883656455 63.546 > 45 46 Cu 0.56507764461949 0.84045672986555 0.24100883656455 63.546 > 45 47 Cu 0.43492235538051 0.09045672986555 0.25899116343545 63.546 > 47 48 Cu 0.43492235538051 0.59045672986555 0.25899116343545 63.546 > 47 49 Cu 0.97034365152278 0.10062567482174 0.12486628180495 63.546 > 49 50 Cu 0.97034365152278 0.60062567482174 0.12486628180495 63.546 > 49 51 Cu 0.02965634847723 0.35062567482174 0.37513371819505 63.546 > 51 52 Cu 0.02965634847723 0.85062567482174 0.37513371819505 63.546 > 51 53 Cu 0.02965634847723 0.39937432517826 0.87513371819505 63.546 > 53 54 Cu 0.02965634847723 0.89937432517826 0.87513371819505 63.546 > 53 55 Cu 0.97034365152278 0.14937432517826 0.62486628180495 63.546 > 55 56 Cu 0.97034365152278 0.64937432517826 0.62486628180495 63.546 > 55 57 Cu 0.20462841886910 0.03223449217437 0.14113235599695 63.546 > 57 58 Cu 0.20462841886910 0.53223449217438 0.14113235599695 63.546 > 57 59 Cu 0.79537158113090 0.28223449217438 0.35886764400305 63.546 > 59 60 Cu 0.79537158113090 0.78223449217438 0.35886764400305 63.546 > 59 61 Cu 0.79537158113090 0.46776550782562 0.85886764400305 63.546 > 61 62 Cu 0.79537158113090 0.96776550782562 0.85886764400305 63.546 > 61 63 Cu 0.20462841886910 0.21776550782563 0.64113235599695 63.546 > 63 64 Cu 0.20462841886910 0.71776550782562 0.64113235599695 63.546 > 63 65 Cu 0.56893536103453 0.03641516909231 0.87319279220358 63.546 > 65 66 Cu 0.56893536103453 0.53641516909231 0.87319279220358 63.546 > 65 67 Cu 0.43106463896547 0.28641516909231 0.62680720779642 63.546 > 67 68 Cu 0.43106463896547 0.78641516909231 0.62680720779642 63.546 > 67 69 Cu 0.92940787747917 0.22633967731703 0.23376645122651 63.546 > 69 70 Cu 0.92940787747917 0.72633967731703 0.23376645122651 63.546 > 69 71 Cu 0.56893536103453 0.21358483090769 0.37319279220358 63.546 > 71 72 Cu 0.56893536103453 0.71358483090769 0.37319279220358 63.546 > 71 73 Cs 0.18036970991081 0.45774597675382 0.60989756434704 132.905 > 73 74 Cs 0.18036970991081 0.95774597675382 0.60989756434704 132.905 > 73 75 Cs 0.81963029008919 0.20774597675382 0.89010243565296 132.905 > 75 76 Cs 0.81963029008919 0.70774597675382 0.89010243565296 132.905 > 75 77 Cs 0.81963029008919 0.04225402324618 0.39010243565296 132.905 > 77 78 Cs 0.81963029008919 0.54225402324618 0.39010243565296 132.905 > 77 79 Cs 0.18036970991081 0.29225402324618 0.10989756434704 132.905 > 79 80 Cs 0.18036970991081 0.79225402324618 0.10989756434704 132.905 > 79 81 Cs 0.22598860416814 0.14940740253640 0.41534821206482 132.905 > 81 82 Cs 0.22598860416814 0.64940740253640 0.41534821206482 132.905 > 81 83 Cs 0.77401139583186 0.39940740253640 0.08465178793518 132.905 > 83 84 Cs 0.77401139583186 0.89940740253640 0.08465178793518 132.905 > 83 85 Cs 0.77401139583186 0.35059259746360 0.58465178793518 132.905 > 85 86 Cs 0.77401139583186 0.85059259746360 0.58465178793518 132.905 > 85 87 Cs 0.22598860416814 0.10059259746360 0.91534821206482 132.905 > 87 88 Cs 0.22598860416814 0.60059259746360 0.91534821206482 132.905 > 87 89 Cs 0.39380987871436 0.41375486469519 0.40503175993222 132.905 > 89 90 Cs 0.39380987871436 0.91375486469519 0.40503175993222 132.905 > 89 91 Cs 0.60619012128564 0.16375486469519 0.09496824006778 132.905 > 91 92 Cs 0.60619012128564 0.66375486469519 0.09496824006778 132.905 > 91 93 Cs 0.60619012128564 0.08624513530481 0.59496824006778 132.905 > 93 94 Cs 0.60619012128564 0.58624513530481 0.59496824006778 132.905 > 93 95 Cs 0.39380987871436 0.33624513530481 0.90503175993222 132.905 > 95 96 Cs 0.39380987871436 0.83624513530481 0.90503175993222 132.905 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4582082 0.0000000 0.0071372 0.0000000 4.4919375 0.0000000 0.0071748 0.0000000 4.1237359 -------------------------- Born effective charges -------------------------- 1 O -1.2751146 0.4677745 0.0887287 0.3159911 -1.7376075 -0.0876868 -0.0587440 0.2351983 -1.6809197 2 O -1.2751146 -0.4677745 0.0887287 -0.3159911 -1.7376075 0.0876868 -0.0587440 -0.2351983 -1.6809197 3 O -1.2751146 0.4677745 0.0887287 0.3159911 -1.7376075 -0.0876868 -0.0587440 0.2351983 -1.6809197 4 O -1.2751146 -0.4677745 0.0887287 -0.3159911 -1.7376075 0.0876868 -0.0587440 -0.2351983 -1.6809197 5 O -1.2125663 0.5500301 -0.0853268 0.4095974 -1.7203779 0.0585096 0.0439942 -0.1858802 -1.8028443 6 O -1.2125663 -0.5500301 -0.0853268 -0.4095974 -1.7203779 -0.0585096 0.0439942 0.1858802 -1.8028443 7 O -1.2125663 0.5500301 -0.0853268 0.4095974 -1.7203779 0.0585096 0.0439942 -0.1858802 -1.8028443 8 O -1.2125663 -0.5500301 -0.0853268 -0.4095974 -1.7203779 -0.0585096 0.0439942 0.1858802 -1.8028443 9 O -1.3167643 -0.0774136 -0.1018097 0.0028822 -1.1621261 -0.0452650 0.0382461 0.1530431 -1.1637849 10 O -1.3167643 0.0774136 -0.1018097 -0.0028822 -1.1621261 0.0452650 0.0382461 -0.1530431 -1.1637849 11 O -1.3167643 -0.0774136 -0.1018097 0.0028822 -1.1621261 -0.0452650 0.0382461 0.1530431 -1.1637849 12 O -1.3167643 0.0774136 -0.1018097 -0.0028822 -1.1621261 0.0452650 0.0382461 -0.1530431 -1.1637849 13 O -1.2883013 0.0912721 0.0496692 0.0083458 -1.2595898 -0.0893300 -0.1034204 0.1129735 -1.0008838 14 O -1.2883013 -0.0912721 0.0496692 -0.0083458 -1.2595898 0.0893300 -0.1034204 -0.1129735 -1.0008838 15 O -1.2883013 0.0912721 0.0496692 0.0083458 -1.2595898 -0.0893300 -0.1034204 0.1129735 -1.0008838 16 O -1.2883013 -0.0912721 0.0496692 -0.0083458 -1.2595898 0.0893300 -0.1034204 -0.1129735 -1.0008838 17 Cu -0.0514996 -0.7992328 -0.0702902 -0.6701191 1.2228297 0.1144341 -0.0413024 0.0887157 -0.4039909 18 Cu -0.3175862 0.0891081 -0.3910456 0.0758899 -0.1867101 -0.4408642 -0.1872718 -0.1853120 1.1052862 19 Cu -0.3175862 0.0891081 -0.3910456 0.0758899 -0.1867101 -0.4408642 -0.1872718 -0.1853120 1.1052862 20 Cu -0.3175862 -0.0891081 -0.3910456 -0.0758899 -0.1867101 0.4408642 -0.1872718 0.1853120 1.1052862 21 Cu -0.2766884 -0.0837998 0.3804283 -0.0763343 -0.2126954 -0.4227513 0.1988376 -0.1388773 1.1326871 22 Cu -0.2766884 0.0837998 0.3804283 0.0763343 -0.2126954 0.4227513 0.1988376 0.1388773 1.1326871 23 Cu -0.2766884 -0.0837998 0.3804283 -0.0763343 -0.2126954 -0.4227513 0.1988376 -0.1388773 1.1326871 24 Cu -0.2766884 0.0837998 0.3804283 0.0763343 -0.2126954 0.4227513 0.1988376 0.1388773 1.1326871 25 Cu -0.1077132 -0.7693422 0.1179386 -0.6295098 1.1767665 -0.1404994 0.0798950 -0.1644642 -0.4176539 26 Cu -0.1077132 0.7693422 0.1179386 0.6295098 1.1767665 0.1404994 0.0798950 0.1644642 -0.4176539 27 Cu -0.1077132 -0.7693422 0.1179386 -0.6295098 1.1767665 -0.1404994 0.0798950 -0.1644642 -0.4176539 28 Cu -0.1077132 0.7693422 0.1179386 0.6295098 1.1767665 0.1404994 0.0798950 0.1644642 -0.4176539 29 Cu 1.2795868 0.4908670 0.0080312 0.3099623 -0.0624289 0.0169361 -0.0094079 0.0142089 -0.1095169 30 Cu 1.2795868 -0.4908670 0.0080312 -0.3099623 -0.0624289 -0.0169361 -0.0094079 -0.0142089 -0.1095169 31 Cu 1.2795868 0.4908670 0.0080312 0.3099623 -0.0624289 0.0169361 -0.0094079 0.0142089 -0.1095169 32 Cu 1.2795868 -0.4908670 0.0080312 -0.3099623 -0.0624289 -0.0169361 -0.0094079 -0.0142089 -0.1095169 33 Cu -0.0514996 -0.7992328 -0.0702902 -0.6701191 1.2228297 0.1144341 -0.0413024 0.0887157 -0.4039909 34 Cu -0.0514996 0.7992328 -0.0702902 0.6701191 1.2228297 -0.1144341 -0.0413024 -0.0887157 -0.4039909 35 Cu -0.3175862 -0.0891081 -0.3910456 -0.0758899 -0.1867101 0.4408642 -0.1872718 0.1853120 1.1052862 36 Cu -0.0514996 0.7992328 -0.0702902 0.6701191 1.2228297 -0.1144341 -0.0413024 -0.0887157 -0.4039909 37 Cs 1.4143452 -0.0371593 0.0065239 -0.1041063 1.3967864 0.0229675 -0.0116711 0.0371919 1.3611957 38 Cs 1.4143452 0.0371593 0.0065239 0.1041063 1.3967864 -0.0229675 -0.0116711 -0.0371919 1.3611957 39 Cs 1.4143452 -0.0371593 0.0065239 -0.1041063 1.3967864 0.0229675 -0.0116711 0.0371919 1.3611957 40 Cs 1.4143452 0.0371593 0.0065239 0.1041063 1.3967864 -0.0229675 -0.0116711 -0.0371919 1.3611957 41 Cs 1.5931635 -0.0938890 0.0922944 -0.0984311 1.2970107 0.1754028 0.1242730 0.2123514 1.4751661 42 Cs 1.5931635 0.0938890 0.0922944 0.0984311 1.2970107 -0.1754028 0.1242730 -0.2123514 1.4751661 43 Cs 1.5931635 -0.0938890 0.0922944 -0.0984311 1.2970107 0.1754028 0.1242730 0.2123514 1.4751661 44 Cs 1.5931635 0.0938890 0.0922944 0.0984311 1.2970107 -0.1754028 0.1242730 -0.2123514 1.4751661 45 Cs 1.5591385 -0.0699678 -0.0951419 -0.0936932 1.2481424 -0.2122467 -0.0734282 -0.1976851 1.5052591 46 Cs 1.5591385 0.0699678 -0.0951419 0.0936932 1.2481424 0.2122467 -0.0734282 0.1976851 1.5052591 47 Cs 1.5591385 -0.0699678 -0.0951419 -0.0936932 1.2481424 -0.2122467 -0.0734282 -0.1976851 1.5052591 48 Cs 1.5591385 0.0699678 -0.0951419 0.0936932 1.2481424 0.2122467 -0.0734282 0.1976851 1.5052591 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 4 ] 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: 0.41, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/44) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.673 ( 0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 0.802 ( 0.000 0.000 0.000) 0.000 0.858 ( 0.000 0.000 0.000) 0.000 1.034 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.132 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.515 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.883 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 14.717 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.857 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 15.053 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 15.110 ( 0.000 0.000 0.000) 0.000 15.141 ( 0.000 0.000 0.000) 0.000 15.427 ( 0.000 0.000 0.000) 0.000 15.431 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.508 ( 0.000 0.000 0.000) 0.000 15.534 ( 0.000 0.000 0.000) 0.000 15.558 ( 0.000 0.000 0.000) 0.000 15.851 ( 0.000 0.000 0.000) 0.000 15.907 ( 0.000 0.000 0.000) 0.000 16.123 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.258 ( 0.000 0.000 0.000) 0.000 16.360 ( 0.000 0.000 0.000) 0.000 17.503 ( 0.000 0.000 0.000) 0.000 17.504 ( 0.000 0.000 0.000) 0.000 17.695 ( 0.000 0.000 0.000) 0.000 17.724 ( 0.000 0.000 0.000) 0.000 17.811 ( 0.000 0.000 0.000) 0.000 17.848 ( 0.000 0.000 0.000) 0.000 17.949 ( 0.000 0.000 0.000) 0.000 17.981 ( 0.000 0.000 0.000) 0.000 17.992 ( 0.000 0.000 0.000) 0.000 18.031 ( 0.000 0.000 0.000) 0.000 18.149 ( 0.000 0.000 0.000) 0.000 18.179 ( 0.000 0.000 0.000) 0.000 18.506 ( 0.000 0.000 0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000 18.542 ( 0.000 0.000 0.000) 0.000 18.551 ( 0.000 0.000 0.000) 0.000 18.641 ( 0.000 0.000 0.000) 0.000 18.643 ( 0.000 0.000 0.000) 0.000 18.706 ( 0.000 0.000 0.000) 0.000 19.019 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/44) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 10.393 0.000 8.483) 13.416 0.291 ( 13.838 0.000 2.172) 14.007 0.549 ( 25.606 0.000 4.504) 26.000 0.763 ( 6.864 0.000 -5.816) 8.997 0.763 ( 7.473 0.000 -5.883) 9.510 0.852 ( 1.986 0.000 0.073) 1.987 0.890 ( -2.111 0.000 -0.244) 2.125 1.010 ( -0.482 0.000 1.157) 1.253 1.053 ( -3.398 0.000 0.343) 3.415 1.105 ( -5.516 0.000 4.283) 6.983 1.150 ( 0.144 0.000 -1.397) 1.405 1.191 ( 1.323 0.000 1.660) 2.123 1.246 ( -0.923 0.000 0.209) 0.946 1.278 ( 3.612 0.000 -0.181) 3.616 1.312 ( -2.413 0.000 -0.158) 2.419 1.348 ( -2.966 0.000 4.218) 5.156 1.388 ( 2.462 0.000 -1.114) 2.703 1.402 ( 1.933 0.000 -0.268) 1.951 1.438 ( 4.220 0.000 1.945) 4.647 1.483 ( 1.287 0.000 -3.142) 3.395 1.528 ( -1.619 0.000 1.133) 1.976 1.561 ( 0.851 0.000 4.044) 4.133 1.579 ( -1.496 0.000 0.065) 1.498 1.625 ( -0.955 0.000 -4.023) 4.135 1.656 ( -3.900 0.000 1.932) 4.352 1.718 ( 0.339 0.000 -5.691) 5.701 1.765 ( -2.464 0.000 0.434) 2.502 1.791 ( 0.170 0.000 -1.316) 1.327 1.793 ( -0.881 0.000 -0.638) 1.088 1.860 ( 0.413 0.000 -0.115) 0.429 1.902 ( 0.772 0.000 -6.918) 6.961 1.912 ( 4.007 0.000 -0.988) 4.127 1.966 ( 0.637 0.000 0.810) 1.030 1.977 ( 3.577 0.000 0.731) 3.651 2.010 ( -1.526 0.000 -0.506) 1.608 2.117 ( -1.085 0.000 0.553) 1.218 2.138 ( 0.143 0.000 1.022) 1.032 2.158 ( -2.402 0.000 3.476) 4.225 2.164 ( -0.112 0.000 -4.282) 4.283 2.210 ( -5.974 0.000 -1.396) 6.135 2.262 ( -5.164 0.000 -1.191) 5.299 2.263 ( -2.515 0.000 0.802) 2.639 2.344 ( -3.509 0.000 0.688) 3.576 2.442 ( -0.508 0.000 6.121) 6.142 2.464 ( -5.315 0.000 2.597) 5.916 2.476 ( -1.854 0.000 -1.679) 2.502 2.545 ( 2.910 0.000 2.073) 3.573 2.616 ( 2.197 0.000 1.140) 2.475 2.626 ( -1.609 0.000 -3.030) 3.431 2.671 ( -2.353 0.000 1.597) 2.844 2.714 ( -3.003 0.000 -0.922) 3.142 2.719 ( 3.839 0.000 0.696) 3.901 2.767 ( -5.140 0.000 0.649) 5.181 2.809 ( 0.200 0.000 2.864) 2.871 2.954 ( -0.377 0.000 -0.095) 0.389 2.991 ( 0.310 0.000 -0.066) 0.317 3.062 ( 0.397 0.000 0.526) 0.659 3.127 ( 0.987 0.000 -1.583) 1.865 3.179 ( -0.222 0.000 -1.109) 1.131 3.219 ( -2.071 0.000 1.023) 2.310 3.242 ( 2.282 0.000 -0.551) 2.348 3.280 ( 0.545 0.000 -2.730) 2.784 3.358 ( 0.953 0.000 -1.561) 1.829 3.370 ( 2.262 0.000 0.961) 2.458 3.587 ( 3.616 0.000 -0.157) 3.619 3.589 ( 3.942 0.000 -0.155) 3.945 3.666 ( 1.455 0.000 0.045) 1.455 3.684 ( -0.149 0.000 0.131) 0.198 3.709 ( 0.160 0.000 0.100) 0.189 3.715 ( 1.087 0.000 0.332) 1.137 3.742 ( 0.643 0.000 -0.338) 0.726 3.766 ( -0.746 0.000 0.196) 0.771 3.788 ( 0.963 0.000 -0.860) 1.291 3.800 ( 0.537 0.000 2.382) 2.442 3.850 ( 0.019 0.000 0.080) 0.082 3.883 ( -0.442 0.000 -0.244) 0.505 4.018 ( -6.065 0.000 0.146) 6.067 4.023 ( -5.382 0.000 0.266) 5.389 4.082 ( -4.259 0.000 -0.729) 4.321 4.093 ( -4.165 0.000 1.242) 4.346 4.171 ( 4.384 0.000 -0.607) 4.425 4.205 ( 4.222 0.000 -0.216) 4.227 4.296 ( 4.791 0.000 -0.119) 4.793 4.312 ( 4.857 0.000 0.159) 4.859 4.742 ( 1.393 0.000 0.329) 1.431 4.757 ( 0.869 0.000 -0.350) 0.936 5.121 ( -7.838 0.000 0.098) 7.838 5.134 ( -8.455 0.000 -0.915) 8.504 5.500 ( 1.319 0.000 -0.260) 1.345 5.505 ( 1.536 0.000 0.118) 1.540 5.545 ( 6.703 0.000 -0.369) 6.713 5.552 ( 8.246 0.000 -0.282) 8.251 5.594 ( 1.039 0.000 0.229) 1.064 5.622 ( -0.389 0.000 1.324) 1.380 5.933 ( -1.165 0.000 -0.343) 1.215 5.938 ( -1.362 0.000 0.293) 1.393 6.142 ( -1.075 0.000 -0.905) 1.405 6.172 ( -2.196 0.000 0.949) 2.392 6.240 ( -0.587 0.000 0.463) 0.748 6.248 ( 1.781 0.000 -1.557) 2.366 6.687 ( 0.070 0.000 -0.230) 0.241 6.713 ( 0.950 0.000 0.081) 0.953 6.715 ( 0.113 0.000 0.098) 0.150 6.809 ( -0.312 0.000 -2.728) 2.745 14.717 ( 0.175 0.000 -0.269) 0.321 14.726 ( 0.488 0.000 0.215) 0.533 14.840 ( -1.757 0.000 0.583) 1.851 14.855 ( -2.559 0.000 -0.471) 2.602 15.039 ( -0.354 0.000 -0.419) 0.548 15.058 ( 0.135 0.000 0.361) 0.386 15.152 ( 3.117 0.000 -0.067) 3.118 15.190 ( 3.669 0.000 0.225) 3.676 15.390 ( -2.941 0.000 0.334) 2.960 15.405 ( -1.594 0.000 -1.237) 2.018 15.459 ( -3.581 0.000 0.737) 3.656 15.498 ( -0.275 0.000 -0.044) 0.278 15.565 ( 2.401 0.000 0.511) 2.455 15.595 ( 2.242 0.000 -0.246) 2.255 15.879 ( 2.240 0.000 0.519) 2.299 15.902 ( -0.179 0.000 -0.697) 0.719 16.139 ( 1.446 0.000 -0.198) 1.460 16.180 ( -0.433 0.000 -0.096) 0.444 16.247 ( -1.090 0.000 -0.043) 1.091 16.324 ( -3.245 0.000 -0.407) 3.271 17.514 ( 1.158 0.000 -0.153) 1.168 17.518 ( 1.268 0.000 0.028) 1.268 17.727 ( 0.172 0.000 0.063) 0.183 17.733 ( -2.681 0.000 -1.257) 2.961 17.841 ( -0.494 0.000 -0.191) 0.530 17.848 ( 2.222 0.000 -0.698) 2.329 17.968 ( -0.091 0.000 -1.911) 1.913 18.012 ( 1.191 0.000 1.280) 1.749 18.044 ( 1.239 0.000 -3.565) 3.774 18.046 ( 1.354 0.000 0.491) 1.440 18.139 ( -1.329 0.000 0.599) 1.458 18.310 ( -2.491 0.000 -7.684) 8.078 18.499 ( 0.842 0.000 -1.175) 1.446 18.503 ( -0.689 0.000 1.763) 1.893 18.579 ( 1.857 0.000 -0.967) 2.094 18.584 ( 1.228 0.000 1.378) 1.846 18.652 ( 0.384 0.000 2.339) 2.370 18.692 ( -4.234 0.000 14.317) 14.930 18.714 ( 1.454 0.000 -0.211) 1.469 18.984 ( -3.689 0.000 0.710) 3.756 ======================= Grid point 2 (3/44) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 8.485 0.000 6.876) 10.922 0.552 ( 11.177 0.000 1.764) 11.315 0.730 ( -4.884 0.000 -6.675) 8.271 0.780 ( -6.677 0.000 -1.696) 6.889 0.892 ( 5.741 0.000 -4.182) 7.103 0.906 ( 7.730 0.000 -8.191) 11.263 0.955 ( 3.127 0.000 3.928) 5.020 0.985 ( -5.019 0.000 5.085) 7.145 1.064 ( 4.801 0.000 4.489) 6.573 1.069 ( -0.537 0.000 1.655) 1.740 1.164 ( 1.213 0.000 0.400) 1.277 1.216 ( 4.844 0.000 0.056) 4.845 1.231 ( 0.876 0.000 2.214) 2.381 1.313 ( 0.459 0.000 -0.120) 0.475 1.333 ( 2.886 0.000 2.106) 3.572 1.379 ( 3.050 0.000 6.066) 6.790 1.427 ( 1.029 0.000 -1.589) 1.893 1.437 ( 1.511 0.000 -2.743) 3.132 1.468 ( -3.541 0.000 -2.524) 4.348 1.495 ( -0.062 0.000 1.127) 1.129 1.541 ( 0.188 0.000 -1.427) 1.439 1.544 ( -4.266 0.000 -4.685) 6.336 1.551 ( 3.646 0.000 2.045) 4.181 1.583 ( -4.027 0.000 0.719) 4.091 1.614 ( 1.301 0.000 5.367) 5.523 1.673 ( -4.776 0.000 -2.851) 5.563 1.714 ( 1.392 0.000 -2.148) 2.560 1.730 ( -6.940 0.000 -4.798) 8.437 1.783 ( -0.751 0.000 -0.502) 0.903 1.851 ( -0.663 0.000 0.897) 1.115 1.864 ( -0.882 0.000 0.703) 1.128 1.931 ( -0.510 0.000 -3.868) 3.901 1.974 ( 3.394 0.000 -0.465) 3.426 2.005 ( 0.549 0.000 0.113) 0.561 2.008 ( 0.973 0.000 -0.316) 1.023 2.078 ( -1.874 0.000 -1.985) 2.729 2.078 ( -4.308 0.000 -2.131) 4.806 2.162 ( -0.410 0.000 1.444) 1.501 2.181 ( -1.340 0.000 -0.316) 1.376 2.207 ( 2.669 0.000 6.724) 7.234 2.214 ( -1.112 0.000 0.527) 1.230 2.226 ( 4.702 0.000 0.268) 4.710 2.315 ( -0.841 0.000 -2.028) 2.196 2.398 ( -0.109 0.000 3.587) 3.589 2.417 ( -3.142 0.000 1.736) 3.589 2.429 ( -3.567 0.000 -1.393) 3.830 2.523 ( -6.551 0.000 -4.003) 7.678 2.615 ( -0.730 0.000 -0.163) 0.748 2.627 ( 2.952 0.000 1.948) 3.536 2.638 ( 0.536 0.000 -0.441) 0.695 2.668 ( -2.501 0.000 2.003) 3.204 2.681 ( -2.668 0.000 -0.838) 2.796 2.773 ( 1.248 0.000 0.225) 1.268 2.867 ( 2.509 0.000 1.162) 2.765 2.913 ( -1.832 0.000 -0.435) 1.883 2.965 ( -1.904 0.000 0.695) 2.027 3.093 ( 1.695 0.000 0.357) 1.732 3.149 ( 2.571 0.000 -1.209) 2.841 3.172 ( -0.226 0.000 -0.086) 0.242 3.202 ( -1.559 0.000 -0.037) 1.559 3.296 ( 1.594 0.000 -0.782) 1.775 3.299 ( 1.643 0.000 0.420) 1.696 3.346 ( -1.048 0.000 -0.119) 1.055 3.408 ( 1.402 0.000 -0.161) 1.412 3.658 ( 3.191 0.000 0.075) 3.192 3.663 ( 2.869 0.000 -0.374) 2.894 3.682 ( 0.075 0.000 -0.208) 0.221 3.687 ( 0.834 0.000 0.122) 0.843 3.711 ( -0.274 0.000 0.227) 0.355 3.718 ( -1.606 0.000 0.380) 1.651 3.753 ( 0.363 0.000 -0.007) 0.363 3.763 ( 0.620 0.000 0.038) 0.621 3.804 ( 0.466 0.000 -0.561) 0.729 3.811 ( -0.331 0.000 0.341) 0.475 3.862 ( 0.310 0.000 0.285) 0.421 3.893 ( 2.150 0.000 -0.261) 2.166 3.935 ( -1.121 0.000 0.235) 1.146 3.939 ( -2.771 0.000 0.008) 2.771 3.999 ( -3.654 0.000 -0.569) 3.698 4.006 ( -4.531 0.000 0.772) 4.596 4.267 ( 4.744 0.000 -0.163) 4.747 4.291 ( 4.170 0.000 0.101) 4.172 4.335 ( -0.871 0.000 0.035) 0.871 4.353 ( -0.770 0.000 -0.027) 0.771 4.804 ( 4.662 0.000 0.322) 4.673 4.805 ( 4.012 0.000 -0.258) 4.020 4.966 ( -7.230 0.000 -0.117) 7.231 4.973 ( -6.931 0.000 -0.111) 6.932 5.523 ( 0.876 0.000 -0.219) 0.903 5.542 ( 2.072 0.000 0.162) 2.078 5.577 ( -0.256 0.000 0.386) 0.463 5.582 ( -1.696 0.000 -0.079) 1.698 5.719 ( 8.294 0.000 -0.541) 8.311 5.740 ( 8.065 0.000 0.479) 8.079 5.867 ( -6.018 0.000 0.368) 6.029 5.874 ( -4.983 0.000 -0.416) 5.001 6.143 ( 1.346 0.000 -0.698) 1.516 6.149 ( -0.604 0.000 0.528) 0.802 6.218 ( -1.569 0.000 0.464) 1.637 6.264 ( 0.529 0.000 -0.529) 0.748 6.687 ( 0.078 0.000 -0.172) 0.188 6.720 ( 0.207 0.000 0.145) 0.253 6.730 ( 0.575 0.000 0.115) 0.586 6.787 ( -0.626 0.000 -0.785) 1.004 14.722 ( 0.333 0.000 -0.220) 0.400 14.744 ( 1.009 0.000 0.291) 1.050 14.802 ( -2.075 0.000 -0.410) 2.115 14.809 ( -1.310 0.000 0.356) 1.357 15.040 ( 0.313 0.000 -0.153) 0.349 15.067 ( 0.401 0.000 0.068) 0.407 15.201 ( 1.565 0.000 -0.048) 1.565 15.256 ( 2.395 0.000 0.228) 2.406 15.348 ( -1.262 0.000 0.276) 1.291 15.371 ( -0.454 0.000 -1.618) 1.680 15.399 ( -2.749 0.000 1.131) 2.972 15.486 ( -0.555 0.000 -0.031) 0.556 15.606 ( 1.173 0.000 0.215) 1.192 15.625 ( 0.858 0.000 -0.090) 0.863 15.896 ( -0.059 0.000 -0.395) 0.400 15.922 ( 1.369 0.000 0.340) 1.411 16.172 ( 1.686 0.000 0.279) 1.709 16.182 ( 0.816 0.000 0.032) 0.817 16.218 ( -1.586 0.000 -0.172) 1.596 16.251 ( -3.103 0.000 -0.445) 3.134 17.538 ( 1.012 0.000 -0.120) 1.019 17.541 ( 0.778 0.000 0.045) 0.779 17.683 ( -1.601 0.000 -0.179) 1.611 17.728 ( -0.046 0.000 0.095) 0.105 17.833 ( -0.174 0.000 -0.117) 0.210 17.876 ( 0.802 0.000 -0.088) 0.807 17.959 ( 0.003 0.000 -0.868) 0.868 18.047 ( 0.339 0.000 -0.932) 0.991 18.048 ( 1.801 0.000 0.451) 1.857 18.087 ( 1.945 0.000 1.225) 2.299 18.105 ( -2.076 0.000 0.285) 2.095 18.216 ( -2.986 0.000 -3.233) 4.401 18.507 ( 0.168 0.000 0.319) 0.361 18.532 ( 2.705 0.000 -0.554) 2.761 18.580 ( -1.986 0.000 0.443) 2.035 18.592 ( 0.080 0.000 0.087) 0.118 18.668 ( -0.267 0.000 1.934) 1.952 18.698 ( -0.114 0.000 1.996) 1.999 18.777 ( 4.431 0.000 0.479) 4.457 18.895 ( -5.171 0.000 0.086) 5.171 ======================= Grid point 5 (4/44) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( 0.000 11.794 0.000) 11.794 0.280 ( 0.000 14.337 0.000) 14.337 0.477 ( 0.000 23.366 0.000) 23.366 0.729 ( 0.000 5.482 0.000) 5.482 0.828 ( 0.000 7.466 0.000) 7.466 0.879 ( 0.000 6.898 0.000) 6.898 0.913 ( 0.000 5.181 0.000) 5.181 1.069 ( 0.000 1.403 0.000) 1.403 1.100 ( 0.000 -0.939 0.000) 0.939 1.128 ( 0.000 -0.623 0.000) 0.623 1.182 ( 0.000 2.276 0.000) 2.276 1.204 ( 0.000 -0.456 0.000) 0.456 1.216 ( 0.000 0.636 0.000) 0.636 1.298 ( 0.000 2.543 0.000) 2.543 1.337 ( 0.000 -1.837 0.000) 1.837 1.338 ( 0.000 -2.657 0.000) 2.657 1.359 ( 0.000 0.925 0.000) 0.925 1.405 ( 0.000 0.485 0.000) 0.485 1.414 ( 0.000 2.144 0.000) 2.144 1.459 ( 0.000 0.012 0.000) 0.012 1.511 ( 0.000 -1.144 0.000) 1.144 1.530 ( 0.000 -0.628 0.000) 0.628 1.581 ( 0.000 -0.488 0.000) 0.488 1.593 ( 0.000 -1.528 0.000) 1.528 1.699 ( 0.000 -1.840 0.000) 1.840 1.738 ( 0.000 -1.983 0.000) 1.983 1.760 ( 0.000 -1.876 0.000) 1.876 1.798 ( 0.000 2.821 0.000) 2.821 1.826 ( 0.000 -0.652 0.000) 0.652 1.847 ( 0.000 0.405 0.000) 0.405 1.883 ( 0.000 1.440 0.000) 1.440 1.892 ( 0.000 -1.434 0.000) 1.434 1.935 ( 0.000 1.912 0.000) 1.912 1.945 ( 0.000 -0.738 0.000) 0.738 2.004 ( 0.000 -2.755 0.000) 2.755 2.086 ( 0.000 -4.635 0.000) 4.635 2.121 ( 0.000 -2.317 0.000) 2.317 2.164 ( 0.000 -2.647 0.000) 2.647 2.219 ( 0.000 -3.927 0.000) 3.927 2.265 ( 0.000 -1.642 0.000) 1.642 2.295 ( 0.000 -3.210 0.000) 3.210 2.317 ( 0.000 -3.249 0.000) 3.249 2.349 ( 0.000 -3.163 0.000) 3.163 2.391 ( 0.000 0.294 0.000) 0.294 2.422 ( 0.000 -0.306 0.000) 0.306 2.488 ( 0.000 -3.218 0.000) 3.218 2.490 ( 0.000 -0.726 0.000) 0.726 2.602 ( 0.000 -0.920 0.000) 0.920 2.644 ( 0.000 0.702 0.000) 0.702 2.701 ( 0.000 2.584 0.000) 2.584 2.716 ( 0.000 3.117 0.000) 3.117 2.742 ( 0.000 3.812 0.000) 3.812 2.782 ( 0.000 -2.724 0.000) 2.724 2.857 ( 0.000 -0.888 0.000) 0.888 2.959 ( 0.000 0.969 0.000) 0.969 3.003 ( 0.000 -2.731 0.000) 2.731 3.057 ( 0.000 0.320 0.000) 0.320 3.085 ( 0.000 -1.987 0.000) 1.987 3.091 ( 0.000 1.608 0.000) 1.608 3.207 ( 0.000 -1.151 0.000) 1.151 3.314 ( 0.000 3.727 0.000) 3.727 3.316 ( 0.000 0.405 0.000) 0.405 3.333 ( 0.000 1.378 0.000) 1.378 3.372 ( 0.000 4.319 0.000) 4.319 3.537 ( 0.000 0.012 0.000) 0.012 3.560 ( 0.000 1.143 0.000) 1.143 3.686 ( 0.000 -1.962 0.000) 1.962 3.697 ( 0.000 0.029 0.000) 0.029 3.697 ( 0.000 2.455 0.000) 2.455 3.711 ( 0.000 0.360 0.000) 0.360 3.724 ( 0.000 0.030 0.000) 0.030 3.762 ( 0.000 0.143 0.000) 0.143 3.785 ( 0.000 0.575 0.000) 0.575 3.789 ( 0.000 0.633 0.000) 0.633 3.867 ( 0.000 1.477 0.000) 1.477 3.913 ( 0.000 2.254 0.000) 2.254 3.969 ( 0.000 -6.842 0.000) 6.842 3.974 ( 0.000 -6.187 0.000) 6.187 4.075 ( 0.000 -2.531 0.000) 2.531 4.093 ( 0.000 -2.602 0.000) 2.602 4.263 ( 0.000 5.843 0.000) 5.843 4.268 ( 0.000 4.978 0.000) 4.978 4.278 ( 0.000 5.022 0.000) 5.022 4.281 ( 0.000 5.750 0.000) 5.750 4.709 ( 0.000 -2.354 0.000) 2.354 4.733 ( 0.000 -1.761 0.000) 1.761 5.211 ( 0.000 -1.903 0.000) 1.903 5.225 ( 0.000 -0.405 0.000) 0.405 5.418 ( 0.000 -0.315 0.000) 0.315 5.450 ( 0.000 0.126 0.000) 0.126 5.475 ( 0.000 -0.422 0.000) 0.422 5.493 ( 0.000 0.838 0.000) 0.838 5.606 ( 0.000 1.821 0.000) 1.821 5.625 ( 0.000 0.564 0.000) 0.564 5.943 ( 0.000 0.087 0.000) 0.087 5.945 ( 0.000 -0.009 0.000) 0.009 6.155 ( 0.000 -0.986 0.000) 0.986 6.182 ( 0.000 -0.969 0.000) 0.969 6.200 ( 0.000 -1.609 0.000) 1.609 6.256 ( 0.000 -2.037 0.000) 2.037 6.685 ( 0.000 0.003 0.000) 0.003 6.692 ( 0.000 0.291 0.000) 0.291 6.711 ( 0.000 -0.328 0.000) 0.328 6.723 ( 0.000 -0.121 0.000) 0.121 14.721 ( 0.000 0.434 0.000) 0.434 14.728 ( 0.000 0.626 0.000) 0.626 14.847 ( 0.000 -1.003 0.000) 1.003 14.877 ( 0.000 -0.832 0.000) 0.832 15.061 ( 0.000 0.894 0.000) 0.894 15.074 ( 0.000 1.403 0.000) 1.403 15.120 ( 0.000 0.902 0.000) 0.902 15.154 ( 0.000 1.057 0.000) 1.057 15.431 ( 0.000 0.310 0.000) 0.310 15.445 ( 0.000 1.290 0.000) 1.290 15.480 ( 0.000 -0.776 0.000) 0.776 15.499 ( 0.000 -0.934 0.000) 0.934 15.545 ( 0.000 1.262 0.000) 1.262 15.555 ( 0.000 -0.187 0.000) 0.187 15.835 ( 0.000 -1.781 0.000) 1.781 15.886 ( 0.000 -2.104 0.000) 2.104 16.118 ( 0.000 -0.435 0.000) 0.435 16.172 ( 0.000 -1.302 0.000) 1.302 16.238 ( 0.000 -1.835 0.000) 1.835 16.330 ( 0.000 -3.637 0.000) 3.637 17.520 ( 0.000 1.602 0.000) 1.602 17.627 ( 0.000 0.817 0.000) 0.817 17.695 ( 0.000 -0.377 0.000) 0.377 17.721 ( 0.000 -0.496 0.000) 0.496 17.817 ( 0.000 0.690 0.000) 0.690 17.924 ( 0.000 0.458 0.000) 0.458 17.928 ( 0.000 -1.160 0.000) 1.160 17.955 ( 0.000 -2.161 0.000) 2.161 18.018 ( 0.000 1.479 0.000) 1.479 18.085 ( 0.000 3.807 0.000) 3.807 18.197 ( 0.000 3.980 0.000) 3.980 18.248 ( 0.000 5.224 0.000) 5.224 18.503 ( 0.000 -1.252 0.000) 1.252 18.513 ( 0.000 -1.189 0.000) 1.189 18.549 ( 0.000 -0.230 0.000) 0.230 18.575 ( 0.000 1.365 0.000) 1.365 18.633 ( 0.000 -0.955 0.000) 0.955 18.657 ( 0.000 1.283 0.000) 1.283 19.010 ( 0.000 -0.825 0.000) 0.825 19.027 ( 0.000 -0.862 0.000) 0.862 ======================= Grid point 6 (5/44) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 9.151 6.611 5.442) 12.533 0.353 ( 7.735 8.792 4.001) 12.375 0.706 ( 10.759 8.350 -1.823) 13.740 0.743 ( 9.397 6.483 -2.508) 11.689 0.866 ( 1.175 3.641 -1.793) 4.225 0.919 ( 2.346 7.331 -3.689) 8.536 0.952 ( 1.966 5.792 0.876) 6.179 1.019 ( -3.004 0.171 0.533) 3.056 1.054 ( -1.667 1.839 2.856) 3.784 1.093 ( -3.523 -0.372 1.087) 3.705 1.160 ( -0.755 0.915 -0.428) 1.261 1.229 ( -0.695 -1.017 1.876) 2.244 1.244 ( 2.739 4.254 0.596) 5.095 1.288 ( -2.244 -1.835 -1.754) 3.389 1.321 ( 0.270 -0.037 1.097) 1.131 1.337 ( 0.410 -0.172 2.173) 2.218 1.349 ( 0.118 -0.756 1.051) 1.300 1.436 ( 1.529 0.478 0.400) 1.651 1.473 ( 2.509 1.101 1.497) 3.122 1.488 ( 3.030 1.747 0.002) 3.497 1.525 ( 0.934 -1.415 -1.843) 2.505 1.542 ( 1.655 0.450 1.891) 2.553 1.576 ( 0.217 -0.171 -1.175) 1.207 1.585 ( -0.955 -1.357 0.853) 1.866 1.665 ( -1.940 0.002 -0.225) 1.953 1.723 ( -1.186 -2.420 -1.053) 2.894 1.765 ( -2.010 -0.620 -3.411) 4.007 1.787 ( -0.882 1.906 -2.534) 3.291 1.812 ( -0.290 2.009 1.039) 2.281 1.835 ( -0.516 -1.381 -0.019) 1.474 1.857 ( -1.022 -0.780 -2.927) 3.197 1.893 ( 2.297 -2.007 1.481) 3.391 1.954 ( 1.772 -1.454 0.937) 2.476 1.982 ( 1.220 -0.379 -2.732) 3.016 1.993 ( -0.772 -1.702 -0.836) 2.047 2.068 ( -0.969 -5.199 1.181) 5.419 2.114 ( -1.123 -2.508 1.121) 2.967 2.144 ( -0.092 -2.320 -3.882) 4.523 2.183 ( -3.962 -0.309 -4.188) 5.773 2.190 ( -1.098 -1.012 1.079) 1.842 2.242 ( -4.961 -1.387 0.490) 5.175 2.267 ( -1.194 -0.189 -1.148) 1.667 2.326 ( -1.927 -1.773 1.675) 3.109 2.450 ( -0.407 -0.181 1.838) 1.891 2.453 ( -1.642 0.437 2.295) 2.855 2.496 ( -3.883 -0.061 0.733) 3.952 2.511 ( 2.976 -1.844 1.362) 3.757 2.578 ( -0.677 -2.083 2.218) 3.117 2.623 ( -2.888 -3.902 1.157) 4.991 2.669 ( -1.899 -0.045 0.383) 1.938 2.703 ( -2.116 -0.521 0.200) 2.188 2.727 ( 0.348 1.780 -0.215) 1.827 2.799 ( -1.731 2.644 -1.066) 3.335 2.846 ( 0.520 3.200 -0.745) 3.326 2.910 ( -1.594 -2.208 0.868) 2.858 3.006 ( 1.263 -0.898 0.436) 1.610 3.063 ( 0.455 -0.097 0.276) 0.541 3.077 ( 0.052 -1.804 -1.589) 2.405 3.171 ( 5.599 -1.524 0.496) 5.824 3.238 ( -2.695 1.837 -0.414) 3.288 3.263 ( 1.125 -0.549 -0.857) 1.517 3.270 ( -0.898 2.783 0.559) 2.977 3.378 ( 1.071 1.693 -0.818) 2.164 3.409 ( 0.931 2.288 0.564) 2.534 3.564 ( 2.341 -0.975 -0.090) 2.537 3.590 ( 2.809 -0.174 0.073) 2.816 3.685 ( 0.031 -0.717 -0.199) 0.745 3.695 ( 0.034 -0.057 0.067) 0.095 3.713 ( 1.037 2.123 -0.261) 2.377 3.717 ( 0.845 -0.020 0.006) 0.846 3.726 ( 0.436 -0.587 0.221) 0.764 3.756 ( -0.590 0.053 0.183) 0.620 3.795 ( 0.397 -0.449 0.094) 0.606 3.796 ( 0.549 -0.190 0.190) 0.611 3.862 ( 0.053 1.922 0.317) 1.948 3.901 ( -0.886 1.403 -0.030) 1.660 3.980 ( -0.463 -2.147 -0.170) 2.203 3.992 ( -0.686 -2.382 0.361) 2.505 4.071 ( 0.591 -0.238 -0.521) 0.823 4.094 ( 0.529 -0.253 0.661) 0.884 4.244 ( -0.612 5.603 -0.625) 5.671 4.249 ( -0.100 4.595 0.465) 4.619 4.312 ( 2.229 1.214 -0.190) 2.546 4.325 ( 2.136 0.937 0.313) 2.354 4.726 ( 2.053 -1.482 0.167) 2.538 4.741 ( 1.334 -1.341 -0.277) 1.912 5.118 ( -7.648 -1.308 -0.307) 7.765 5.121 ( -8.047 -0.356 0.182) 8.057 5.485 ( 2.119 -2.040 -0.211) 2.950 5.492 ( 1.166 -0.898 0.069) 1.473 5.513 ( 4.652 -2.397 0.117) 5.235 5.527 ( 3.107 -1.069 0.004) 3.286 5.633 ( 3.161 2.681 -0.390) 4.163 5.643 ( 2.984 2.422 0.971) 3.964 5.934 ( -1.254 0.044 -0.092) 1.258 5.938 ( -1.385 -0.084 0.110) 1.392 6.134 ( -0.765 -0.723 -0.739) 1.286 6.160 ( -1.622 -1.072 0.801) 2.103 6.218 ( 1.001 -1.286 -0.215) 1.644 6.249 ( -0.243 -0.783 -0.337) 0.886 6.683 ( -0.136 -0.313 -0.186) 0.388 6.711 ( 0.302 -0.237 0.117) 0.401 6.715 ( 0.673 -0.071 0.088) 0.682 6.756 ( 1.813 -2.906 -0.776) 3.512 14.719 ( 0.063 0.262 -0.232) 0.356 14.725 ( 0.091 0.203 0.174) 0.282 14.833 ( -1.588 -0.928 0.595) 1.933 14.848 ( -2.402 -0.587 -0.558) 2.535 15.053 ( -0.146 1.393 -0.305) 1.433 15.074 ( 0.339 1.601 0.273) 1.659 15.156 ( 2.723 0.385 0.001) 2.751 15.197 ( 3.378 0.571 0.008) 3.426 15.390 ( -2.553 0.195 0.159) 2.566 15.421 ( -1.614 1.357 -0.934) 2.306 15.458 ( -2.841 0.086 0.612) 2.908 15.513 ( 0.391 1.385 0.074) 1.441 15.556 ( 1.668 -0.729 0.294) 1.844 15.586 ( 2.000 -0.812 -0.178) 2.166 15.859 ( 1.971 -2.000 0.602) 2.871 15.881 ( -0.190 -2.113 -0.742) 2.247 16.131 ( 1.188 -0.688 0.190) 1.386 16.169 ( -0.127 -1.070 -0.261) 1.109 16.228 ( -1.010 -1.747 -0.050) 2.019 16.296 ( -2.887 -2.780 -0.340) 4.022 17.528 ( 0.793 1.306 0.036) 1.529 17.561 ( -1.513 2.781 -0.322) 3.182 17.699 ( -1.609 -1.914 0.033) 2.500 17.722 ( -0.306 -1.136 -0.764) 1.403 17.829 ( 0.708 0.639 0.183) 0.971 17.901 ( 0.675 2.340 -0.806) 2.565 17.962 ( 0.539 -0.482 -0.909) 1.161 17.998 ( 3.462 -0.977 -1.058) 3.750 18.028 ( 0.855 -0.093 -0.079) 0.864 18.086 ( 0.419 3.384 0.238) 3.418 18.184 ( -2.065 3.423 0.712) 4.061 18.260 ( -0.463 0.558 -0.562) 0.918 18.484 ( 0.432 -0.418 0.368) 0.705 18.523 ( 0.212 0.778 -0.667) 1.046 18.573 ( 2.549 -0.909 0.490) 2.751 18.602 ( 0.746 0.718 -1.629) 1.930 18.651 ( 0.971 -1.399 4.081) 4.422 18.673 ( 1.744 1.100 -0.770) 2.201 18.864 ( -9.460 6.080 1.919) 11.407 18.983 ( -3.610 -0.335 0.999) 3.761 ======================= Grid point 7 (6/44) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 7.642 5.016 6.177) 11.033 0.585 ( 11.811 3.059 2.715) 12.500 0.753 ( -2.864 2.370 -6.482) 7.473 0.801 ( -7.097 2.220 -2.434) 7.825 0.836 ( 3.930 -0.440 -4.643) 6.098 0.920 ( -4.267 -1.557 3.141) 5.523 0.990 ( 0.822 1.656 0.404) 1.892 1.041 ( 4.308 6.048 -2.147) 7.730 1.059 ( -0.315 0.014 1.094) 1.138 1.124 ( 2.929 3.128 3.539) 5.558 1.143 ( -0.583 -0.279 -0.069) 0.650 1.218 ( -0.527 -1.059 0.313) 1.224 1.269 ( 4.050 1.967 2.921) 5.367 1.313 ( 3.304 0.953 -0.252) 3.448 1.347 ( 0.072 -1.316 -0.900) 1.596 1.364 ( 1.895 0.500 2.216) 2.959 1.407 ( 3.586 2.404 5.575) 7.051 1.436 ( -1.971 -2.018 -2.001) 3.459 1.482 ( -1.043 1.687 -1.876) 2.730 1.523 ( 0.210 -1.455 -1.541) 2.130 1.540 ( 0.832 -0.181 0.500) 0.988 1.552 ( -2.319 1.975 0.583) 3.102 1.586 ( 0.853 3.656 -2.018) 4.262 1.601 ( 0.763 0.012 4.311) 4.378 1.633 ( 0.645 3.276 -1.033) 3.495 1.657 ( -3.481 -1.229 -1.940) 4.171 1.719 ( -3.382 0.731 -0.983) 3.597 1.733 ( 0.418 -1.377 -2.869) 3.209 1.788 ( -2.425 0.042 -1.639) 2.927 1.825 ( 0.162 -1.492 1.066) 1.841 1.849 ( -0.873 0.413 -0.085) 0.970 1.955 ( 1.752 1.748 -3.018) 3.903 1.965 ( 1.528 -0.275 0.404) 1.605 1.972 ( 0.693 -2.621 -0.436) 2.746 1.995 ( 1.775 -1.985 0.072) 2.663 2.042 ( -2.499 -1.253 -2.834) 3.980 2.097 ( 2.073 -2.264 -1.138) 3.274 2.128 ( -0.007 -3.152 -0.241) 3.161 2.155 ( -0.926 -1.674 -1.585) 2.484 2.195 ( -6.730 0.604 3.725) 7.716 2.201 ( 1.538 -0.550 2.675) 3.134 2.222 ( 3.610 -0.953 1.163) 3.911 2.290 ( -4.063 -1.102 -1.297) 4.405 2.370 ( -2.519 -3.557 1.510) 4.613 2.397 ( -5.187 -0.727 -0.540) 5.265 2.444 ( 1.382 1.406 0.856) 2.149 2.550 ( -4.907 -1.487 -0.576) 5.160 2.573 ( -1.764 0.467 -0.421) 1.873 2.592 ( 3.098 -1.297 0.634) 3.418 2.653 ( 0.903 -1.489 0.835) 1.932 2.658 ( -1.077 -0.239 0.373) 1.164 2.715 ( -1.775 0.248 -0.319) 1.820 2.776 ( 0.328 2.384 0.427) 2.444 2.875 ( -1.724 -2.928 0.524) 3.438 2.901 ( 3.079 1.774 -0.375) 3.573 2.972 ( -2.858 -0.479 -0.008) 2.898 3.084 ( 1.091 0.238 0.593) 1.265 3.133 ( 4.042 -0.548 -0.331) 4.092 3.201 ( 0.039 0.547 -0.975) 1.119 3.223 ( -2.465 2.063 0.744) 3.299 3.286 ( 3.033 -0.614 0.219) 3.103 3.298 ( 1.920 0.358 -0.617) 2.049 3.362 ( -1.806 1.137 0.010) 2.134 3.406 ( -0.864 -0.368 -0.036) 0.940 3.611 ( 1.867 -2.159 0.148) 2.858 3.646 ( 2.256 -2.365 -0.078) 3.269 3.681 ( -0.654 -0.731 -0.140) 0.991 3.697 ( 0.278 -0.703 -0.109) 0.764 3.727 ( 0.054 0.834 0.265) 0.877 3.731 ( 0.536 1.880 -0.076) 1.957 3.740 ( 0.553 -0.304 0.010) 0.631 3.751 ( 0.155 0.235 -0.050) 0.286 3.796 ( -0.084 -1.003 -0.014) 1.006 3.811 ( 1.093 0.057 0.049) 1.096 3.856 ( -2.274 0.214 0.009) 2.284 3.872 ( -0.684 -0.893 0.216) 1.146 3.973 ( 0.427 4.216 -0.024) 4.238 3.999 ( 2.372 4.401 0.107) 5.001 4.056 ( -2.456 4.874 -0.290) 5.465 4.078 ( -2.055 5.461 0.309) 5.843 4.272 ( 3.118 0.662 -0.221) 3.195 4.284 ( 2.920 -0.675 0.137) 3.000 4.325 ( -1.036 -0.767 0.040) 1.289 4.339 ( -1.135 -1.466 0.028) 1.854 4.794 ( 4.440 -0.692 -0.164) 4.497 4.803 ( 5.115 -0.426 0.115) 5.134 4.960 ( -7.496 -0.861 -0.010) 7.545 4.965 ( -7.243 -0.691 -0.022) 7.275 5.509 ( 0.559 -1.397 -0.130) 1.511 5.520 ( 1.768 -2.098 0.023) 2.744 5.548 ( -0.727 -2.598 0.101) 2.699 5.552 ( 0.317 -2.678 0.157) 2.702 5.736 ( 6.793 1.557 -0.448) 6.983 5.761 ( 6.819 1.877 0.493) 7.090 5.871 ( -5.277 0.359 0.325) 5.299 5.879 ( -4.571 0.418 -0.376) 4.606 6.140 ( 0.609 -0.307 -0.155) 0.700 6.147 ( 0.558 -0.004 0.049) 0.560 6.214 ( -1.215 -0.333 0.359) 1.310 6.247 ( 0.235 -1.390 -0.372) 1.458 6.682 ( 0.083 -0.495 -0.133) 0.520 6.713 ( 0.019 -0.595 0.163) 0.617 6.728 ( 0.434 -0.336 0.087) 0.556 6.763 ( -0.104 -2.046 -0.521) 2.114 14.719 ( 0.050 -0.219 -0.274) 0.355 14.742 ( 1.269 -0.099 0.517) 1.374 14.794 ( -2.294 -0.668 -0.616) 2.467 14.807 ( -1.099 -0.354 0.376) 1.214 15.056 ( 0.297 1.526 -0.137) 1.560 15.086 ( 0.481 1.861 0.082) 1.924 15.199 ( 1.267 -0.290 0.008) 1.300 15.257 ( 2.083 -0.095 0.063) 2.086 15.356 ( -0.910 0.825 0.253) 1.254 15.385 ( -1.069 1.084 -0.982) 1.812 15.414 ( -1.697 1.667 0.572) 2.447 15.505 ( -0.509 1.887 -0.071) 1.955 15.592 ( 1.112 -1.432 0.232) 1.827 15.613 ( 0.796 -1.065 -0.066) 1.332 15.874 ( -0.074 -2.151 -0.427) 2.194 15.898 ( 1.199 -2.440 0.390) 2.747 16.160 ( 1.376 -1.124 0.442) 1.831 16.173 ( 0.629 -0.968 -0.262) 1.184 16.203 ( -1.097 -1.386 -0.333) 1.799 16.234 ( -2.716 -1.655 -0.122) 3.183 17.546 ( 0.761 0.800 0.023) 1.105 17.559 ( 0.493 1.437 -0.082) 1.522 17.664 ( -1.379 -1.574 0.031) 2.093 17.707 ( -0.616 -2.219 -0.216) 2.313 17.838 ( 0.259 1.711 -0.022) 1.731 17.919 ( 0.834 2.946 0.269) 3.073 17.960 ( -0.051 0.546 -0.923) 1.073 18.037 ( 0.375 -1.192 -0.562) 1.370 18.060 ( 3.291 1.303 -0.500) 3.575 18.107 ( 0.148 2.635 0.978) 2.815 18.139 ( -1.907 2.297 1.181) 3.211 18.213 ( -2.385 0.197 -2.101) 3.185 18.504 ( 0.467 -0.103 0.360) 0.598 18.551 ( 2.784 1.586 0.039) 3.204 18.596 ( -0.098 0.847 -1.660) 1.866 18.609 ( 0.566 0.753 0.009) 0.942 18.674 ( -2.319 -0.393 4.388) 4.979 18.681 ( -0.136 0.178 -1.079) 1.102 18.802 ( 2.860 1.922 0.089) 3.447 18.897 ( -5.202 0.063 0.572) 5.234 ======================= Grid point 10 (7/44) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 11.289 0.000) 11.289 0.558 ( 0.000 14.145 0.000) 14.145 0.858 ( 0.000 11.375 0.000) 11.375 0.872 ( 0.000 8.762 0.000) 8.762 0.965 ( 0.000 9.127 0.000) 9.127 1.012 ( 0.000 -3.281 0.000) 3.281 1.036 ( 0.000 6.607 0.000) 6.607 1.069 ( 0.000 8.834 0.000) 8.834 1.111 ( 0.000 -1.329 0.000) 1.329 1.160 ( 0.000 4.898 0.000) 4.898 1.187 ( 0.000 -1.078 0.000) 1.078 1.204 ( 0.000 -0.552 0.000) 0.552 1.237 ( 0.000 2.694 0.000) 2.694 1.302 ( 0.000 -0.959 0.000) 0.959 1.310 ( 0.000 0.318 0.000) 0.318 1.334 ( 0.000 -0.328 0.000) 0.328 1.370 ( 0.000 0.464 0.000) 0.464 1.429 ( 0.000 1.127 0.000) 1.127 1.450 ( 0.000 -0.105 0.000) 0.105 1.459 ( 0.000 0.069 0.000) 0.069 1.517 ( 0.000 1.977 0.000) 1.977 1.541 ( 0.000 3.043 0.000) 3.043 1.583 ( 0.000 0.276 0.000) 0.276 1.605 ( 0.000 2.407 0.000) 2.407 1.656 ( 0.000 -2.042 0.000) 2.042 1.685 ( 0.000 -3.235 0.000) 3.235 1.738 ( 0.000 -0.250 0.000) 0.250 1.788 ( 0.000 -2.661 0.000) 2.661 1.835 ( 0.000 0.339 0.000) 0.339 1.848 ( 0.000 -0.200 0.000) 0.200 1.872 ( 0.000 -1.064 0.000) 1.064 1.900 ( 0.000 -0.123 0.000) 0.123 1.906 ( 0.000 -6.374 0.000) 6.374 1.938 ( 0.000 -0.053 0.000) 0.053 1.963 ( 0.000 0.779 0.000) 0.779 1.993 ( 0.000 -4.113 0.000) 4.113 2.051 ( 0.000 -4.436 0.000) 4.436 2.103 ( 0.000 -2.572 0.000) 2.572 2.146 ( 0.000 -3.139 0.000) 3.139 2.206 ( 0.000 -6.314 0.000) 6.314 2.226 ( 0.000 -4.872 0.000) 4.872 2.229 ( 0.000 -2.376 0.000) 2.376 2.281 ( 0.000 -4.146 0.000) 4.146 2.360 ( 0.000 -2.317 0.000) 2.317 2.414 ( 0.000 -0.085 0.000) 0.085 2.463 ( 0.000 -0.184 0.000) 0.184 2.488 ( 0.000 0.648 0.000) 0.648 2.561 ( 0.000 -1.249 0.000) 1.249 2.648 ( 0.000 -0.764 0.000) 0.764 2.689 ( 0.000 -4.196 0.000) 4.196 2.700 ( 0.000 -2.725 0.000) 2.725 2.756 ( 0.000 0.706 0.000) 0.706 2.841 ( 0.000 3.397 0.000) 3.397 2.925 ( 0.000 6.368 0.000) 6.368 2.935 ( 0.000 -2.323 0.000) 2.323 2.974 ( 0.000 -0.905 0.000) 0.905 3.052 ( 0.000 -0.467 0.000) 0.467 3.083 ( 0.000 1.867 0.000) 1.867 3.111 ( 0.000 0.684 0.000) 0.684 3.187 ( 0.000 -1.031 0.000) 1.031 3.333 ( 0.000 1.393 0.000) 1.393 3.366 ( 0.000 1.942 0.000) 1.942 3.402 ( 0.000 3.856 0.000) 3.856 3.436 ( 0.000 1.846 0.000) 1.846 3.549 ( 0.000 1.160 0.000) 1.160 3.592 ( 0.000 1.654 0.000) 1.654 3.633 ( 0.000 -2.754 0.000) 2.754 3.665 ( 0.000 -2.530 0.000) 2.530 3.709 ( 0.000 1.615 0.000) 1.615 3.725 ( 0.000 1.282 0.000) 1.282 3.762 ( 0.000 0.871 0.000) 0.871 3.770 ( 0.000 -1.686 0.000) 1.686 3.773 ( 0.000 0.027 0.000) 0.027 3.790 ( 0.000 -0.483 0.000) 0.483 3.900 ( 0.000 0.347 0.000) 0.347 3.911 ( 0.000 2.426 0.000) 2.426 3.920 ( 0.000 0.885 0.000) 0.885 3.968 ( 0.000 2.391 0.000) 2.391 4.024 ( 0.000 -2.640 0.000) 2.640 4.045 ( 0.000 -2.487 0.000) 2.487 4.335 ( 0.000 2.045 0.000) 2.045 4.350 ( 0.000 2.351 0.000) 2.351 4.361 ( 0.000 2.882 0.000) 2.882 4.370 ( 0.000 2.191 0.000) 2.191 4.686 ( 0.000 1.580 0.000) 1.580 4.727 ( 0.000 2.666 0.000) 2.666 5.125 ( 0.000 -6.705 0.000) 6.705 5.171 ( 0.000 -5.424 0.000) 5.424 5.416 ( 0.000 0.332 0.000) 0.332 5.453 ( 0.000 0.212 0.000) 0.212 5.476 ( 0.000 0.094 0.000) 0.094 5.502 ( 0.000 -0.663 0.000) 0.663 5.666 ( 0.000 4.251 0.000) 4.251 5.683 ( 0.000 6.153 0.000) 6.153 5.937 ( 0.000 -1.055 0.000) 1.055 5.944 ( 0.000 -0.225 0.000) 0.225 6.131 ( 0.000 -1.364 0.000) 1.364 6.157 ( 0.000 -2.593 0.000) 2.593 6.157 ( 0.000 -1.475 0.000) 1.475 6.200 ( 0.000 -3.478 0.000) 3.478 6.687 ( 0.000 0.169 0.000) 0.169 6.698 ( 0.000 0.395 0.000) 0.395 6.703 ( 0.000 -0.383 0.000) 0.383 6.720 ( 0.000 -0.243 0.000) 0.243 14.737 ( 0.000 1.251 0.000) 1.251 14.745 ( 0.000 1.063 0.000) 1.063 14.822 ( 0.000 -1.421 0.000) 1.421 14.852 ( 0.000 -1.714 0.000) 1.714 15.085 ( 0.000 1.498 0.000) 1.498 15.113 ( 0.000 2.522 0.000) 2.522 15.137 ( 0.000 0.649 0.000) 0.649 15.179 ( 0.000 1.204 0.000) 1.204 15.435 ( 0.000 0.012 0.000) 0.012 15.462 ( 0.000 -0.941 0.000) 0.941 15.468 ( 0.000 0.564 0.000) 0.564 15.475 ( 0.000 -1.318 0.000) 1.318 15.567 ( 0.000 1.955 0.000) 1.955 15.585 ( 0.000 2.797 0.000) 2.797 15.785 ( 0.000 -3.207 0.000) 3.207 15.826 ( 0.000 -3.971 0.000) 3.971 16.110 ( 0.000 -0.191 0.000) 0.191 16.147 ( 0.000 -0.981 0.000) 0.981 16.194 ( 0.000 -2.448 0.000) 2.448 16.246 ( 0.000 -4.499 0.000) 4.499 17.557 ( 0.000 2.058 0.000) 2.058 17.644 ( 0.000 0.725 0.000) 0.725 17.672 ( 0.000 -1.827 0.000) 1.827 17.699 ( 0.000 -1.577 0.000) 1.577 17.840 ( 0.000 1.748 0.000) 1.748 17.920 ( 0.000 0.107 0.000) 0.107 17.935 ( 0.000 0.727 0.000) 0.727 17.938 ( 0.000 0.277 0.000) 0.277 18.078 ( 0.000 4.240 0.000) 4.240 18.169 ( 0.000 4.685 0.000) 4.685 18.259 ( 0.000 1.524 0.000) 1.524 18.336 ( 0.000 2.833 0.000) 2.833 18.483 ( 0.000 -0.241 0.000) 0.241 18.500 ( 0.000 -0.046 0.000) 0.046 18.549 ( 0.000 0.358 0.000) 0.358 18.590 ( 0.000 0.024 0.000) 0.024 18.612 ( 0.000 -0.845 0.000) 0.845 18.676 ( 0.000 0.334 0.000) 0.334 18.992 ( 0.000 -0.919 0.000) 0.919 19.006 ( 0.000 -1.172 0.000) 1.172 ======================= Grid point 11 (8/44) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 4.135 9.646 3.483) 11.058 0.566 ( 2.304 12.131 2.576) 12.614 0.810 ( -1.249 6.548 -4.790) 8.208 0.919 ( 2.256 1.860 0.244) 2.935 0.960 ( -0.697 6.148 -2.401) 6.637 0.973 ( -3.140 1.496 -0.534) 3.518 1.052 ( -1.435 5.344 -0.587) 5.564 1.088 ( -0.340 0.573 1.252) 1.418 1.107 ( -1.569 2.116 -0.287) 2.650 1.133 ( 0.618 4.606 -1.914) 5.026 1.188 ( 0.678 2.747 1.564) 3.233 1.198 ( -0.176 -0.727 3.507) 3.586 1.256 ( -1.098 0.713 1.374) 1.898 1.290 ( -0.618 -1.485 2.077) 2.627 1.327 ( 0.379 1.127 -2.683) 2.935 1.336 ( 2.081 -0.345 -0.212) 2.120 1.388 ( 2.326 5.243 2.598) 6.297 1.416 ( 0.294 -2.636 0.084) 2.653 1.472 ( 3.158 -1.558 -0.447) 3.549 1.499 ( -1.011 0.648 -0.216) 1.220 1.519 ( 1.414 2.991 3.634) 4.915 1.558 ( 0.065 0.206 -0.797) 0.826 1.577 ( 1.305 0.903 0.785) 1.771 1.632 ( 2.462 3.273 -1.026) 4.222 1.646 ( -0.853 -3.207 -1.167) 3.518 1.686 ( 0.980 1.940 0.523) 2.236 1.761 ( -0.098 0.182 -1.348) 1.364 1.800 ( -2.507 -1.198 -0.744) 2.877 1.822 ( -3.397 -0.580 -0.847) 3.549 1.836 ( 1.760 -1.839 -0.247) 2.557 1.854 ( -1.956 -0.525 -0.782) 2.171 1.872 ( 0.189 2.204 1.704) 2.792 1.904 ( 0.190 -4.510 -0.580) 4.551 1.924 ( 1.534 -4.067 2.712) 5.124 1.964 ( 0.153 -1.030 -2.529) 2.735 1.996 ( 1.308 -1.457 -1.349) 2.378 2.047 ( 0.521 -3.645 0.972) 3.808 2.100 ( 0.279 -1.386 -5.333) 5.517 2.141 ( 0.726 -2.711 -1.207) 3.055 2.158 ( -3.043 -2.968 -1.072) 4.384 2.205 ( -1.573 -2.306 0.028) 2.792 2.250 ( -1.085 -2.927 -1.084) 3.304 2.262 ( 0.809 -2.733 0.975) 3.012 2.408 ( 3.492 -4.242 1.441) 5.681 2.452 ( 0.943 -1.116 0.370) 1.507 2.478 ( 1.163 -3.700 1.619) 4.203 2.512 ( 0.828 3.343 0.704) 3.516 2.544 ( -5.295 0.033 0.407) 5.311 2.591 ( -4.681 1.392 0.111) 4.885 2.635 ( -1.856 -2.692 1.413) 3.562 2.682 ( -1.287 -1.592 0.350) 2.077 2.728 ( -1.497 -2.082 1.313) 2.881 2.864 ( 0.088 2.908 -2.620) 3.915 2.898 ( -1.357 2.068 -1.251) 2.772 2.903 ( -4.986 -0.093 1.338) 5.163 2.977 ( -0.339 -0.575 1.441) 1.588 3.045 ( 3.661 0.489 0.340) 3.709 3.085 ( -0.219 0.502 -0.947) 1.094 3.149 ( 3.204 -0.854 -0.377) 3.338 3.234 ( 2.778 -1.433 0.936) 3.263 3.294 ( -2.325 2.666 -1.067) 3.695 3.331 ( -2.164 3.051 0.836) 3.833 3.408 ( -1.067 0.802 -0.001) 1.335 3.432 ( -0.885 -0.019 0.010) 0.886 3.559 ( 1.090 0.476 0.130) 1.196 3.589 ( 0.292 -0.205 -0.341) 0.493 3.646 ( 0.598 -2.211 0.377) 2.321 3.666 ( -0.173 -2.337 -0.263) 2.358 3.721 ( 1.304 1.364 -0.176) 1.895 3.738 ( 1.314 1.455 0.135) 1.965 3.765 ( 0.501 0.938 0.067) 1.066 3.775 ( 0.640 2.181 -0.478) 2.323 3.785 ( 0.124 0.567 -0.027) 0.581 3.800 ( 0.771 0.800 0.328) 1.158 3.892 ( -1.306 0.233 0.436) 1.397 3.909 ( -1.253 -0.195 -0.042) 1.269 3.963 ( 4.717 0.494 0.083) 4.744 3.996 ( 3.352 1.934 -0.211) 3.875 4.073 ( 4.263 0.246 0.172) 4.274 4.089 ( 4.491 -0.191 -0.056) 4.496 4.321 ( -2.400 0.939 -0.353) 2.601 4.334 ( -1.239 0.244 0.276) 1.293 4.344 ( -2.182 3.140 -0.047) 3.824 4.350 ( -1.041 3.337 0.205) 3.502 4.711 ( 2.679 0.993 0.123) 2.860 4.737 ( 1.326 2.056 -0.216) 2.455 5.063 ( -5.760 -4.735 0.062) 7.456 5.090 ( -7.020 -3.272 0.040) 7.745 5.440 ( 1.475 -1.937 0.098) 2.437 5.461 ( 0.921 -1.491 -0.236) 1.769 5.484 ( 0.459 -1.050 -0.024) 1.146 5.501 ( -0.171 -1.792 0.189) 1.810 5.699 ( 3.233 4.377 -0.003) 5.442 5.720 ( 3.432 5.018 0.209) 6.083 5.929 ( -1.132 -1.017 -0.137) 1.528 5.931 ( -1.669 -0.603 0.136) 1.780 6.120 ( 0.277 -0.571 -0.394) 0.747 6.138 ( -0.369 -0.863 0.477) 1.053 6.188 ( 1.540 -1.822 -0.235) 2.398 6.219 ( 0.861 -2.200 0.021) 2.362 6.679 ( -0.554 -0.086 -0.088) 0.567 6.702 ( -0.090 -0.563 0.253) 0.624 6.711 ( 0.637 -0.404 -0.063) 0.757 6.720 ( 0.138 -0.951 -0.234) 0.989 14.730 ( -0.467 0.893 -0.310) 1.055 14.735 ( -0.577 0.755 0.152) 0.962 14.809 ( -1.313 -1.389 0.520) 1.981 14.830 ( -1.933 -1.354 -0.432) 2.399 15.087 ( 0.292 1.952 -0.158) 1.980 15.118 ( 0.719 2.821 0.170) 2.916 15.162 ( 1.794 0.020 0.182) 1.803 15.209 ( 2.554 0.490 -0.262) 2.614 15.399 ( -1.727 0.833 -0.049) 1.918 15.437 ( -1.904 0.245 0.312) 1.945 15.470 ( -0.284 0.583 -0.758) 0.998 15.516 ( 2.442 -1.472 0.632) 2.920 15.570 ( -0.448 2.096 -0.525) 2.207 15.582 ( 0.552 1.735 0.317) 1.848 15.803 ( 1.336 -3.622 0.703) 3.924 15.821 ( -0.174 -3.904 -0.688) 3.968 16.118 ( 0.678 -0.501 0.268) 0.885 16.146 ( 0.099 -1.037 -0.426) 1.125 16.187 ( -0.678 -2.232 -0.162) 2.338 16.229 ( -1.634 -3.689 0.095) 4.036 17.558 ( 0.148 1.667 0.056) 1.674 17.604 ( -2.011 1.568 0.017) 2.550 17.663 ( -1.473 -1.892 -0.048) 2.398 17.688 ( -1.143 -2.070 -0.400) 2.398 17.859 ( 1.757 2.321 0.037) 2.911 17.939 ( 1.625 1.643 -0.662) 2.404 17.963 ( 1.834 0.448 -0.131) 1.893 17.978 ( 3.908 -0.568 -0.338) 3.963 18.070 ( -0.564 3.518 -0.083) 3.564 18.164 ( -0.398 4.333 0.421) 4.371 18.236 ( -2.883 1.237 1.114) 3.329 18.299 ( -2.842 1.902 -1.284) 3.653 18.487 ( 1.234 1.050 0.313) 1.650 18.537 ( 1.937 0.157 -0.473) 2.000 18.554 ( 1.326 -0.246 1.016) 1.689 18.614 ( 0.527 0.132 -0.333) 0.637 18.622 ( 1.496 -1.212 1.121) 2.228 18.685 ( 1.512 -0.027 -0.914) 1.767 18.928 ( -5.982 1.451 -0.118) 6.157 18.968 ( -3.282 -0.998 1.016) 3.577 ======================= Grid point 12 (9/44) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 8.237 4.825 4.059) 10.373 0.673 ( 5.393 7.611 3.446) 9.944 0.808 ( 2.387 2.993 -4.948) 6.256 0.860 ( -5.093 2.852 -1.277) 5.975 0.880 ( -5.165 3.904 -3.759) 7.487 0.910 ( -4.119 1.275 2.104) 4.797 1.031 ( -0.404 1.659 0.056) 1.709 1.058 ( -0.656 -0.008 0.064) 0.659 1.086 ( -0.929 -0.742 -0.670) 1.365 1.148 ( -1.206 -1.400 0.860) 2.038 1.163 ( 1.418 0.774 -2.172) 2.707 1.234 ( -0.977 3.108 2.571) 4.150 1.274 ( 1.102 -1.021 1.967) 2.476 1.299 ( 0.977 -1.185 0.732) 1.701 1.337 ( 2.534 0.340 -0.606) 2.628 1.384 ( -0.450 -1.401 -1.128) 1.854 1.397 ( 2.199 -1.802 0.419) 2.874 1.456 ( -1.946 -1.380 1.021) 2.595 1.487 ( 0.074 2.910 2.102) 3.591 1.504 ( 1.471 0.923 -1.769) 2.480 1.541 ( -0.990 -0.881 1.835) 2.264 1.586 ( 2.037 0.791 1.041) 2.420 1.608 ( 0.296 0.477 1.309) 1.424 1.624 ( -0.595 -0.549 -1.792) 1.966 1.663 ( 0.077 2.155 -0.944) 2.354 1.681 ( -1.436 3.204 0.164) 3.515 1.708 ( -3.269 -0.700 -2.029) 3.911 1.750 ( 0.109 1.015 -1.652) 1.942 1.774 ( 3.287 3.107 0.880) 4.608 1.839 ( 0.185 0.872 2.515) 2.668 1.875 ( -0.869 -0.531 -0.456) 1.116 1.910 ( 1.784 -3.718 0.283) 4.133 1.943 ( 1.569 0.179 -0.249) 1.599 1.954 ( 1.034 -2.143 0.287) 2.397 1.979 ( 1.180 -0.341 -0.309) 1.267 2.031 ( 3.440 -2.286 -1.084) 4.270 2.059 ( -0.674 0.798 -1.812) 2.091 2.068 ( 0.175 -2.478 -1.119) 2.724 2.104 ( 0.707 -1.611 -3.292) 3.733 2.176 ( 3.494 -1.131 -1.730) 4.060 2.201 ( -0.430 0.106 1.085) 1.172 2.222 ( 0.258 -1.288 0.150) 1.322 2.282 ( -5.134 -0.465 1.757) 5.446 2.321 ( -6.270 -0.049 1.367) 6.417 2.397 ( -4.642 0.600 -0.983) 4.782 2.454 ( -0.828 -0.066 1.881) 2.056 2.505 ( -0.982 -3.060 -0.171) 3.218 2.550 ( 3.120 -2.242 -0.226) 3.849 2.594 ( 1.995 0.584 -0.352) 2.108 2.634 ( -0.469 -1.434 0.647) 1.642 2.644 ( -0.916 0.295 1.308) 1.623 2.703 ( -2.476 -1.066 0.369) 2.721 2.811 ( -0.587 -1.575 -0.827) 1.873 2.852 ( -2.169 2.893 0.541) 3.656 2.899 ( 1.277 -1.560 -2.435) 3.161 2.941 ( -2.738 -2.352 2.392) 4.330 3.103 ( 1.241 1.116 0.054) 1.670 3.135 ( 4.253 0.779 -0.044) 4.324 3.192 ( 1.071 -1.492 -0.668) 1.954 3.242 ( -2.176 -0.414 0.367) 2.246 3.289 ( 1.514 1.103 0.185) 1.882 3.317 ( 1.263 1.608 -0.290) 2.065 3.375 ( -1.847 -0.033 0.228) 1.861 3.389 ( -2.922 -1.319 0.009) 3.206 3.580 ( 0.583 -1.155 -0.064) 1.296 3.608 ( 1.501 -1.263 0.205) 1.973 3.644 ( -1.020 -2.384 -0.423) 2.627 3.663 ( 0.154 -2.024 0.211) 2.041 3.748 ( 1.152 1.811 -0.035) 2.147 3.764 ( 0.893 1.440 -0.100) 1.697 3.768 ( -0.501 2.312 -0.065) 2.367 3.789 ( 0.234 2.760 -0.001) 2.770 3.793 ( 1.525 0.834 -0.029) 1.739 3.817 ( 1.334 0.822 0.192) 1.579 3.860 ( -1.829 -0.467 0.268) 1.907 3.866 ( -2.629 0.465 -0.112) 2.672 4.061 ( 4.002 3.689 0.164) 5.445 4.085 ( 5.018 3.822 -0.201) 6.311 4.152 ( 1.817 4.349 -0.049) 4.713 4.175 ( 2.513 3.924 0.058) 4.660 4.261 ( -1.850 -1.354 0.035) 2.293 4.293 ( -1.061 -0.633 -0.025) 1.236 4.306 ( -2.311 0.237 -0.187) 2.330 4.324 ( -1.780 0.784 0.245) 1.960 4.787 ( 3.802 0.148 -0.033) 3.805 4.795 ( 5.757 0.195 -0.099) 5.762 4.935 ( -6.332 -1.890 -0.120) 6.610 4.939 ( -7.760 -1.829 0.275) 7.978 5.465 ( 1.043 -2.782 -0.048) 2.971 5.477 ( 0.469 -2.280 -0.052) 2.329 5.485 ( -0.138 -3.242 -0.182) 3.250 5.495 ( -0.550 -3.096 0.299) 3.158 5.775 ( 4.036 2.406 -0.339) 4.711 5.803 ( 4.458 2.292 0.485) 5.036 5.878 ( -3.362 0.242 0.214) 3.378 5.884 ( -3.309 -0.053 -0.295) 3.323 6.139 ( 0.807 0.328 -0.033) 0.872 6.153 ( 1.567 0.691 0.007) 1.712 6.204 ( -0.045 -0.811 0.132) 0.823 6.221 ( -0.313 -1.202 -0.147) 1.251 6.672 ( -0.055 -0.449 -0.061) 0.457 6.698 ( -0.357 -0.942 0.159) 1.020 6.715 ( 0.029 -0.902 0.037) 0.903 6.723 ( 0.127 -1.799 -0.241) 1.820 14.717 ( -0.445 0.100 -0.274) 0.532 14.742 ( 1.023 0.063 0.605) 1.190 14.778 ( -2.021 -0.912 -0.589) 2.294 14.795 ( -0.842 -0.787 0.240) 1.177 15.094 ( 0.300 2.200 -0.103) 2.222 15.136 ( 0.661 3.079 0.076) 3.150 15.189 ( 0.709 -0.741 0.123) 1.033 15.251 ( 1.379 -0.501 -0.133) 1.474 15.380 ( -0.386 1.573 0.114) 1.623 15.409 ( -0.914 1.475 0.007) 1.735 15.455 ( -0.527 1.773 -0.349) 1.883 15.551 ( 0.069 -0.969 -0.072) 0.974 15.559 ( 0.408 1.736 0.137) 1.789 15.598 ( 0.527 0.285 0.122) 0.611 15.815 ( -0.081 -3.862 -0.376) 3.881 15.830 ( 0.765 -4.313 0.389) 4.398 16.136 ( 0.799 -1.197 0.422) 1.500 16.148 ( 0.130 -1.415 -0.555) 1.525 16.172 ( -0.278 -1.554 -0.411) 1.632 16.194 ( -1.663 -2.173 0.372) 2.761 17.564 ( 0.341 0.993 0.039) 1.051 17.586 ( -0.044 1.220 -0.008) 1.221 17.632 ( -1.175 -1.563 0.012) 1.955 17.660 ( -1.050 -2.186 -0.157) 2.431 17.894 ( 1.367 3.610 -0.213) 3.866 17.969 ( 1.177 2.122 1.062) 2.649 17.987 ( 0.576 1.722 -1.117) 2.132 18.027 ( 0.462 0.397 -0.500) 0.788 18.084 ( 3.043 0.936 -0.734) 3.268 18.168 ( -3.131 2.386 1.118) 4.092 18.176 ( 0.230 1.970 1.714) 2.621 18.231 ( -2.813 1.472 -2.004) 3.755 18.509 ( 0.499 0.850 -0.011) 0.986 18.568 ( 0.753 -0.392 0.525) 0.997 18.597 ( 2.612 -0.403 -0.344) 2.665 18.629 ( -0.042 0.467 -0.526) 0.704 18.646 ( 1.856 -0.370 1.479) 2.402 18.705 ( -1.059 0.602 -0.686) 1.397 18.838 ( -0.599 1.716 -0.365) 1.854 18.894 ( -4.562 -0.372 0.966) 4.678 ======================= Grid point 15 (10/44) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 9.909 0.000) 9.909 0.822 ( 0.000 12.421 0.000) 12.421 0.837 ( 0.000 -7.295 0.000) 7.295 0.996 ( 0.000 -3.093 0.000) 3.093 1.044 ( 0.000 7.273 0.000) 7.273 1.091 ( 0.000 0.665 0.000) 0.665 1.106 ( 0.000 1.962 0.000) 1.962 1.136 ( 0.000 2.767 0.000) 2.767 1.159 ( 0.000 0.206 0.000) 0.206 1.172 ( 0.000 -1.896 0.000) 1.896 1.209 ( 0.000 2.781 0.000) 2.781 1.248 ( 0.000 0.753 0.000) 0.753 1.278 ( 0.000 0.629 0.000) 0.629 1.288 ( 0.000 -2.252 0.000) 2.252 1.309 ( 0.000 0.653 0.000) 0.653 1.352 ( 0.000 -0.608 0.000) 0.608 1.360 ( 0.000 4.410 0.000) 4.410 1.432 ( 0.000 -0.850 0.000) 0.850 1.492 ( 0.000 5.940 0.000) 5.940 1.497 ( 0.000 2.170 0.000) 2.170 1.542 ( 0.000 -1.849 0.000) 1.849 1.576 ( 0.000 -0.639 0.000) 0.639 1.604 ( 0.000 2.559 0.000) 2.559 1.611 ( 0.000 0.854 0.000) 0.854 1.663 ( 0.000 1.638 0.000) 1.638 1.681 ( 0.000 2.815 0.000) 2.815 1.734 ( 0.000 -2.006 0.000) 2.006 1.737 ( 0.000 -3.127 0.000) 3.127 1.778 ( 0.000 -3.635 0.000) 3.635 1.779 ( 0.000 -4.110 0.000) 4.110 1.836 ( 0.000 -1.334 0.000) 1.334 1.855 ( 0.000 -2.017 0.000) 2.017 1.900 ( 0.000 0.985 0.000) 0.985 1.930 ( 0.000 -1.513 0.000) 1.513 1.934 ( 0.000 -1.666 0.000) 1.666 1.951 ( 0.000 -1.903 0.000) 1.903 2.008 ( 0.000 2.014 0.000) 2.014 2.076 ( 0.000 -2.880 0.000) 2.880 2.106 ( 0.000 0.063 0.000) 0.063 2.118 ( 0.000 0.288 0.000) 0.288 2.144 ( 0.000 -2.413 0.000) 2.413 2.174 ( 0.000 -4.444 0.000) 4.444 2.226 ( 0.000 0.199 0.000) 0.199 2.281 ( 0.000 -4.934 0.000) 4.934 2.434 ( 0.000 2.316 0.000) 2.316 2.475 ( 0.000 -0.133 0.000) 0.133 2.521 ( 0.000 2.669 0.000) 2.669 2.553 ( 0.000 -0.047 0.000) 0.047 2.607 ( 0.000 -3.723 0.000) 3.723 2.611 ( 0.000 -2.653 0.000) 2.653 2.680 ( 0.000 1.890 0.000) 1.890 2.737 ( 0.000 -2.604 0.000) 2.604 2.883 ( 0.000 1.020 0.000) 1.020 2.900 ( 0.000 -1.193 0.000) 1.193 2.970 ( 0.000 0.656 0.000) 0.656 2.987 ( 0.000 -0.340 0.000) 0.340 3.083 ( 0.000 3.367 0.000) 3.367 3.115 ( 0.000 0.466 0.000) 0.466 3.131 ( 0.000 1.395 0.000) 1.395 3.162 ( 0.000 -1.571 0.000) 1.571 3.374 ( 0.000 2.783 0.000) 2.783 3.407 ( 0.000 2.130 0.000) 2.130 3.425 ( 0.000 -1.564 0.000) 1.564 3.441 ( 0.000 -1.044 0.000) 1.044 3.567 ( 0.000 0.549 0.000) 0.549 3.588 ( 0.000 -1.776 0.000) 1.776 3.609 ( 0.000 0.521 0.000) 0.521 3.626 ( 0.000 -1.361 0.000) 1.361 3.736 ( 0.000 0.975 0.000) 0.975 3.747 ( 0.000 0.710 0.000) 0.710 3.757 ( 0.000 -0.995 0.000) 0.995 3.763 ( 0.000 -0.818 0.000) 0.818 3.814 ( 0.000 5.994 0.000) 5.994 3.833 ( 0.000 5.284 0.000) 5.284 3.923 ( 0.000 -2.169 0.000) 2.169 3.934 ( 0.000 2.162 0.000) 2.162 3.935 ( 0.000 -4.997 0.000) 4.997 3.964 ( 0.000 2.693 0.000) 2.693 3.983 ( 0.000 -3.347 0.000) 3.347 4.004 ( 0.000 -0.951 0.000) 0.951 4.358 ( 0.000 0.605 0.000) 0.605 4.371 ( 0.000 -0.905 0.000) 0.905 4.374 ( 0.000 0.316 0.000) 0.316 4.375 ( 0.000 -0.105 0.000) 0.105 4.791 ( 0.000 8.204 0.000) 8.204 4.849 ( 0.000 8.718 0.000) 8.718 4.966 ( 0.000 -9.085 0.000) 9.085 5.027 ( 0.000 -8.818 0.000) 8.818 5.434 ( 0.000 1.471 0.000) 1.471 5.459 ( 0.000 0.498 0.000) 0.498 5.467 ( 0.000 -1.247 0.000) 1.247 5.474 ( 0.000 -1.376 0.000) 1.376 5.778 ( 0.000 6.453 0.000) 6.453 5.819 ( 0.000 6.797 0.000) 6.797 5.888 ( 0.000 -4.267 0.000) 4.267 5.919 ( 0.000 -2.979 0.000) 2.979 6.109 ( 0.000 -0.685 0.000) 0.685 6.114 ( 0.000 -1.351 0.000) 1.351 6.131 ( 0.000 -0.840 0.000) 0.840 6.139 ( 0.000 -2.023 0.000) 2.023 6.691 ( 0.000 0.261 0.000) 0.261 6.696 ( 0.000 -0.317 0.000) 0.317 6.706 ( 0.000 0.425 0.000) 0.425 6.714 ( 0.000 -0.347 0.000) 0.347 14.768 ( 0.000 1.291 0.000) 1.291 14.770 ( 0.000 2.038 0.000) 2.038 14.794 ( 0.000 -1.393 0.000) 1.393 14.813 ( 0.000 -2.239 0.000) 2.239 15.115 ( 0.000 1.489 0.000) 1.489 15.138 ( 0.000 -0.638 0.000) 0.638 15.164 ( 0.000 2.300 0.000) 2.300 15.190 ( 0.000 -0.277 0.000) 0.277 15.433 ( 0.000 0.008 0.000) 0.008 15.442 ( 0.000 -0.937 0.000) 0.937 15.461 ( 0.000 -0.074 0.000) 0.074 15.466 ( 0.000 -0.436 0.000) 0.436 15.632 ( 0.000 4.244 0.000) 4.244 15.651 ( 0.000 3.899 0.000) 3.899 15.714 ( 0.000 -3.976 0.000) 3.976 15.738 ( 0.000 -4.796 0.000) 4.796 16.118 ( 0.000 1.104 0.000) 1.104 16.140 ( 0.000 0.402 0.000) 0.402 16.150 ( 0.000 -1.994 0.000) 1.994 16.170 ( 0.000 -2.900 0.000) 2.900 17.596 ( 0.000 1.876 0.000) 1.876 17.633 ( 0.000 -2.010 0.000) 2.010 17.655 ( 0.000 0.583 0.000) 0.583 17.671 ( 0.000 -1.131 0.000) 1.131 17.881 ( 0.000 2.173 0.000) 2.173 17.914 ( 0.000 -1.013 0.000) 1.013 17.949 ( 0.000 0.526 0.000) 0.526 17.949 ( 0.000 0.485 0.000) 0.485 18.168 ( 0.000 4.614 0.000) 4.614 18.244 ( 0.000 -2.787 0.000) 2.787 18.261 ( 0.000 4.477 0.000) 4.477 18.334 ( 0.000 -2.604 0.000) 2.604 18.506 ( 0.000 1.683 0.000) 1.683 18.508 ( 0.000 0.710 0.000) 0.710 18.550 ( 0.000 -0.043 0.000) 0.043 18.573 ( 0.000 -1.584 0.000) 1.584 18.624 ( 0.000 2.050 0.000) 2.050 18.664 ( 0.000 -1.551 0.000) 1.551 18.980 ( 0.000 -0.182 0.000) 0.182 18.986 ( 0.000 -0.741 0.000) 0.741 ======================= Grid point 16 (11/44) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 1.715 8.541 2.177) 8.980 0.788 ( -1.061 6.736 1.043) 6.898 0.857 ( -0.556 -1.142 2.301) 2.628 0.961 ( -2.540 5.897 -3.868) 7.496 0.997 ( -3.086 -2.784 -0.174) 4.160 1.052 ( -1.390 2.133 -0.818) 2.674 1.081 ( -5.055 -0.420 -0.482) 5.095 1.103 ( -0.771 1.913 -1.549) 2.580 1.119 ( -2.473 0.141 -0.681) 2.569 1.155 ( -3.042 0.031 0.048) 3.043 1.173 ( -1.540 -3.415 -0.088) 3.747 1.213 ( -3.009 -2.266 0.988) 3.894 1.277 ( -0.414 1.331 0.865) 1.641 1.291 ( 0.182 0.099 1.420) 1.435 1.313 ( 1.343 1.351 0.799) 2.066 1.357 ( 0.216 -2.664 -0.104) 2.674 1.390 ( 0.430 3.496 -1.979) 4.040 1.440 ( 0.221 -1.069 0.568) 1.230 1.504 ( -0.522 2.821 0.038) 2.869 1.544 ( -1.489 -0.513 0.246) 1.594 1.558 ( 2.048 3.794 2.626) 5.048 1.588 ( 2.845 2.969 0.707) 4.173 1.605 ( 0.369 2.068 1.266) 2.452 1.631 ( 1.689 3.414 0.275) 3.819 1.669 ( 4.325 0.735 -2.061) 4.848 1.730 ( 0.054 -3.043 1.112) 3.240 1.738 ( 0.358 -0.540 0.497) 0.816 1.749 ( 0.643 -3.847 1.127) 4.060 1.781 ( 0.140 -0.940 -0.373) 1.021 1.802 ( -0.397 -1.952 -2.279) 3.027 1.817 ( 0.921 -0.310 0.604) 1.144 1.869 ( 2.211 -2.846 0.348) 3.621 1.879 ( -1.688 2.364 0.775) 3.006 1.924 ( 1.565 2.699 0.304) 3.135 1.957 ( 1.211 -3.466 -0.491) 3.704 1.970 ( 0.881 1.053 -1.152) 1.792 1.986 ( 0.229 -0.905 0.869) 1.275 2.060 ( 1.200 -4.702 -1.003) 4.955 2.110 ( -0.935 -0.150 -1.087) 1.441 2.118 ( -0.473 0.199 -1.858) 1.927 2.154 ( 2.045 -0.112 -0.468) 2.101 2.196 ( 1.640 -3.940 -0.487) 4.296 2.228 ( 0.854 0.790 -1.624) 1.998 2.300 ( 3.927 -6.012 -2.840) 7.722 2.436 ( -0.414 0.939 0.879) 1.351 2.454 ( -0.936 -0.021 -0.024) 0.937 2.549 ( -0.607 0.241 0.914) 1.124 2.574 ( -2.069 -1.637 0.411) 2.670 2.584 ( 0.814 1.551 2.893) 3.382 2.615 ( -0.614 -0.169 -0.460) 0.785 2.667 ( -1.169 0.796 -1.142) 1.818 2.690 ( -3.429 -1.246 2.130) 4.225 2.880 ( -1.308 -0.650 2.341) 2.760 2.887 ( -2.463 -1.124 0.853) 2.839 2.928 ( -2.933 1.898 -2.782) 4.467 2.962 ( -1.951 -1.502 -0.766) 2.578 3.083 ( 1.165 2.048 0.035) 2.356 3.123 ( 1.150 0.276 -0.371) 1.239 3.126 ( 0.591 1.859 -0.080) 1.952 3.195 ( 1.677 -2.738 1.088) 3.390 3.346 ( -2.060 2.618 -0.286) 3.344 3.380 ( -1.932 1.309 0.610) 2.412 3.398 ( -2.434 -0.994 -0.426) 2.663 3.419 ( -2.041 -1.174 -0.117) 2.357 3.570 ( 0.177 0.414 0.078) 0.457 3.579 ( -0.233 -0.624 -0.150) 0.683 3.617 ( 0.388 -0.503 0.190) 0.663 3.626 ( 0.034 -1.424 -0.350) 1.467 3.751 ( 1.609 1.468 -0.199) 2.187 3.769 ( 1.818 1.434 0.235) 2.328 3.773 ( 1.139 -0.478 -0.004) 1.235 3.792 ( 1.456 -0.652 0.069) 1.597 3.834 ( 0.703 3.518 -0.053) 3.588 3.841 ( 0.687 3.691 0.027) 3.754 3.884 ( -2.019 -1.143 -0.002) 2.320 3.899 ( -1.791 -1.540 0.062) 2.363 3.989 ( 5.243 2.283 0.320) 5.727 4.029 ( 4.816 1.869 -0.233) 5.171 4.051 ( 5.819 -3.023 0.366) 6.567 4.072 ( 6.293 -1.794 -0.305) 6.551 4.339 ( -2.160 0.895 0.030) 2.338 4.344 ( -2.063 1.755 0.007) 2.709 4.361 ( -1.218 -0.821 -0.028) 1.469 4.376 ( -0.934 -0.783 0.038) 1.219 4.790 ( 0.094 6.648 0.182) 6.651 4.836 ( -0.979 7.289 -0.228) 7.358 4.939 ( -2.702 -7.487 0.199) 7.962 4.987 ( -3.787 -7.021 -0.136) 7.978 5.426 ( -0.581 0.589 0.240) 0.861 5.447 ( -0.716 -0.275 -0.292) 0.820 5.459 ( -1.083 -1.613 0.108) 1.946 5.464 ( -0.874 -1.269 -0.060) 1.542 5.796 ( 1.517 5.160 0.226) 5.383 5.822 ( 0.530 4.883 -0.013) 4.912 5.887 ( -0.321 -3.326 -0.003) 3.341 5.902 ( -1.427 -2.658 -0.116) 3.019 6.120 ( 1.667 0.759 -0.126) 1.836 6.136 ( 1.619 0.561 0.317) 1.743 6.151 ( 1.982 -1.621 -0.306) 2.579 6.172 ( 2.106 -2.344 0.094) 3.152 6.681 ( -0.763 0.382 -0.020) 0.854 6.692 ( -0.549 -0.574 0.098) 0.800 6.704 ( -0.224 -0.058 -0.069) 0.241 6.709 ( -0.498 -0.425 -0.027) 0.656 14.751 ( -1.428 1.003 -0.200) 1.756 14.754 ( -1.200 1.102 -0.019) 1.629 14.784 ( -0.889 -0.880 0.337) 1.296 14.798 ( -1.218 -1.705 -0.164) 2.102 15.125 ( 0.709 1.779 0.032) 1.916 15.153 ( 1.062 -0.978 0.180) 1.455 15.174 ( 1.066 2.568 0.011) 2.781 15.208 ( 1.618 -0.789 -0.280) 1.822 15.422 ( -0.539 1.412 -0.199) 1.524 15.443 ( -0.174 0.078 0.719) 0.744 15.461 ( 0.097 -0.617 -1.000) 1.179 15.481 ( 1.121 -1.841 0.329) 2.180 15.631 ( -0.041 4.296 -0.048) 4.297 15.650 ( -0.157 4.184 0.069) 4.187 15.721 ( 0.453 -4.642 0.360) 4.678 15.736 ( -0.009 -4.579 -0.259) 4.587 16.118 ( 0.066 0.615 -0.034) 0.619 16.134 ( -0.250 -0.429 -0.901) 1.029 16.151 ( -0.105 -1.023 0.354) 1.087 16.167 ( -0.478 -2.325 0.456) 2.417 17.590 ( -0.477 1.581 0.047) 1.652 17.619 ( -1.277 -0.870 0.486) 1.620 17.634 ( -1.458 0.083 -0.531) 1.554 17.653 ( -1.490 -1.411 -0.127) 2.056 17.911 ( 2.738 2.722 -0.021) 3.861 17.952 ( 2.992 -1.006 0.059) 3.157 17.972 ( 2.191 0.369 -0.074) 2.223 17.974 ( 2.441 0.242 -0.803) 2.581 18.148 ( -1.929 4.133 0.446) 4.583 18.215 ( -2.613 -1.953 0.567) 3.311 18.252 ( -1.170 3.256 0.281) 3.471 18.305 ( -2.287 -1.447 -1.015) 2.890 18.526 ( 1.681 2.395 0.047) 2.927 18.533 ( 1.589 0.241 0.882) 1.833 18.553 ( 0.505 -0.413 -0.238) 0.694 18.585 ( 0.691 -2.248 0.828) 2.494 18.636 ( 1.447 1.781 -0.523) 2.354 18.671 ( 1.166 -1.389 -0.712) 1.949 18.943 ( -3.782 0.413 -0.020) 3.805 18.952 ( -3.090 -0.598 0.550) 3.195 ======================= Grid point 17 (12/44) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 3.089 4.691 2.492) 6.145 0.818 ( 2.412 2.597 2.446) 4.306 0.839 ( -1.355 2.725 1.033) 3.214 0.910 ( -0.861 3.322 -1.693) 3.827 0.930 ( -3.183 -0.403 -1.313) 3.467 0.963 ( -4.981 1.601 -2.244) 5.693 1.032 ( -0.536 -0.054 -0.569) 0.784 1.047 ( -2.006 -1.234 0.237) 2.367 1.087 ( -0.383 1.347 -1.228) 1.863 1.125 ( -1.060 0.385 0.953) 1.477 1.158 ( 0.369 -2.190 -1.172) 2.511 1.175 ( -1.397 -4.455 0.649) 4.714 1.295 ( 1.466 0.191 0.521) 1.567 1.302 ( 0.852 0.592 0.704) 1.254 1.343 ( 2.166 0.235 -0.177) 2.186 1.366 ( -0.289 -0.614 0.576) 0.891 1.379 ( -0.047 1.798 -0.387) 1.840 1.426 ( -1.736 -2.423 -0.373) 3.004 1.470 ( -2.151 -1.677 -0.185) 2.734 1.478 ( -4.304 -1.828 -0.062) 4.677 1.577 ( 0.650 2.987 0.937) 3.197 1.612 ( 0.071 -0.287 0.147) 0.330 1.637 ( 1.121 2.095 -0.555) 2.440 1.645 ( -1.154 1.946 2.519) 3.386 1.683 ( -0.392 0.732 0.381) 0.914 1.718 ( -1.865 3.029 -1.918) 4.041 1.731 ( 0.446 -0.748 -0.219) 0.898 1.787 ( 1.036 -1.908 0.954) 2.372 1.806 ( 0.348 3.358 -0.076) 3.377 1.824 ( 1.424 -1.401 0.299) 2.020 1.830 ( 1.408 -2.762 0.004) 3.100 1.888 ( 1.103 -1.227 1.653) 2.336 1.924 ( 1.091 1.513 -0.098) 1.868 1.933 ( -1.031 -0.863 -0.866) 1.600 1.964 ( 2.407 -1.285 0.821) 2.850 2.012 ( 0.685 -0.819 0.534) 1.194 2.054 ( 3.362 1.643 -0.536) 3.780 2.064 ( 2.022 -1.893 -1.015) 2.950 2.086 ( 2.144 2.444 -1.503) 3.581 2.173 ( 3.790 -1.564 -1.377) 4.326 2.193 ( 2.742 -0.190 0.320) 2.767 2.215 ( 1.231 -0.662 -0.378) 1.448 2.274 ( 4.377 1.529 -1.684) 4.933 2.320 ( -7.130 -0.876 -0.451) 7.198 2.404 ( -1.492 0.276 -0.887) 1.757 2.427 ( 1.543 -3.031 -1.519) 3.725 2.496 ( -4.611 3.045 1.481) 5.721 2.533 ( -2.515 0.320 1.270) 2.836 2.560 ( -0.087 -1.902 0.707) 2.031 2.613 ( -2.664 -2.943 0.372) 3.987 2.658 ( 0.988 0.481 0.776) 1.345 2.664 ( -0.309 -1.295 0.660) 1.486 2.819 ( -2.542 2.275 0.941) 3.539 2.870 ( 0.043 -1.586 -0.742) 1.752 2.888 ( -0.891 0.034 -0.619) 1.086 2.901 ( -3.051 -0.559 0.411) 3.129 3.121 ( 1.813 0.972 0.003) 2.057 3.152 ( 1.628 -2.158 -0.308) 2.721 3.163 ( 2.256 2.174 -0.008) 3.133 3.212 ( -0.243 -2.379 0.154) 2.396 3.320 ( -0.741 1.735 0.096) 1.889 3.349 ( -0.968 0.834 0.444) 1.353 3.355 ( -1.506 -1.090 -0.561) 1.942 3.370 ( -2.010 -0.693 0.095) 2.128 3.568 ( -0.082 0.162 -0.134) 0.226 3.586 ( 0.384 -1.389 0.287) 1.469 3.616 ( -0.201 -0.023 -0.387) 0.437 3.630 ( 0.222 -1.270 0.104) 1.293 3.783 ( 1.324 1.263 -0.106) 1.833 3.788 ( 0.711 0.733 0.002) 1.022 3.805 ( 0.144 1.310 0.003) 1.318 3.813 ( 1.835 0.637 0.071) 1.943 3.833 ( 0.005 1.390 -0.011) 1.390 3.844 ( -0.460 1.776 0.025) 1.835 3.851 ( -1.156 -0.520 0.139) 1.275 3.868 ( -1.538 -0.456 -0.001) 1.604 4.114 ( 5.804 2.447 0.123) 6.300 4.144 ( 6.061 2.460 0.059) 6.541 4.170 ( 4.784 -2.282 -0.057) 5.300 4.199 ( 5.422 -1.965 -0.095) 5.768 4.279 ( -3.415 2.688 -0.204) 4.351 4.293 ( -2.392 2.656 0.268) 3.585 4.319 ( -3.045 -0.671 -0.249) 3.128 4.333 ( -3.387 -0.614 0.215) 3.449 4.807 ( 1.259 2.181 0.153) 2.523 4.827 ( 0.937 2.259 -0.241) 2.458 4.881 ( -2.716 -2.742 0.193) 3.865 4.899 ( -4.275 -2.527 -0.052) 4.967 5.423 ( 0.173 -1.012 0.079) 1.029 5.435 ( -0.990 -2.021 0.146) 2.256 5.438 ( -0.165 -0.978 -0.170) 1.006 5.445 ( -0.738 -1.584 -0.111) 1.751 5.824 ( 1.038 2.410 -0.109) 2.626 5.843 ( 1.325 1.410 0.371) 1.970 5.871 ( -1.182 -1.037 -0.209) 1.586 5.875 ( -0.972 -0.676 0.039) 1.184 6.155 ( 1.344 1.263 -0.101) 1.847 6.173 ( 1.571 1.222 0.210) 2.001 6.182 ( 1.018 -1.266 -0.172) 1.634 6.199 ( 0.443 -1.179 0.031) 1.260 6.669 ( -0.372 0.203 -0.017) 0.424 6.680 ( -0.533 -0.849 0.060) 1.004 6.699 ( -0.192 -0.580 -0.089) 0.617 6.699 ( -0.317 -0.590 0.031) 0.670 14.724 ( -0.846 0.645 -0.168) 1.077 14.739 ( -0.369 -0.611 0.233) 0.751 14.767 ( -0.791 0.080 -0.193) 0.818 14.778 ( -0.528 -0.852 0.118) 1.009 15.136 ( 0.342 2.010 -0.020) 2.039 15.169 ( 0.441 -1.332 0.014) 1.403 15.195 ( 0.726 2.698 0.099) 2.796 15.235 ( 0.870 -1.294 -0.121) 1.564 15.416 ( -0.076 2.045 -0.080) 2.048 15.445 ( -0.084 1.947 0.814) 2.112 15.456 ( -0.002 -1.161 -1.020) 1.546 15.499 ( 0.442 -2.878 0.158) 2.916 15.631 ( 0.031 4.564 -0.004) 4.564 15.648 ( -0.046 4.158 0.042) 4.158 15.728 ( 0.083 -4.961 -0.040) 4.962 15.738 ( 0.155 -4.888 0.095) 4.891 16.120 ( 0.094 -0.330 0.029) 0.345 16.124 ( -0.237 -0.806 -0.503) 0.980 16.151 ( 0.095 -0.415 -0.052) 0.429 16.159 ( -0.466 -1.223 0.439) 1.380 17.583 ( -0.174 0.953 0.035) 0.969 17.602 ( -0.541 -0.592 0.375) 0.885 17.608 ( -0.668 0.258 -0.400) 0.821 17.627 ( -0.839 -1.269 -0.058) 1.522 17.966 ( 2.249 3.365 -0.427) 4.070 17.998 ( 1.411 0.516 0.206) 1.517 18.011 ( 1.549 0.729 0.009) 1.712 18.028 ( 2.346 -0.996 -0.360) 2.574 18.113 ( -1.140 2.365 -0.057) 2.626 18.160 ( -3.037 -1.904 0.729) 3.658 18.233 ( -0.428 2.353 0.568) 2.459 18.254 ( -1.897 0.342 -1.014) 2.179 18.542 ( 0.269 2.310 -0.518) 2.382 18.558 ( 0.302 -0.106 0.798) 0.860 18.577 ( 1.253 -1.253 0.058) 1.773 18.598 ( -0.040 -2.362 0.632) 2.445 18.677 ( 2.827 1.758 -0.268) 3.339 18.701 ( 1.451 -0.776 -0.741) 1.805 18.867 ( -2.701 1.199 -0.054) 2.956 18.885 ( -3.433 -0.609 0.577) 3.534 ======================= Grid point 35 (13/44) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 1.366 0.000 10.650) 10.737 0.214 ( -0.589 0.000 11.635) 11.650 0.464 ( 0.051 0.000 20.010) 20.010 0.563 ( -0.833 0.000 -9.220) 9.258 0.635 ( -0.509 0.000 -3.294) 3.333 0.852 ( -1.392 0.000 2.974) 3.283 0.901 ( -0.398 0.000 1.163) 1.229 1.070 ( -0.968 0.000 3.077) 3.225 1.115 ( -1.539 0.000 1.848) 2.405 1.118 ( -2.052 0.000 -2.151) 2.973 1.164 ( 6.608 0.000 -0.210) 6.612 1.197 ( -2.103 0.000 0.355) 2.133 1.234 ( 3.455 0.000 -0.994) 3.595 1.236 ( -0.539 0.000 -1.230) 1.343 1.295 ( -0.676 0.000 -2.375) 2.469 1.344 ( 1.000 0.000 0.552) 1.143 1.353 ( 1.239 0.000 0.424) 1.309 1.374 ( 0.388 0.000 -4.092) 4.111 1.445 ( 2.465 0.000 4.159) 4.835 1.484 ( -4.391 0.000 -2.034) 4.840 1.540 ( 1.925 0.000 -2.506) 3.160 1.567 ( 1.148 0.000 -2.426) 2.684 1.574 ( 1.402 0.000 -0.483) 1.483 1.582 ( -1.695 0.000 3.035) 3.476 1.611 ( 1.045 0.000 -3.938) 4.075 1.719 ( 0.246 0.000 -2.951) 2.962 1.790 ( -2.027 0.000 1.653) 2.616 1.799 ( 0.587 0.000 1.999) 2.083 1.830 ( -0.799 0.000 0.174) 0.817 1.863 ( -0.317 0.000 -1.522) 1.554 1.870 ( -0.337 0.000 -2.132) 2.158 1.903 ( -7.873 0.000 -2.911) 8.394 1.949 ( 2.136 0.000 2.206) 3.071 1.977 ( 0.844 0.000 1.415) 1.647 2.023 ( -1.847 0.000 0.109) 1.850 2.112 ( 2.431 0.000 -1.700) 2.967 2.153 ( 0.115 0.000 1.358) 1.363 2.160 ( -1.230 0.000 0.997) 1.583 2.217 ( 0.201 0.000 -3.616) 3.621 2.262 ( -0.855 0.000 -1.419) 1.657 2.269 ( -3.042 0.000 3.586) 4.702 2.337 ( -4.602 0.000 -1.582) 4.866 2.432 ( 0.982 0.000 3.379) 3.519 2.433 ( 3.879 0.000 1.587) 4.191 2.477 ( 10.312 0.000 0.126) 10.313 2.486 ( 0.134 0.000 -1.065) 1.074 2.601 ( -1.551 0.000 1.428) 2.109 2.626 ( -5.523 0.000 -1.476) 5.716 2.645 ( 1.059 0.000 3.222) 3.391 2.661 ( -0.664 0.000 0.768) 1.016 2.686 ( 5.704 0.000 0.043) 5.705 2.732 ( 3.184 0.000 0.499) 3.223 2.850 ( 1.148 0.000 0.922) 1.472 2.921 ( 1.966 0.000 0.580) 2.050 2.931 ( -2.978 0.000 -1.584) 3.373 2.977 ( -11.415 0.000 -2.650) 11.719 3.057 ( 5.265 0.000 0.269) 5.271 3.070 ( -1.131 0.000 0.063) 1.133 3.130 ( 2.674 0.000 1.411) 3.024 3.162 ( -1.435 0.000 -0.252) 1.457 3.266 ( -4.329 0.000 -1.401) 4.550 3.278 ( 4.328 0.000 -1.773) 4.677 3.323 ( 4.587 0.000 1.150) 4.729 3.333 ( -4.964 0.000 0.724) 5.017 3.545 ( -0.062 0.000 -0.126) 0.140 3.545 ( -0.120 0.000 -0.207) 0.239 3.656 ( -0.174 0.000 1.029) 1.044 3.686 ( 0.082 0.000 -0.163) 0.183 3.701 ( 0.305 0.000 0.169) 0.348 3.706 ( -0.124 0.000 -0.117) 0.171 3.734 ( -0.020 0.000 -0.295) 0.296 3.747 ( 0.304 0.000 -1.529) 1.559 3.803 ( -0.787 0.000 1.017) 1.286 3.832 ( 0.592 0.000 -1.072) 1.225 3.879 ( 0.788 0.000 0.982) 1.259 3.892 ( -0.259 0.000 0.033) 0.262 4.079 ( 1.588 0.000 -0.394) 1.636 4.082 ( -2.070 0.000 -0.624) 2.162 4.124 ( 2.603 0.000 0.491) 2.648 4.131 ( -1.178 0.000 -0.133) 1.186 4.179 ( 4.823 0.000 0.440) 4.843 4.191 ( -5.665 0.000 -0.457) 5.684 4.192 ( -4.582 0.000 0.583) 4.618 4.208 ( 4.089 0.000 0.055) 4.089 4.734 ( 0.227 0.000 0.372) 0.436 4.751 ( -0.289 0.000 -0.353) 0.456 5.221 ( 0.438 0.000 0.028) 0.439 5.222 ( -0.941 0.000 -0.017) 0.941 5.425 ( 0.985 0.000 0.276) 1.023 5.442 ( -0.958 0.000 -0.540) 1.099 5.487 ( 0.227 0.000 0.178) 0.289 5.489 ( -0.025 0.000 0.117) 0.120 5.600 ( 0.066 0.000 0.986) 0.988 5.646 ( 0.566 0.000 -1.054) 1.196 5.942 ( -0.216 0.000 -0.046) 0.221 5.943 ( 0.265 0.000 -0.098) 0.283 6.168 ( -1.132 0.000 0.258) 1.161 6.187 ( 0.815 0.000 -0.714) 1.083 6.224 ( -1.498 0.000 0.635) 1.627 6.238 ( 0.675 0.000 -0.141) 0.690 6.687 ( 1.000 0.000 0.025) 1.000 6.688 ( -0.182 0.000 0.008) 0.182 6.703 ( -0.096 0.000 0.161) 0.188 6.712 ( 0.134 0.000 -0.227) 0.264 14.717 ( -0.274 0.000 0.041) 0.277 14.720 ( 0.255 0.000 -0.094) 0.272 14.861 ( 0.556 0.000 0.431) 0.704 14.882 ( -0.470 0.000 -0.467) 0.662 15.052 ( -0.714 0.000 -0.089) 0.719 15.056 ( 0.980 0.000 -0.401) 1.058 15.119 ( -0.628 0.000 0.796) 1.014 15.140 ( 0.470 0.000 -0.217) 0.518 15.427 ( -1.019 0.000 -0.012) 1.019 15.431 ( 0.655 0.000 -0.213) 0.688 15.491 ( -0.209 0.000 0.311) 0.375 15.505 ( 1.018 0.000 -0.301) 1.061 15.539 ( 0.499 0.000 0.448) 0.671 15.556 ( -0.639 0.000 -0.287) 0.701 15.860 ( 0.300 0.000 0.897) 0.946 15.899 ( -0.279 0.000 -0.793) 0.840 16.157 ( -1.495 0.000 0.494) 1.575 16.181 ( 0.075 0.000 -0.543) 0.548 16.272 ( -0.265 0.000 1.501) 1.524 16.344 ( 0.174 0.000 -1.648) 1.657 17.504 ( -0.023 0.000 0.157) 0.158 17.505 ( -0.042 0.000 0.116) 0.124 17.701 ( -0.849 0.000 0.545) 1.008 17.721 ( 0.114 0.000 -0.335) 0.354 17.815 ( 0.261 0.000 0.479) 0.545 17.842 ( -0.066 0.000 -0.659) 0.662 17.949 ( 0.779 0.000 -0.020) 0.779 17.959 ( -0.888 0.000 -0.969) 1.314 18.020 ( -0.042 0.000 1.611) 1.612 18.036 ( 0.433 0.000 0.365) 0.566 18.154 ( 0.553 0.000 0.581) 0.802 18.193 ( 2.052 0.000 -1.061) 2.311 18.498 ( -1.891 0.000 -0.619) 1.990 18.507 ( 1.575 0.000 -1.202) 1.981 18.556 ( -2.324 0.000 0.696) 2.426 18.556 ( 2.373 0.000 0.417) 2.409 18.650 ( 0.255 0.000 0.979) 1.012 18.696 ( -0.209 0.000 -1.027) 1.048 19.040 ( 0.276 0.000 2.201) 2.218 19.138 ( -0.336 0.000 -2.083) 2.109 ======================= Grid point 36 (14/44) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 9.490 0.000 7.302) 11.974 0.442 ( 11.124 0.000 9.641) 14.720 0.601 ( 6.396 0.000 -7.091) 9.550 0.619 ( 9.910 0.000 -8.589) 13.114 0.773 ( 11.741 0.000 14.451) 18.619 0.860 ( -0.960 0.000 1.340) 1.649 0.884 ( -3.748 0.000 -0.457) 3.775 1.055 ( -1.806 0.000 1.426) 2.301 1.102 ( 1.874 0.000 -3.327) 3.819 1.103 ( 0.149 0.000 4.217) 4.220 1.158 ( -0.229 0.000 -4.564) 4.570 1.182 ( -2.693 0.000 3.123) 4.124 1.281 ( 2.242 0.000 0.391) 2.275 1.282 ( 0.218 0.000 -0.060) 0.226 1.301 ( 2.258 0.000 1.916) 2.962 1.371 ( 3.060 0.000 -5.731) 6.497 1.381 ( 1.576 0.000 0.553) 1.670 1.383 ( 3.444 0.000 -1.945) 3.955 1.446 ( 0.801 0.000 3.195) 3.293 1.477 ( -1.759 0.000 -2.159) 2.784 1.513 ( -1.077 0.000 -0.585) 1.226 1.530 ( -1.344 0.000 -7.693) 7.809 1.564 ( -0.910 0.000 1.246) 1.543 1.596 ( 0.032 0.000 -3.111) 3.111 1.634 ( 2.196 0.000 1.891) 2.898 1.672 ( -3.342 0.000 -0.430) 3.370 1.782 ( -2.670 0.000 1.849) 3.248 1.782 ( -3.281 0.000 1.047) 3.445 1.801 ( -0.545 0.000 2.017) 2.090 1.840 ( 1.726 0.000 -0.926) 1.959 1.859 ( 0.591 0.000 -0.941) 1.112 1.884 ( 1.859 0.000 -0.853) 2.046 1.971 ( -0.212 0.000 -1.105) 1.125 1.979 ( 0.674 0.000 -0.819) 1.061 1.987 ( -1.858 0.000 0.126) 1.863 2.078 ( -1.261 0.000 -2.417) 2.726 2.168 ( 0.620 0.000 1.268) 1.411 2.178 ( 1.214 0.000 1.566) 1.982 2.190 ( -9.384 0.000 -0.163) 9.385 2.228 ( -3.228 0.000 3.622) 4.852 2.237 ( -2.442 0.000 -1.201) 2.721 2.254 ( 2.061 0.000 -0.861) 2.234 2.357 ( -4.231 0.000 0.856) 4.316 2.437 ( -3.109 0.000 -1.762) 3.574 2.509 ( -0.690 0.000 0.794) 1.052 2.518 ( -2.260 0.000 0.894) 2.430 2.557 ( -1.368 0.000 0.549) 1.474 2.601 ( 3.460 0.000 0.402) 3.484 2.616 ( -2.660 0.000 0.821) 2.784 2.686 ( -4.198 0.000 -1.012) 4.318 2.732 ( 2.960 0.000 0.352) 2.981 2.743 ( -1.576 0.000 1.414) 2.117 2.807 ( -6.254 0.000 3.933) 7.388 2.841 ( -0.476 0.000 0.101) 0.487 2.951 ( -1.719 0.000 -0.265) 1.740 2.980 ( 3.162 0.000 -1.299) 3.418 3.076 ( 1.340 0.000 1.097) 1.732 3.087 ( 0.864 0.000 -1.992) 2.171 3.166 ( 0.722 0.000 -0.045) 0.723 3.226 ( -1.445 0.000 -0.519) 1.535 3.226 ( 2.108 0.000 -0.954) 2.314 3.235 ( 2.674 0.000 -0.967) 2.844 3.337 ( 2.241 0.000 -0.657) 2.336 3.385 ( 1.193 0.000 0.626) 1.347 3.585 ( 3.601 0.000 -0.106) 3.602 3.586 ( 3.762 0.000 -0.075) 3.762 3.672 ( 0.955 0.000 0.476) 1.067 3.687 ( 0.001 0.000 0.208) 0.208 3.706 ( 0.274 0.000 -0.214) 0.348 3.720 ( 1.158 0.000 0.085) 1.161 3.737 ( 0.625 0.000 -0.113) 0.635 3.745 ( 0.571 0.000 -1.466) 1.573 3.796 ( -0.405 0.000 0.817) 0.912 3.842 ( 0.763 0.000 0.205) 0.790 3.857 ( -1.600 0.000 1.618) 2.276 3.876 ( -0.687 0.000 -0.537) 0.872 4.016 ( -5.308 0.000 -0.227) 5.313 4.027 ( -5.507 0.000 0.108) 5.508 4.068 ( -4.426 0.000 -0.807) 4.499 4.106 ( -3.693 0.000 0.162) 3.697 4.170 ( 4.159 0.000 0.436) 4.182 4.201 ( 4.348 0.000 -0.079) 4.349 4.296 ( 4.821 0.000 0.187) 4.824 4.312 ( 4.706 0.000 -0.139) 4.708 4.750 ( 0.886 0.000 -0.455) 0.996 4.750 ( 1.420 0.000 0.535) 1.518 5.120 ( -7.548 0.000 -0.395) 7.558 5.123 ( -7.985 0.000 0.126) 7.986 5.495 ( 1.759 0.000 -0.291) 1.783 5.505 ( 1.789 0.000 -0.039) 1.789 5.541 ( 7.227 0.000 -0.080) 7.227 5.552 ( 7.648 0.000 0.271) 7.652 5.603 ( -0.121 0.000 0.701) 0.712 5.629 ( -0.135 0.000 -0.622) 0.637 5.930 ( -1.427 0.000 -0.089) 1.430 5.942 ( -1.047 0.000 0.181) 1.063 6.132 ( -1.570 0.000 -0.211) 1.585 6.183 ( -1.418 0.000 0.222) 1.436 6.226 ( 1.392 0.000 -0.605) 1.517 6.248 ( -0.206 0.000 0.419) 0.467 6.686 ( -0.022 0.000 0.166) 0.167 6.714 ( 0.414 0.000 -0.137) 0.436 6.716 ( 1.173 0.000 0.341) 1.221 6.745 ( 2.605 0.000 -2.765) 3.799 14.714 ( 0.053 0.000 -0.056) 0.077 14.729 ( 0.643 0.000 0.034) 0.644 14.844 ( -2.522 0.000 -0.660) 2.607 14.851 ( -1.815 0.000 0.572) 1.903 15.034 ( -0.192 0.000 -0.071) 0.205 15.059 ( 0.105 0.000 -0.179) 0.207 15.158 ( 2.994 0.000 0.644) 3.062 15.189 ( 3.694 0.000 -0.315) 3.708 15.386 ( -2.438 0.000 -0.696) 2.535 15.396 ( -2.749 0.000 0.519) 2.798 15.473 ( -2.837 0.000 0.752) 2.935 15.493 ( -0.306 0.000 -0.534) 0.615 15.575 ( 2.164 0.000 0.533) 2.228 15.585 ( 2.419 0.000 -0.750) 2.532 15.892 ( 1.991 0.000 0.852) 2.165 15.892 ( 0.012 0.000 -0.503) 0.503 16.150 ( 0.580 0.000 0.972) 1.132 16.174 ( -0.254 0.000 -0.474) 0.538 16.254 ( -1.879 0.000 1.145) 2.200 16.303 ( -2.957 0.000 -1.750) 3.436 17.516 ( 0.937 0.000 0.205) 0.959 17.520 ( 1.275 0.000 0.135) 1.282 17.718 ( -0.624 0.000 -0.224) 0.663 17.728 ( 0.452 0.000 0.158) 0.479 17.832 ( -0.249 0.000 -0.780) 0.819 17.836 ( 2.049 0.000 -0.338) 2.077 17.948 ( 0.159 0.000 -0.292) 0.332 17.992 ( 2.735 0.000 -1.477) 3.109 18.032 ( 0.685 0.000 0.801) 1.054 18.060 ( 1.783 0.000 0.556) 1.868 18.151 ( -1.453 0.000 0.678) 1.604 18.192 ( -0.579 0.000 -4.059) 4.100 18.484 ( 1.062 0.000 -0.444) 1.151 18.500 ( -1.003 0.000 -0.346) 1.061 18.564 ( 1.954 0.000 -0.763) 2.098 18.601 ( 0.839 0.000 0.513) 0.983 18.669 ( 0.816 0.000 1.108) 1.376 18.703 ( 2.282 0.000 -0.998) 2.491 18.944 ( -12.071 0.000 6.894) 13.901 19.002 ( -5.051 0.000 0.903) 5.131 ======================= Grid point 37 (15/44) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 8.423 0.000 3.213) 9.015 0.617 ( -3.682 0.000 2.166) 4.271 0.694 ( 7.618 0.000 5.972) 9.680 0.767 ( 8.424 0.000 -5.930) 10.302 0.789 ( -6.268 0.000 2.112) 6.614 0.815 ( 2.646 0.000 -3.206) 4.157 1.028 ( 3.764 0.000 3.981) 5.479 1.045 ( 0.591 0.000 0.288) 0.658 1.067 ( -4.193 0.000 -4.152) 5.901 1.091 ( -1.525 0.000 1.226) 1.957 1.187 ( -1.516 0.000 2.616) 3.023 1.246 ( 6.384 0.000 3.169) 7.127 1.270 ( 1.706 0.000 0.055) 1.707 1.291 ( 1.022 0.000 -3.076) 3.242 1.328 ( -3.882 0.000 -4.188) 5.710 1.369 ( -1.266 0.000 -4.295) 4.478 1.401 ( 0.909 0.000 -0.078) 0.912 1.425 ( 2.245 0.000 1.249) 2.569 1.470 ( 2.383 0.000 -1.354) 2.741 1.478 ( 1.998 0.000 -0.389) 2.036 1.524 ( -0.434 0.000 1.698) 1.752 1.533 ( 5.429 0.000 -3.672) 6.554 1.555 ( 0.091 0.000 4.610) 4.611 1.570 ( -2.502 0.000 -2.048) 3.233 1.621 ( -4.314 0.000 -2.725) 5.103 1.625 ( 1.048 0.000 0.300) 1.090 1.751 ( -2.177 0.000 4.957) 5.414 1.753 ( 0.558 0.000 3.534) 3.578 1.783 ( -2.239 0.000 1.485) 2.687 1.828 ( -1.355 0.000 -2.786) 3.098 1.876 ( -0.741 0.000 0.878) 1.149 1.883 ( 0.810 0.000 -1.280) 1.515 1.975 ( 2.642 0.000 0.195) 2.650 1.987 ( 1.306 0.000 -1.093) 1.703 1.999 ( 1.090 0.000 -0.393) 1.158 2.042 ( -2.549 0.000 -1.397) 2.907 2.058 ( 0.315 0.000 -1.260) 1.298 2.168 ( -2.929 0.000 0.018) 2.929 2.182 ( -0.960 0.000 0.218) 0.984 2.222 ( 0.592 0.000 -0.680) 0.902 2.234 ( 3.926 0.000 0.665) 3.982 2.238 ( -1.736 0.000 -2.609) 3.134 2.329 ( -1.214 0.000 3.348) 3.561 2.393 ( -1.932 0.000 -1.655) 2.544 2.442 ( -4.467 0.000 -0.059) 4.468 2.472 ( -7.044 0.000 -1.449) 7.192 2.486 ( 0.184 0.000 5.320) 5.323 2.616 ( 0.263 0.000 -0.787) 0.830 2.636 ( -1.130 0.000 1.162) 1.621 2.639 ( 2.815 0.000 -0.463) 2.853 2.698 ( -3.390 0.000 1.032) 3.543 2.699 ( -4.548 0.000 2.106) 5.011 2.770 ( 1.137 0.000 -0.464) 1.228 2.860 ( 1.124 0.000 -1.925) 2.230 2.917 ( -1.396 0.000 0.792) 1.605 2.972 ( -2.364 0.000 -0.177) 2.371 3.101 ( 1.069 0.000 0.818) 1.346 3.123 ( 4.046 0.000 -1.857) 4.451 3.172 ( -0.285 0.000 0.045) 0.288 3.182 ( -0.591 0.000 -1.140) 1.284 3.289 ( 2.088 0.000 -0.093) 2.090 3.307 ( 1.536 0.000 0.514) 1.620 3.355 ( -0.188 0.000 1.142) 1.158 3.400 ( 1.214 0.000 -0.699) 1.401 3.659 ( 3.515 0.000 0.032) 3.515 3.660 ( 3.122 0.000 0.047) 3.122 3.682 ( -0.598 0.000 0.149) 0.617 3.686 ( 0.344 0.000 -0.242) 0.420 3.710 ( -0.114 0.000 -0.233) 0.259 3.721 ( -1.212 0.000 -0.239) 1.235 3.754 ( 0.803 0.000 0.112) 0.811 3.761 ( 0.985 0.000 -0.145) 0.995 3.799 ( 0.350 0.000 0.042) 0.353 3.830 ( -1.777 0.000 1.128) 2.105 3.863 ( 0.177 0.000 0.149) 0.232 3.887 ( 2.591 0.000 -0.397) 2.621 3.938 ( -3.098 0.000 -0.162) 3.102 3.941 ( -0.701 0.000 0.456) 0.836 3.984 ( -3.495 0.000 -0.969) 3.627 4.013 ( -4.922 0.000 -0.024) 4.922 4.268 ( 4.673 0.000 0.270) 4.681 4.289 ( 4.308 0.000 -0.243) 4.315 4.339 ( -0.838 0.000 0.305) 0.892 4.350 ( -0.823 0.000 -0.298) 0.876 4.801 ( 4.352 0.000 -0.169) 4.356 4.810 ( 4.297 0.000 0.255) 4.305 4.966 ( -7.283 0.000 0.111) 7.284 4.972 ( -6.656 0.000 -0.050) 6.656 5.522 ( 1.140 0.000 0.098) 1.144 5.543 ( 2.040 0.000 -0.056) 2.040 5.578 ( -1.622 0.000 -0.372) 1.664 5.584 ( -0.965 0.000 0.348) 1.026 5.713 ( 8.535 0.000 -0.069) 8.535 5.744 ( 8.211 0.000 -0.013) 8.211 5.867 ( -5.213 0.000 -0.340) 5.225 5.875 ( -5.976 0.000 0.409) 5.990 6.134 ( 1.656 0.000 -0.309) 1.685 6.157 ( -1.226 0.000 0.360) 1.278 6.231 ( -1.712 0.000 0.955) 1.960 6.249 ( 1.318 0.000 -1.059) 1.690 6.690 ( 0.183 0.000 0.431) 0.469 6.720 ( 0.043 0.000 -0.194) 0.199 6.737 ( 0.311 0.000 0.634) 0.706 6.763 ( 1.174 0.000 -1.536) 1.933 14.721 ( 0.552 0.000 0.130) 0.567 14.745 ( 0.770 0.000 -0.170) 0.789 14.796 ( -1.537 0.000 -0.247) 1.557 14.813 ( -1.805 0.000 0.103) 1.808 15.042 ( 0.472 0.000 0.345) 0.584 15.065 ( 0.381 0.000 -0.336) 0.508 15.210 ( 1.471 0.000 0.886) 1.717 15.253 ( 2.383 0.000 -0.648) 2.469 15.346 ( -0.533 0.000 -0.945) 1.085 15.353 ( -1.773 0.000 0.272) 1.794 15.428 ( -2.309 0.000 1.846) 2.956 15.479 ( -0.335 0.000 -0.763) 0.833 15.608 ( 0.792 0.000 0.051) 0.794 15.618 ( 1.180 0.000 -0.641) 1.343 15.897 ( 0.438 0.000 0.428) 0.613 15.925 ( 0.745 0.000 0.009) 0.745 16.178 ( 1.668 0.000 0.136) 1.674 16.180 ( 1.128 0.000 -0.149) 1.138 16.216 ( -2.296 0.000 0.327) 2.319 16.235 ( -2.271 0.000 -1.217) 2.576 17.538 ( 0.958 0.000 0.067) 0.960 17.543 ( 0.678 0.000 0.070) 0.682 17.693 ( -1.336 0.000 1.081) 1.719 17.729 ( -0.302 0.000 -0.048) 0.305 17.831 ( 0.230 0.000 0.027) 0.232 17.866 ( 1.123 0.000 -0.977) 1.489 17.963 ( 0.939 0.000 1.316) 1.617 18.028 ( 1.753 0.000 -0.891) 1.966 18.056 ( 1.272 0.000 0.385) 1.329 18.098 ( 0.577 0.000 -0.123) 0.590 18.109 ( -2.646 0.000 0.226) 2.656 18.158 ( 1.033 0.000 -3.357) 3.512 18.489 ( -0.103 0.000 -0.013) 0.104 18.526 ( 2.828 0.000 -0.235) 2.838 18.586 ( -1.998 0.000 0.235) 2.012 18.586 ( 0.691 0.000 -0.672) 0.964 18.685 ( 0.065 0.000 1.104) 1.106 18.775 ( 4.619 0.000 -0.675) 4.668 18.801 ( -6.950 0.000 5.488) 8.855 18.881 ( -5.846 0.000 -2.012) 6.183 ======================= Grid point 38 (16/44) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -10.925 0.000 3.836) 11.579 0.554 ( -11.596 0.000 1.931) 11.755 0.838 ( 6.285 0.000 3.393) 7.142 0.843 ( 1.815 0.000 -0.979) 2.062 0.891 ( 7.507 0.000 -4.177) 8.591 0.904 ( 0.607 0.000 4.128) 4.172 0.938 ( -0.142 0.000 -1.387) 1.395 0.991 ( -8.470 0.000 -3.242) 9.069 1.001 ( -13.013 0.000 0.357) 13.018 1.075 ( -2.544 0.000 6.115) 6.623 1.153 ( 0.266 0.000 -1.127) 1.158 1.171 ( -1.270 0.000 -1.613) 2.053 1.255 ( -0.501 0.000 1.939) 2.002 1.274 ( -1.398 0.000 -4.235) 4.460 1.311 ( -4.759 0.000 0.110) 4.760 1.318 ( -0.166 0.000 0.009) 0.166 1.405 ( 3.098 0.000 -4.529) 5.487 1.460 ( -3.340 0.000 -0.305) 3.354 1.491 ( -2.567 0.000 1.239) 2.850 1.501 ( 1.458 0.000 1.225) 1.904 1.521 ( 3.463 0.000 -1.876) 3.938 1.528 ( -2.303 0.000 -0.805) 2.439 1.549 ( -0.777 0.000 -0.835) 1.140 1.561 ( 2.487 0.000 -0.791) 2.609 1.638 ( 1.067 0.000 2.758) 2.958 1.705 ( 3.782 0.000 0.441) 3.807 1.760 ( -0.658 0.000 1.645) 1.772 1.769 ( 0.664 0.000 -1.894) 2.007 1.809 ( 0.754 0.000 1.933) 2.075 1.846 ( 3.957 0.000 2.564) 4.715 1.877 ( 3.607 0.000 1.554) 3.928 1.975 ( 8.881 0.000 -0.864) 8.923 1.978 ( -1.936 0.000 -0.571) 2.019 2.000 ( -1.474 0.000 1.004) 1.783 2.004 ( -0.131 0.000 0.769) 0.780 2.046 ( -0.185 0.000 -7.433) 7.435 2.095 ( -1.248 0.000 -5.096) 5.246 2.097 ( 6.308 0.000 0.136) 6.310 2.149 ( -1.933 0.000 2.354) 3.046 2.192 ( 1.830 0.000 0.586) 1.922 2.229 ( -5.560 0.000 0.536) 5.586 2.257 ( 1.010 0.000 3.387) 3.534 2.313 ( -3.842 0.000 -0.440) 3.867 2.376 ( 1.441 0.000 -1.786) 2.295 2.385 ( 2.076 0.000 1.141) 2.369 2.458 ( 4.973 0.000 1.183) 5.111 2.593 ( 2.053 0.000 0.766) 2.191 2.603 ( -0.093 0.000 2.242) 2.244 2.606 ( 0.360 0.000 -1.453) 1.497 2.637 ( -2.950 0.000 -0.581) 3.007 2.668 ( 3.343 0.000 2.335) 4.078 2.712 ( 2.029 0.000 1.790) 2.706 2.768 ( -1.573 0.000 0.188) 1.584 2.826 ( -2.968 0.000 -2.913) 4.158 2.931 ( 2.111 0.000 1.382) 2.524 2.954 ( 1.264 0.000 -0.659) 1.426 3.085 ( -2.741 0.000 -0.378) 2.767 3.164 ( -0.919 0.000 -0.094) 0.924 3.175 ( 0.567 0.000 0.153) 0.588 3.176 ( 1.472 0.000 -1.967) 2.457 3.293 ( -1.969 0.000 -0.266) 1.987 3.313 ( -0.321 0.000 0.703) 0.773 3.359 ( 0.506 0.000 1.257) 1.355 3.403 ( -1.231 0.000 -0.715) 1.423 3.658 ( -2.512 0.000 0.124) 2.515 3.668 ( -3.210 0.000 -0.084) 3.211 3.685 ( -0.963 0.000 -0.014) 0.963 3.686 ( -0.336 0.000 0.288) 0.442 3.702 ( 0.391 0.000 -0.537) 0.664 3.711 ( 1.201 0.000 -0.330) 1.246 3.754 ( -0.670 0.000 0.214) 0.703 3.759 ( -0.774 0.000 -0.251) 0.814 3.817 ( 0.713 0.000 0.806) 1.077 3.817 ( 0.335 0.000 0.226) 0.404 3.858 ( -1.611 0.000 0.418) 1.665 3.893 ( -1.558 0.000 -0.367) 1.600 3.932 ( 1.709 0.000 -0.124) 1.714 3.942 ( 1.787 0.000 0.408) 1.833 3.987 ( 4.259 0.000 -1.251) 4.439 4.005 ( 4.264 0.000 0.205) 4.269 4.273 ( -4.611 0.000 0.486) 4.637 4.285 ( -4.185 0.000 -0.469) 4.212 4.337 ( 0.891 0.000 0.259) 0.928 4.351 ( 0.759 0.000 -0.252) 0.800 4.800 ( -4.782 0.000 -0.157) 4.784 4.809 ( -3.820 0.000 0.241) 3.828 4.969 ( 6.980 0.000 0.159) 6.982 4.974 ( 7.236 0.000 -0.106) 7.237 5.530 ( -0.893 0.000 0.496) 1.021 5.536 ( -1.908 0.000 -0.502) 1.973 5.572 ( 0.079 0.000 -0.181) 0.198 5.584 ( 1.672 0.000 0.215) 1.686 5.728 ( -8.367 0.000 -0.712) 8.397 5.730 ( -8.281 0.000 0.643) 8.306 5.862 ( 5.912 0.000 -0.145) 5.913 5.880 ( 5.296 0.000 0.210) 5.300 6.139 ( -0.370 0.000 -0.476) 0.603 6.156 ( -0.137 0.000 0.538) 0.555 6.216 ( 0.435 0.000 0.335) 0.549 6.265 ( 0.664 0.000 -0.460) 0.807 6.696 ( 0.001 0.000 0.741) 0.741 6.714 ( -0.217 0.000 -0.521) 0.565 6.731 ( -0.964 0.000 0.233) 0.992 6.782 ( 1.364 0.000 -1.237) 1.841 14.728 ( -0.204 0.000 0.495) 0.535 14.736 ( -0.942 0.000 -0.547) 1.090 14.801 ( 0.941 0.000 -0.425) 1.033 14.809 ( 2.274 0.000 0.285) 2.292 15.046 ( -0.230 0.000 0.512) 0.561 15.062 ( -0.461 0.000 -0.501) 0.681 15.212 ( -1.925 0.000 1.056) 2.196 15.246 ( -2.212 0.000 -0.813) 2.356 15.342 ( 1.011 0.000 -0.351) 1.070 15.372 ( 3.026 0.000 -0.861) 3.146 15.416 ( 0.087 0.000 2.284) 2.285 15.481 ( 0.838 0.000 -0.674) 1.075 15.602 ( -1.345 0.000 -0.096) 1.348 15.621 ( -0.531 0.000 -0.476) 0.713 15.909 ( 0.254 0.000 0.860) 0.897 15.915 ( -1.550 0.000 -0.434) 1.609 16.173 ( -1.899 0.000 0.336) 1.928 16.179 ( -0.676 0.000 -0.203) 0.705 16.214 ( 1.864 0.000 -0.486) 1.927 16.249 ( 3.519 0.000 -0.642) 3.577 17.541 ( -0.803 0.000 0.020) 0.803 17.541 ( -0.782 0.000 0.100) 0.789 17.699 ( 1.340 0.000 1.322) 1.882 17.725 ( 0.088 0.000 -0.308) 0.321 17.835 ( 0.132 0.000 0.272) 0.302 17.867 ( -0.336 0.000 -1.131) 1.180 17.990 ( 0.522 0.000 2.218) 2.278 18.044 ( -2.673 0.000 0.329) 2.693 18.047 ( 0.372 0.000 -1.181) 1.238 18.073 ( -1.216 0.000 -0.203) 1.233 18.100 ( 1.737 0.000 -0.222) 1.751 18.198 ( 3.484 0.000 -5.995) 6.934 18.492 ( -0.212 0.000 1.646) 1.659 18.543 ( -2.043 0.000 0.309) 2.067 18.568 ( 1.118 0.000 -0.761) 1.352 18.592 ( 0.539 0.000 -0.010) 0.539 18.694 ( -0.221 0.000 5.132) 5.137 18.719 ( -3.933 0.000 2.331) 4.572 18.755 ( -3.494 0.000 -1.925) 3.989 18.887 ( 5.279 0.000 -0.727) 5.329 ======================= Grid point 39 (17/44) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( -9.508 0.000 8.795) 12.952 0.327 ( -12.766 0.000 5.556) 13.922 0.605 ( -22.460 0.000 10.068) 24.613 0.728 ( -5.130 0.000 -6.187) 8.037 0.747 ( -11.343 0.000 -6.558) 13.102 0.894 ( -3.075 0.000 3.686) 4.800 0.936 ( -0.640 0.000 1.319) 1.466 1.024 ( 7.949 0.000 -3.421) 8.654 1.058 ( -0.187 0.000 4.678) 4.682 1.070 ( 5.937 0.000 1.630) 6.157 1.174 ( -1.638 0.000 1.047) 1.944 1.175 ( -0.672 0.000 1.093) 1.283 1.235 ( 1.335 0.000 -4.455) 4.650 1.243 ( -0.373 0.000 -0.703) 0.796 1.289 ( 1.591 0.000 -0.782) 1.773 1.328 ( 0.446 0.000 1.643) 1.703 1.402 ( -2.121 0.000 -0.584) 2.200 1.402 ( -3.188 0.000 -1.744) 3.634 1.418 ( -2.822 0.000 1.265) 3.092 1.514 ( 0.522 0.000 -0.364) 0.636 1.514 ( 1.229 0.000 -0.049) 1.230 1.550 ( 0.951 0.000 1.077) 1.437 1.571 ( 1.115 0.000 -0.227) 1.138 1.591 ( 2.050 0.000 -5.160) 5.552 1.611 ( -1.416 0.000 -2.018) 2.465 1.726 ( 0.183 0.000 -2.954) 2.960 1.775 ( 1.032 0.000 1.559) 1.870 1.830 ( 0.081 0.000 1.318) 1.321 1.833 ( 1.818 0.000 2.013) 2.712 1.856 ( 2.387 0.000 0.083) 2.388 1.889 ( -4.550 0.000 -2.076) 5.001 1.939 ( -0.771 0.000 -1.524) 1.708 1.968 ( -4.046 0.000 -0.850) 4.135 1.986 ( 1.665 0.000 -3.283) 3.681 2.024 ( 1.085 0.000 2.664) 2.877 2.072 ( 1.854 0.000 -3.256) 3.747 2.131 ( 2.910 0.000 0.774) 3.011 2.149 ( -1.567 0.000 1.784) 2.374 2.228 ( 4.460 0.000 1.048) 4.582 2.233 ( 7.108 0.000 -1.576) 7.281 2.275 ( 7.098 0.000 0.562) 7.120 2.280 ( -1.472 0.000 -0.262) 1.495 2.330 ( 3.745 0.000 5.075) 6.307 2.355 ( -1.214 0.000 -0.923) 1.525 2.438 ( 3.512 0.000 -0.084) 3.513 2.516 ( -5.767 0.000 0.553) 5.793 2.554 ( -0.125 0.000 3.163) 3.166 2.567 ( 2.454 0.000 -0.062) 2.454 2.661 ( 2.357 0.000 -1.458) 2.772 2.673 ( -0.839 0.000 0.754) 1.128 2.713 ( -3.237 0.000 0.654) 3.302 2.739 ( -1.745 0.000 -1.304) 2.178 2.775 ( 3.282 0.000 1.522) 3.617 2.808 ( 7.986 0.000 4.515) 9.174 2.955 ( -1.831 0.000 0.001) 1.831 2.986 ( 0.831 0.000 -0.831) 1.175 3.058 ( 1.149 0.000 0.085) 1.152 3.133 ( -1.708 0.000 -0.888) 1.925 3.196 ( 2.813 0.000 -0.993) 2.983 3.199 ( 1.041 0.000 1.019) 1.456 3.244 ( -1.163 0.000 -0.307) 1.203 3.263 ( -4.709 0.000 -4.014) 6.187 3.353 ( -3.195 0.000 -0.980) 3.342 3.380 ( -0.204 0.000 0.843) 0.868 3.589 ( -3.744 0.000 -0.031) 3.745 3.589 ( -3.793 0.000 -0.173) 3.797 3.672 ( -1.551 0.000 0.717) 1.708 3.682 ( 0.218 0.000 -0.046) 0.223 3.704 ( 0.317 0.000 -0.055) 0.322 3.709 ( -0.728 0.000 -0.317) 0.794 3.739 ( -0.680 0.000 -0.200) 0.709 3.750 ( 0.161 0.000 -1.004) 1.017 3.814 ( -1.081 0.000 1.399) 1.769 3.815 ( -0.394 0.000 1.767) 1.810 3.844 ( 0.419 0.000 -0.143) 0.443 3.885 ( 0.546 0.000 -0.044) 0.548 4.018 ( 5.794 0.000 0.327) 5.803 4.018 ( 5.153 0.000 -0.221) 5.158 4.069 ( 4.100 0.000 -1.144) 4.257 4.096 ( 4.221 0.000 0.669) 4.274 4.186 ( -3.810 0.000 0.857) 3.905 4.197 ( -3.877 0.000 -0.930) 3.987 4.300 ( -4.741 0.000 0.358) 4.754 4.308 ( -4.820 0.000 -0.288) 4.828 4.739 ( -1.254 0.000 0.032) 1.254 4.761 ( -1.039 0.000 0.062) 1.041 5.119 ( 7.654 0.000 -0.102) 7.654 5.136 ( 8.446 0.000 -0.591) 8.466 5.498 ( -1.737 0.000 -0.522) 1.813 5.504 ( -1.453 0.000 0.108) 1.457 5.547 ( -9.025 0.000 -0.637) 9.047 5.553 ( -6.368 0.000 0.393) 6.380 5.596 ( -1.465 0.000 0.493) 1.546 5.615 ( 1.368 0.000 0.457) 1.443 5.933 ( 1.493 0.000 -0.256) 1.515 5.941 ( 0.916 0.000 0.353) 0.982 6.152 ( 2.285 0.000 -1.130) 2.550 6.161 ( 0.640 0.000 1.097) 1.270 6.231 ( 0.597 0.000 -0.458) 0.752 6.262 ( -1.002 0.000 -0.108) 1.008 6.695 ( -0.564 0.000 0.661) 0.869 6.709 ( 0.043 0.000 -0.635) 0.637 6.712 ( -0.838 0.000 -0.005) 0.838 6.774 ( -1.927 0.000 -4.318) 4.728 14.721 ( -0.255 0.000 -0.353) 0.435 14.723 ( -0.414 0.000 0.311) 0.518 14.833 ( 1.992 0.000 -0.204) 2.003 14.860 ( 2.387 0.000 0.127) 2.390 15.047 ( 0.255 0.000 0.452) 0.518 15.048 ( -0.245 0.000 -0.669) 0.712 15.161 ( -3.313 0.000 0.905) 3.435 15.183 ( -3.428 0.000 -0.538) 3.470 15.382 ( 2.928 0.000 -0.368) 2.951 15.420 ( 1.614 0.000 -0.033) 1.614 15.455 ( 2.731 0.000 0.729) 2.827 15.495 ( 0.642 0.000 -0.364) 0.738 15.562 ( -2.449 0.000 0.205) 2.457 15.594 ( -1.933 0.000 -0.340) 1.962 15.875 ( -1.918 0.000 0.137) 1.923 15.911 ( -0.400 0.000 0.088) 0.410 16.156 ( 0.118 0.000 0.931) 0.938 16.177 ( 0.459 0.000 -0.399) 0.608 16.245 ( 1.426 0.000 0.269) 1.451 16.316 ( 3.247 0.000 -1.233) 3.473 17.519 ( -1.196 0.000 0.053) 1.198 17.519 ( -1.273 0.000 0.253) 1.298 17.725 ( -0.141 0.000 -0.171) 0.221 17.746 ( 2.148 0.000 -0.087) 2.149 17.837 ( -2.188 0.000 -1.857) 2.869 17.840 ( 0.352 0.000 -0.226) 0.418 17.991 ( -1.527 0.000 -0.925) 1.786 18.012 ( -0.559 0.000 2.686) 2.744 18.021 ( -2.068 0.000 -4.494) 4.947 18.048 ( -1.899 0.000 -2.058) 2.801 18.132 ( 1.444 0.000 -0.051) 1.444 18.180 ( -0.725 0.000 -4.272) 4.334 18.494 ( 0.123 0.000 -0.262) 0.290 18.522 ( -0.352 0.000 1.099) 1.154 18.552 ( -1.506 0.000 -1.962) 2.474 18.598 ( -1.177 0.000 0.656) 1.348 18.659 ( -2.270 0.000 1.154) 2.546 18.710 ( -0.782 0.000 -0.719) 1.063 18.837 ( 11.127 0.000 15.897) 19.404 18.983 ( 4.255 0.000 0.491) 4.283 ======================= Grid point 40 (18/44) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 0.665 11.490 6.274) 13.108 0.383 ( 0.442 9.940 9.849) 14.000 0.606 ( -0.756 13.916 10.618) 17.520 0.628 ( -2.014 6.314 -8.065) 10.439 0.740 ( 0.737 9.155 -4.304) 10.143 0.909 ( 0.135 5.006 2.578) 5.633 0.950 ( -0.737 4.336 -0.450) 4.421 1.084 ( -0.231 0.786 -0.082) 0.823 1.114 ( -1.944 -1.709 1.726) 3.111 1.125 ( -0.840 1.684 1.181) 2.222 1.183 ( 4.815 1.238 0.978) 5.067 1.197 ( -0.408 1.465 1.281) 1.988 1.244 ( -0.544 3.359 -0.893) 3.518 1.264 ( 0.950 -0.277 -4.301) 4.414 1.298 ( -2.110 0.553 -0.936) 2.374 1.347 ( 2.532 -1.602 -1.810) 3.501 1.367 ( -0.453 -0.192 2.483) 2.531 1.396 ( 2.267 1.758 -1.164) 3.096 1.422 ( 1.745 1.312 1.551) 2.678 1.466 ( -2.084 0.787 0.763) 2.355 1.531 ( -0.284 -1.935 -2.341) 3.050 1.545 ( 1.606 -0.109 0.482) 1.680 1.555 ( -1.308 -1.349 3.409) 3.893 1.608 ( 0.319 0.249 -0.724) 0.830 1.651 ( 1.020 1.764 -4.805) 5.219 1.697 ( -0.819 -1.240 -3.152) 3.484 1.765 ( 0.553 -1.224 -0.498) 1.432 1.778 ( -0.950 -2.293 0.627) 2.560 1.823 ( -1.482 0.171 0.185) 1.504 1.835 ( 0.125 -0.968 -0.559) 1.125 1.882 ( -1.966 -1.318 -1.403) 2.752 1.908 ( 0.834 1.963 -1.274) 2.484 1.934 ( -2.064 -0.325 1.488) 2.565 1.970 ( 1.042 -1.015 1.653) 2.202 1.989 ( 0.338 -2.618 -0.579) 2.702 2.088 ( -0.142 -4.105 -1.263) 4.297 2.106 ( 0.593 -3.210 -0.221) 3.272 2.151 ( -3.244 -3.727 -2.596) 5.582 2.177 ( 1.155 -2.808 -1.336) 3.317 2.235 ( -0.423 -0.282 -2.941) 2.985 2.251 ( -1.568 -2.703 2.135) 3.784 2.322 ( -1.312 -2.513 -1.713) 3.312 2.387 ( -1.782 -2.804 2.649) 4.249 2.421 ( 4.806 -3.430 1.071) 6.001 2.455 ( 4.006 0.112 2.366) 4.654 2.488 ( -0.250 -0.420 0.668) 0.828 2.540 ( -2.528 -4.265 2.425) 5.519 2.607 ( 3.009 -2.324 -0.283) 3.813 2.652 ( 0.972 0.679 1.257) 1.728 2.693 ( -0.422 2.136 -0.636) 2.269 2.715 ( 0.492 2.981 1.386) 3.324 2.773 ( -1.622 3.303 0.770) 3.760 2.799 ( 2.899 -2.838 1.545) 4.341 2.852 ( -1.261 -1.682 -0.493) 2.159 2.960 ( 0.053 1.530 0.198) 1.544 2.989 ( -3.673 -0.911 -0.885) 3.887 3.072 ( 0.423 -0.184 0.857) 0.973 3.091 ( 1.115 -1.450 0.378) 1.868 3.112 ( -3.288 -0.125 1.699) 3.703 3.181 ( 2.415 1.433 -2.463) 3.735 3.300 ( 0.370 2.701 -0.665) 2.806 3.317 ( 0.561 2.866 -1.112) 3.125 3.334 ( -1.395 2.003 1.333) 2.781 3.373 ( 0.430 3.123 -0.339) 3.171 3.540 ( -0.177 0.143 0.290) 0.368 3.556 ( 0.172 0.962 -0.409) 1.060 3.684 ( -0.416 -1.593 0.129) 1.651 3.696 ( -0.046 1.632 0.014) 1.633 3.699 ( 0.492 -0.507 -0.177) 0.728 3.708 ( -0.180 -0.135 -0.436) 0.491 3.727 ( -0.095 1.360 0.556) 1.472 3.755 ( 0.243 1.227 -0.684) 1.425 3.795 ( -0.200 -0.252 0.443) 0.548 3.800 ( 0.272 -1.468 0.590) 1.605 3.876 ( 0.846 1.103 0.924) 1.670 3.909 ( -0.983 1.612 -0.544) 1.965 3.973 ( 0.883 -6.134 0.365) 6.208 3.982 ( -0.802 -6.055 0.351) 6.118 4.078 ( 0.288 -2.626 0.346) 2.664 4.090 ( -0.041 -2.649 -0.220) 2.659 4.256 ( 1.358 5.521 -0.194) 5.689 4.268 ( -1.581 5.357 -0.625) 5.620 4.281 ( -1.250 5.235 0.785) 5.439 4.290 ( 1.378 5.114 0.418) 5.313 4.710 ( 0.160 -2.161 0.299) 2.187 4.729 ( -0.201 -1.841 -0.437) 1.903 5.214 ( -0.125 -1.676 0.279) 1.703 5.224 ( -0.041 -0.597 -0.168) 0.622 5.421 ( 0.599 -0.257 0.348) 0.739 5.442 ( -0.576 -0.017 -0.667) 0.881 5.481 ( 0.146 -0.205 0.447) 0.513 5.492 ( -0.104 0.653 -0.118) 0.671 5.613 ( -0.032 1.600 0.751) 1.768 5.635 ( 0.258 -0.001 0.325) 0.415 5.942 ( 0.046 0.087 -0.050) 0.110 5.944 ( 0.049 0.023 -0.122) 0.134 6.158 ( -1.060 -0.993 0.256) 1.475 6.175 ( 1.359 -1.072 -0.588) 1.828 6.208 ( -0.945 -1.538 0.686) 1.931 6.239 ( 0.311 -1.194 -1.201) 1.722 6.686 ( 0.067 0.033 0.153) 0.171 6.691 ( -0.138 0.261 -0.047) 0.299 6.709 ( 0.275 -0.087 -0.128) 0.316 6.715 ( -0.029 0.319 -0.482) 0.579 14.720 ( -0.186 0.422 -0.013) 0.462 14.725 ( 0.119 0.525 -0.228) 0.584 14.851 ( 0.599 -0.966 0.481) 1.234 14.873 ( -0.511 -0.851 -0.469) 1.098 15.061 ( -0.355 1.012 0.048) 1.074 15.070 ( 0.510 1.357 -0.384) 1.500 15.127 ( -0.335 0.822 0.719) 1.142 15.150 ( 0.213 0.985 -0.388) 1.080 15.432 ( -0.604 0.344 0.092) 0.701 15.442 ( -0.081 0.992 -0.334) 1.050 15.483 ( 0.956 -0.694 0.365) 1.237 15.497 ( 0.211 -0.786 -0.227) 0.845 15.547 ( 0.030 0.981 0.172) 0.997 15.554 ( -0.398 -0.018 -0.115) 0.414 15.842 ( 0.434 -1.828 0.794) 2.040 15.878 ( -0.485 -2.089 -0.775) 2.280 16.133 ( -0.397 -1.255 1.188) 1.773 16.166 ( 0.002 -1.307 -0.579) 1.430 16.245 ( -0.103 -2.130 1.003) 2.356 16.311 ( 0.164 -3.274 -1.787) 3.733 17.524 ( -0.094 1.779 0.481) 1.845 17.576 ( 0.250 3.280 -3.270) 4.638 17.701 ( -0.261 -0.344 0.628) 0.762 17.722 ( -0.610 -0.365 -0.192) 0.737 17.823 ( 0.282 0.859 0.712) 1.151 17.879 ( -1.089 1.806 -2.677) 3.408 17.932 ( 1.227 -0.704 0.184) 1.426 17.948 ( -0.429 -1.204 -0.594) 1.409 18.026 ( -0.223 1.765 0.961) 2.022 18.063 ( 0.792 3.231 -0.994) 3.472 18.205 ( 0.610 4.069 0.867) 4.205 18.248 ( 0.339 4.416 -0.718) 4.487 18.498 ( -1.571 -0.425 -0.325) 1.659 18.504 ( 1.052 -0.098 -0.559) 1.195 18.552 ( 1.987 -0.358 0.366) 2.052 18.561 ( -1.441 0.567 -0.183) 1.559 18.655 ( 0.524 0.110 0.700) 0.882 18.680 ( -0.559 -0.933 0.695) 1.291 19.028 ( 0.097 -1.143 1.829) 2.159 19.068 ( -0.329 -3.677 1.724) 4.075 ======================= Grid point 41 (19/44) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 7.409 6.263 6.751) 11.819 0.533 ( 6.312 6.390 10.719) 13.985 0.592 ( 4.018 2.862 -7.899) 9.313 0.733 ( 6.666 7.367 -5.267) 11.245 0.838 ( 4.424 5.238 3.841) 7.859 0.907 ( 1.680 4.714 0.176) 5.007 0.941 ( -2.097 5.267 1.637) 5.901 1.055 ( -3.477 -0.632 1.690) 3.917 1.082 ( 1.132 0.279 -1.752) 2.105 1.145 ( -1.192 -0.403 4.064) 4.254 1.165 ( -0.273 3.157 1.776) 3.632 1.181 ( 0.459 2.168 -3.984) 4.559 1.270 ( 1.549 0.564 -0.190) 1.660 1.280 ( 1.046 -1.579 0.114) 1.897 1.337 ( 2.577 1.623 -0.536) 3.092 1.358 ( 0.085 0.938 2.358) 2.540 1.386 ( 2.400 -0.196 -0.641) 2.492 1.426 ( 1.164 0.524 -2.334) 2.660 1.458 ( 1.142 1.508 0.072) 1.893 1.485 ( 2.043 -0.022 1.163) 2.351 1.506 ( -0.284 2.484 -1.295) 2.816 1.547 ( 0.344 0.337 -0.486) 0.684 1.590 ( 0.527 -0.063 -2.687) 2.739 1.595 ( 0.879 1.464 0.443) 1.765 1.640 ( 0.535 0.841 -2.772) 2.945 1.657 ( -2.041 -0.414 -1.196) 2.401 1.737 ( -2.202 -4.163 1.224) 4.866 1.770 ( -1.417 -0.634 0.948) 1.819 1.815 ( -1.233 1.119 0.091) 1.668 1.823 ( -1.101 0.229 -1.248) 1.680 1.840 ( 0.598 -0.486 0.450) 0.892 1.900 ( 0.793 0.045 -1.017) 1.290 1.934 ( -0.255 -2.280 -1.319) 2.646 1.970 ( 0.201 -1.966 0.070) 1.978 1.986 ( -0.989 -0.575 1.204) 1.661 2.049 ( -1.143 -2.580 -3.390) 4.411 2.098 ( 0.841 -5.295 0.132) 5.363 2.121 ( -2.850 -3.931 0.316) 4.866 2.175 ( -2.142 -2.281 0.855) 3.244 2.211 ( -1.579 -1.261 0.115) 2.024 2.242 ( 0.629 -0.987 -0.678) 1.353 2.256 ( -2.294 -0.650 1.332) 2.731 2.353 ( -2.110 -1.199 1.290) 2.748 2.438 ( -1.535 0.091 -1.308) 2.018 2.477 ( -3.516 -1.795 -0.526) 3.982 2.519 ( -3.689 -0.281 0.837) 3.793 2.529 ( 4.359 -0.733 1.158) 4.569 2.618 ( -2.210 -0.826 1.261) 2.675 2.632 ( -1.583 -4.664 -0.767) 4.985 2.692 ( -5.813 2.662 0.504) 6.414 2.713 ( -0.749 -1.486 1.227) 2.067 2.732 ( 0.492 -0.845 0.520) 1.107 2.791 ( -2.092 1.530 0.754) 2.699 2.839 ( 1.299 0.747 -0.237) 1.517 2.932 ( -1.313 -1.271 1.049) 2.107 3.007 ( -0.038 1.403 -0.285) 1.433 3.057 ( 1.898 -0.325 -0.233) 1.940 3.073 ( 0.455 -1.521 0.693) 1.732 3.182 ( 4.990 -1.946 0.402) 5.371 3.221 ( -2.911 2.884 -1.067) 4.234 3.244 ( 1.355 0.543 -0.786) 1.658 3.274 ( -0.978 3.515 -0.217) 3.655 3.368 ( 1.490 2.580 -0.106) 2.981 3.414 ( 0.764 1.881 0.097) 2.032 3.566 ( 2.395 -0.445 0.318) 2.456 3.587 ( 2.888 -0.597 -0.361) 2.972 3.683 ( -0.088 -1.125 0.068) 1.130 3.695 ( 0.333 0.593 -0.120) 0.690 3.710 ( 0.342 1.478 0.004) 1.517 3.715 ( 1.080 -1.188 -0.310) 1.635 3.729 ( 0.366 0.495 0.119) 0.627 3.757 ( 0.087 0.770 -0.024) 0.775 3.795 ( 0.230 -0.041 0.051) 0.239 3.805 ( -0.206 -1.983 0.365) 2.027 3.870 ( -0.227 2.074 0.244) 2.100 3.901 ( -0.822 1.265 0.200) 1.522 3.978 ( -0.206 -2.472 -0.091) 2.482 3.997 ( -0.815 -2.184 0.170) 2.337 4.062 ( 0.281 0.620 -0.355) 0.767 4.104 ( 0.665 -1.069 0.346) 1.306 4.235 ( -0.441 5.729 -0.396) 5.760 4.255 ( -0.402 4.550 0.257) 4.575 4.311 ( 2.363 1.258 0.104) 2.679 4.329 ( 1.814 1.111 0.053) 2.128 4.731 ( 1.770 -1.557 0.201) 2.366 4.735 ( 1.676 -1.337 -0.255) 2.159 5.113 ( -7.701 -0.937 -0.143) 7.759 5.125 ( -8.010 -0.275 0.142) 8.016 5.483 ( 2.275 -2.087 0.050) 3.087 5.493 ( 0.813 -0.450 -0.002) 0.929 5.510 ( 5.043 -2.453 -0.328) 5.617 5.531 ( 3.320 -1.157 0.394) 3.538 5.631 ( 2.070 2.301 0.006) 3.095 5.655 ( 3.105 2.533 0.224) 4.013 5.931 ( -1.370 0.048 -0.142) 1.378 5.941 ( -1.193 -0.167 0.129) 1.211 6.126 ( -1.106 -0.528 -0.158) 1.236 6.169 ( -1.218 -1.268 0.152) 1.764 6.214 ( 1.091 -1.059 -0.084) 1.522 6.244 ( 0.003 -0.701 -0.155) 0.718 6.683 ( -0.209 -0.256 0.187) 0.380 6.712 ( 0.632 -0.106 0.011) 0.641 6.716 ( 0.778 -0.208 0.079) 0.809 6.731 ( 1.665 -1.100 -1.406) 2.441 14.716 ( -0.152 0.222 -0.135) 0.300 14.729 ( 0.518 0.175 0.178) 0.575 14.836 ( -2.501 -0.759 -0.682) 2.702 14.845 ( -1.582 -0.761 0.554) 1.840 15.050 ( -0.105 1.548 0.010) 1.552 15.073 ( 0.383 1.452 -0.276) 1.527 15.164 ( 2.620 0.546 0.736) 2.776 15.192 ( 3.427 0.282 -0.522) 3.478 15.394 ( -2.285 0.340 0.243) 2.323 15.405 ( -2.521 1.105 -0.611) 2.820 15.473 ( -2.112 0.053 0.910) 2.300 15.508 ( 0.161 1.435 -0.658) 1.587 15.564 ( 1.801 -1.016 0.454) 2.117 15.579 ( 1.954 -0.484 -0.496) 2.073 15.867 ( 0.390 -2.268 -0.380) 2.333 15.874 ( 1.437 -1.949 0.613) 2.498 16.141 ( 0.702 -0.820 0.596) 1.233 16.162 ( -0.010 -1.134 -0.394) 1.200 16.233 ( -1.610 -2.018 0.805) 2.704 16.278 ( -2.261 -2.388 -1.536) 3.630 17.531 ( 0.608 1.516 0.250) 1.652 17.550 ( -0.239 2.315 -0.598) 2.403 17.700 ( -0.872 -1.381 0.070) 1.635 17.716 ( -0.755 -1.314 0.131) 1.521 17.834 ( 0.365 0.923 0.272) 1.029 17.880 ( 1.998 2.639 -1.076) 3.481 17.949 ( 0.525 -0.081 -0.433) 0.685 17.979 ( 3.056 -0.338 -0.695) 3.152 18.033 ( 0.520 0.557 0.565) 0.949 18.085 ( 1.859 2.852 -0.451) 3.434 18.199 ( -1.914 3.564 0.501) 4.077 18.221 ( -2.039 2.624 -2.008) 3.883 18.483 ( 0.369 -0.219 -0.118) 0.445 18.506 ( 0.429 0.779 -0.620) 1.084 18.575 ( 2.007 0.970 -0.711) 2.340 18.598 ( 1.222 -0.405 0.737) 1.483 18.669 ( 0.635 -0.142 0.616) 0.896 18.693 ( 2.188 -0.941 0.008) 2.381 18.934 ( -9.393 -0.303 3.414) 9.999 19.007 ( -4.775 -0.308 1.280) 4.954 ======================= Grid point 42 (20/44) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 3.949 2.107 0.148) 4.478 0.657 ( 4.592 3.770 2.955) 6.636 0.722 ( 7.567 2.790 4.493) 9.232 0.762 ( 0.981 1.855 0.217) 2.110 0.788 ( -6.648 0.786 0.390) 6.706 0.880 ( 2.887 3.773 -5.949) 7.613 1.017 ( -3.368 -1.814 3.011) 4.869 1.042 ( 3.083 0.577 -0.302) 3.151 1.066 ( -1.125 1.468 0.125) 1.854 1.114 ( -1.269 1.103 -2.070) 2.667 1.170 ( 0.217 -1.095 1.921) 2.222 1.256 ( 2.235 0.646 -0.538) 2.388 1.264 ( -2.456 -0.493 -1.804) 3.087 1.327 ( 4.584 2.526 2.412) 5.763 1.346 ( -0.354 0.521 -2.886) 2.954 1.376 ( 2.309 -0.201 1.906) 3.001 1.386 ( -2.515 0.250 -2.792) 3.766 1.429 ( -0.601 -0.042 -2.216) 2.296 1.497 ( 1.185 0.788 1.096) 1.796 1.503 ( 1.191 0.356 1.092) 1.654 1.527 ( -0.108 3.183 -3.113) 4.453 1.557 ( -0.131 1.693 0.034) 1.699 1.570 ( -0.969 2.063 -0.766) 2.404 1.614 ( -0.012 0.939 -2.176) 2.370 1.619 ( 1.835 2.901 2.933) 4.515 1.650 ( 0.965 1.515 0.079) 1.798 1.727 ( 0.961 -1.184 2.595) 3.010 1.752 ( -0.099 -2.208 2.884) 3.634 1.785 ( -2.232 0.286 0.786) 2.384 1.831 ( 0.161 1.057 0.652) 1.252 1.855 ( -0.645 -0.106 0.278) 0.710 1.884 ( 2.199 0.582 -2.160) 3.137 1.954 ( 1.362 -2.933 -1.231) 3.461 1.982 ( 2.252 0.215 0.133) 2.266 2.000 ( -1.535 -2.426 -1.764) 3.369 2.005 ( 1.793 -0.270 1.169) 2.157 2.057 ( -0.157 -1.445 -2.538) 2.924 2.127 ( -0.047 -3.181 0.500) 3.220 2.150 ( -0.596 -3.212 0.270) 3.278 2.213 ( -1.258 -1.883 -1.295) 2.609 2.219 ( -0.036 -0.222 -0.294) 0.370 2.253 ( 1.334 -0.015 1.017) 1.678 2.311 ( -5.087 0.226 2.949) 5.884 2.357 ( -6.596 -3.033 -2.174) 7.578 2.390 ( -2.177 -1.699 -0.378) 2.788 2.481 ( 2.909 -0.193 3.228) 4.350 2.523 ( -6.952 -0.176 -2.506) 7.392 2.595 ( 1.281 -0.961 0.242) 1.619 2.605 ( -1.190 -0.896 2.631) 3.023 2.646 ( 1.718 -0.255 -0.902) 1.957 2.679 ( -2.339 -0.646 0.973) 2.614 2.718 ( -2.258 -1.205 -0.028) 2.560 2.787 ( -0.820 1.943 0.611) 2.195 2.847 ( -0.264 -1.088 -2.354) 2.607 2.908 ( 1.386 -1.237 0.596) 1.951 2.988 ( -2.650 1.166 1.143) 3.112 3.103 ( 0.236 0.536 1.609) 1.713 3.123 ( 3.719 0.225 -1.017) 3.862 3.173 ( 1.915 0.348 -1.794) 2.647 3.225 ( -2.456 2.332 -0.322) 3.402 3.287 ( 2.496 0.267 -0.089) 2.511 3.296 ( 2.311 -0.638 0.397) 2.430 3.370 ( -1.266 0.951 0.859) 1.802 3.401 ( -0.999 -0.095 -0.493) 1.118 3.618 ( 1.756 -2.093 0.632) 2.804 3.639 ( 2.199 -2.364 -0.651) 3.294 3.679 ( -0.254 -0.128 -0.019) 0.285 3.694 ( -0.172 -0.967 -0.199) 1.003 3.724 ( 1.057 1.706 -0.232) 2.021 3.736 ( 0.458 -0.090 0.315) 0.563 3.743 ( 0.369 -0.227 0.228) 0.490 3.749 ( -0.315 0.811 0.006) 0.870 3.797 ( 0.048 -0.811 -0.183) 0.832 3.813 ( 1.126 -0.193 0.335) 1.190 3.853 ( -2.356 -0.149 -0.348) 2.386 3.876 ( -1.215 -0.641 0.122) 1.380 3.977 ( 0.576 4.539 0.447) 4.597 3.999 ( 2.311 3.909 -0.153) 4.543 4.051 ( -2.084 5.500 -0.133) 5.883 4.078 ( -2.625 5.193 -0.269) 5.825 4.270 ( 3.301 0.360 0.005) 3.321 4.286 ( 3.016 -0.345 0.062) 3.037 4.327 ( -1.174 -0.964 0.089) 1.521 4.337 ( -1.216 -1.298 -0.173) 1.787 4.793 ( 4.640 -0.656 0.008) 4.686 4.804 ( 4.949 -0.607 -0.002) 4.986 4.960 ( -7.143 -0.969 0.041) 7.209 4.964 ( -7.534 -0.471 -0.019) 7.549 5.509 ( 0.718 -1.271 0.120) 1.465 5.522 ( 1.788 -2.120 0.142) 2.777 5.545 ( -0.537 -2.881 -0.340) 2.950 5.557 ( -0.313 -2.486 0.219) 2.516 5.730 ( 7.040 1.610 -0.102) 7.222 5.766 ( 6.771 1.946 0.059) 7.046 5.871 ( -4.971 0.360 -0.369) 4.997 5.878 ( -5.072 0.319 0.333) 5.093 6.135 ( 1.627 0.117 -0.250) 1.650 6.151 ( -0.700 -0.412 0.267) 0.855 6.224 ( -1.056 -0.645 0.633) 1.389 6.237 ( 0.511 -0.988 -0.662) 1.294 6.685 ( 0.148 -0.490 0.400) 0.650 6.713 ( -0.194 -0.601 -0.202) 0.663 6.732 ( 0.281 -0.501 0.399) 0.699 6.747 ( 0.989 -1.420 -1.002) 1.999 14.717 ( 0.362 -0.238 0.101) 0.445 14.747 ( 0.841 0.131 -0.089) 0.856 14.785 ( -1.634 -0.814 -0.201) 1.837 14.811 ( -1.626 -0.342 0.126) 1.666 15.057 ( 0.428 1.534 0.327) 1.626 15.082 ( 0.474 1.741 -0.449) 1.860 15.208 ( 1.086 -0.157 0.969) 1.464 15.250 ( 2.198 -0.319 -0.789) 2.357 15.360 ( -1.092 0.918 -0.079) 1.429 15.362 ( -0.946 1.240 -0.762) 1.736 15.441 ( -1.728 1.408 1.963) 2.971 15.498 ( -0.216 1.896 -0.707) 2.035 15.594 ( 0.719 -1.428 0.049) 1.600 15.606 ( 1.044 -1.043 -0.655) 1.614 15.874 ( 0.532 -2.303 0.285) 2.381 15.902 ( 0.519 -2.380 0.042) 2.436 16.165 ( 1.669 -1.135 -0.313) 2.042 16.170 ( 0.809 -1.022 0.319) 1.342 16.198 ( -1.916 -1.647 0.065) 2.528 16.225 ( -1.921 -1.123 -0.817) 2.371 17.548 ( 0.708 0.906 0.145) 1.159 17.556 ( 0.551 1.219 -0.160) 1.347 17.674 ( -1.491 -1.653 0.984) 2.434 17.701 ( -0.351 -2.402 -0.474) 2.474 17.845 ( 0.338 1.872 0.772) 2.052 17.904 ( 0.744 2.954 -1.474) 3.384 17.965 ( 1.008 0.418 1.252) 1.661 18.027 ( 1.650 -0.046 -0.464) 1.715 18.059 ( 2.296 0.575 0.303) 2.386 18.119 ( 0.264 2.766 0.237) 2.789 18.145 ( -2.857 2.300 -1.203) 3.860 18.173 ( -0.312 1.328 -1.393) 1.950 18.486 ( 0.189 -0.187 -0.233) 0.354 18.548 ( 3.367 1.803 -0.719) 3.886 18.587 ( -0.579 0.542 -0.151) 0.807 18.606 ( -0.110 1.078 -0.320) 1.130 18.684 ( 0.341 -0.147 1.295) 1.347 18.749 ( -0.464 -1.720 2.096) 2.751 18.807 ( -1.786 0.698 1.062) 2.192 18.897 ( -5.929 0.796 -0.803) 6.036 ======================= Grid point 43 (21/44) ======================= q-point: (-0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -9.896 4.447 2.533) 11.141 0.574 ( -11.696 2.376 1.647) 12.048 0.844 ( 8.471 0.180 -0.246) 8.477 0.865 ( 1.643 2.098 -0.911) 2.816 0.876 ( 0.843 -0.006 -0.276) 0.887 0.896 ( -1.066 -0.123 5.731) 5.831 0.945 ( 5.043 2.083 -1.901) 5.778 1.021 ( -3.831 1.790 -2.210) 4.772 1.051 ( -5.717 4.159 -1.289) 7.186 1.123 ( 2.615 1.651 0.707) 3.172 1.135 ( -5.004 0.250 1.767) 5.312 1.209 ( -1.068 1.520 -0.463) 1.915 1.252 ( -1.159 -0.558 -1.371) 1.880 1.300 ( -0.064 0.700 -0.731) 1.014 1.312 ( -1.166 0.815 -1.615) 2.152 1.333 ( -6.343 3.925 -0.418) 7.470 1.387 ( 0.285 -0.253 1.610) 1.654 1.443 ( -0.181 -2.791 -0.772) 2.901 1.484 ( -0.255 0.226 -1.163) 1.212 1.497 ( -0.623 0.764 -3.593) 3.726 1.523 ( 1.241 -1.436 0.003) 1.898 1.553 ( 1.291 0.714 0.818) 1.687 1.572 ( -1.069 3.303 0.173) 3.477 1.629 ( -0.519 4.802 -1.576) 5.080 1.647 ( -0.732 0.963 3.161) 3.385 1.691 ( 1.840 -1.061 1.338) 2.511 1.747 ( 2.089 0.258 0.507) 2.165 1.786 ( 2.026 -1.140 1.736) 2.901 1.790 ( 0.229 -1.557 -0.386) 1.621 1.823 ( -0.366 -2.032 1.215) 2.395 1.867 ( 1.340 0.031 1.282) 1.854 1.941 ( -1.631 -2.598 -1.127) 3.268 1.971 ( -0.140 -2.926 -0.260) 2.941 1.988 ( -2.149 -0.951 -0.491) 2.401 2.003 ( 5.657 1.237 0.640) 5.826 2.058 ( 3.344 1.207 -2.594) 4.401 2.081 ( -1.748 0.261 -4.585) 4.914 2.106 ( 0.397 -0.908 0.890) 1.332 2.149 ( 4.083 -0.048 0.031) 4.083 2.162 ( 1.551 -1.655 -0.909) 2.443 2.198 ( -2.894 -2.545 1.081) 4.003 2.242 ( -0.111 -0.815 3.033) 3.142 2.308 ( 0.938 -1.722 0.027) 1.961 2.355 ( 3.372 -2.747 0.529) 4.382 2.388 ( 1.501 1.529 -0.696) 2.253 2.435 ( 2.568 -1.343 -0.225) 2.907 2.554 ( -1.388 -1.869 -0.342) 2.353 2.585 ( -3.640 -1.196 0.883) 3.932 2.613 ( 2.039 0.037 2.453) 3.190 2.635 ( 2.894 -1.318 0.116) 3.182 2.664 ( -2.152 -0.897 0.274) 2.348 2.714 ( 1.855 -1.501 -0.790) 2.513 2.782 ( 1.476 3.391 0.901) 3.806 2.837 ( 0.831 -0.920 -2.309) 2.620 2.917 ( -2.989 0.434 0.717) 3.105 2.985 ( 3.368 0.140 0.958) 3.505 3.080 ( -2.294 0.733 0.264) 2.422 3.140 ( -3.363 -0.799 0.420) 3.482 3.187 ( 0.891 0.982 -2.236) 2.600 3.218 ( 1.953 1.950 0.163) 2.765 3.283 ( -2.788 -0.498 -0.033) 2.832 3.308 ( -1.419 -0.118 0.263) 1.448 3.371 ( 1.615 0.762 0.886) 1.993 3.402 ( 0.773 -0.366 -0.482) 0.982 3.613 ( -1.982 -2.167 0.454) 2.972 3.642 ( -2.046 -2.208 -0.472) 3.047 3.681 ( 0.553 -0.440 -0.062) 0.710 3.696 ( 0.125 -1.320 -0.165) 1.336 3.722 ( -0.488 1.282 -0.161) 1.381 3.736 ( -0.367 1.394 0.387) 1.493 3.743 ( -1.025 0.611 0.200) 1.210 3.750 ( 0.074 0.092 -0.132) 0.177 3.800 ( -0.331 -1.159 -0.009) 1.206 3.809 ( -0.479 -0.436 0.137) 0.662 3.854 ( 1.097 0.156 -0.204) 1.127 3.870 ( 1.733 -0.859 0.050) 1.935 3.978 ( -0.968 4.028 0.501) 4.173 3.996 ( -2.102 4.748 -0.208) 5.197 4.059 ( 2.584 5.117 -0.028) 5.733 4.070 ( 2.045 5.527 -0.381) 5.905 4.275 ( -3.239 -0.002 -0.015) 3.239 4.283 ( -2.934 0.152 0.081) 2.939 4.326 ( 1.199 -1.092 0.079) 1.624 4.337 ( 1.120 -1.384 -0.166) 1.788 4.797 ( -4.946 -0.366 0.037) 4.960 4.801 ( -4.531 -0.728 -0.038) 4.589 4.960 ( 7.447 -0.893 0.033) 7.500 4.965 ( 7.290 -0.867 -0.011) 7.341 5.514 ( -0.613 -1.601 0.394) 1.759 5.519 ( -1.586 -1.684 -0.182) 2.321 5.543 ( -0.391 -2.453 -0.280) 2.500 5.554 ( 0.624 -2.857 0.221) 2.933 5.740 ( -7.191 1.538 -0.233) 7.357 5.755 ( -6.638 1.857 0.197) 6.896 5.866 ( 5.240 0.385 -0.163) 5.257 5.884 ( 4.736 0.317 0.126) 4.748 6.137 ( -0.452 -0.125 -0.291) 0.552 6.152 ( -0.589 -0.291 0.309) 0.726 6.213 ( 0.419 -0.308 0.234) 0.570 6.248 ( 0.564 -1.365 -0.267) 1.501 6.689 ( -0.089 -0.625 0.611) 0.879 6.708 ( -0.003 -0.579 -0.448) 0.732 6.729 ( -0.701 -0.388 0.107) 0.808 6.761 ( 0.630 -1.850 -0.717) 2.082 14.727 ( 0.120 -0.134 0.586) 0.612 14.732 ( -1.029 -0.229 -0.587) 1.207 14.797 ( 0.670 -0.513 -0.502) 0.982 14.805 ( 2.328 -0.347 0.439) 2.394 15.062 ( -0.259 1.504 0.481) 1.600 15.079 ( -0.470 1.715 -0.600) 1.877 15.208 ( -1.702 -0.349 0.994) 2.002 15.248 ( -1.731 0.040 -0.815) 1.914 15.351 ( 0.752 0.924 -0.245) 1.216 15.378 ( 2.489 0.606 -0.856) 2.701 15.437 ( 0.098 2.045 2.216) 3.017 15.500 ( 0.731 1.930 -0.712) 2.183 15.588 ( -1.257 -1.428 -0.070) 1.904 15.609 ( -0.467 -1.167 -0.523) 1.362 15.886 ( 0.150 -2.281 0.659) 2.379 15.890 ( -1.292 -2.448 -0.345) 2.790 16.155 ( -1.515 -1.275 -0.077) 1.982 16.178 ( -0.751 -0.580 0.302) 0.996 16.202 ( 1.588 -1.185 -0.366) 2.015 16.229 ( 2.956 -1.938 -0.657) 3.595 17.547 ( -0.848 0.804 0.121) 1.175 17.558 ( -0.262 1.270 -0.146) 1.305 17.672 ( 0.834 -1.939 0.812) 2.261 17.707 ( 1.176 -2.117 -0.305) 2.441 17.846 ( -0.832 1.921 0.775) 2.233 17.903 ( 0.286 2.417 -1.232) 2.728 17.986 ( -0.182 0.389 1.655) 1.709 18.038 ( -0.012 -0.364 -0.722) 0.809 18.075 ( -3.225 2.185 0.789) 3.975 18.086 ( -1.568 1.220 -1.073) 2.259 18.122 ( 2.903 1.943 -0.409) 3.517 18.206 ( 2.909 1.326 -2.933) 4.339 18.489 ( -0.254 -0.043 0.991) 1.024 18.554 ( -1.878 0.968 -0.261) 2.129 18.586 ( -0.152 0.543 -2.098) 2.172 18.611 ( 1.235 1.401 -0.414) 1.913 18.678 ( -3.778 -1.461 3.422) 5.303 18.719 ( 0.901 1.299 3.146) 3.521 18.794 ( -2.126 2.502 -0.563) 3.331 18.884 ( 5.257 -0.349 -0.708) 5.316 ======================= Grid point 44 (22/44) ======================= q-point: (-0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -7.320 6.967 4.529) 11.074 0.403 ( -7.484 6.652 8.831) 13.351 0.716 ( -6.401 3.820 -4.786) 8.858 0.776 ( -14.532 11.674 5.571) 19.455 0.858 ( -7.414 7.309 -6.981) 12.535 0.901 ( -1.229 2.312 1.965) 3.273 0.977 ( 0.975 2.911 0.071) 3.071 1.028 ( 7.363 -0.689 0.482) 7.411 1.058 ( 3.680 0.953 -0.874) 3.901 1.094 ( 0.384 2.819 5.250) 5.972 1.155 ( -0.292 0.049 -0.556) 0.630 1.216 ( -0.552 0.494 -0.396) 0.840 1.244 ( -1.968 0.996 -0.277) 2.223 1.259 ( 2.586 2.342 -1.423) 3.768 1.306 ( 1.716 0.803 0.308) 1.919 1.333 ( 0.812 -0.534 1.312) 1.633 1.371 ( -1.789 -0.532 1.528) 2.412 1.409 ( -2.672 -0.171 -3.277) 4.232 1.440 ( -2.660 1.046 -0.700) 2.942 1.484 ( 1.420 -1.542 0.645) 2.193 1.524 ( -2.658 1.057 -0.078) 2.861 1.555 ( -0.224 0.986 -0.103) 1.016 1.571 ( -0.348 -0.662 1.341) 1.535 1.601 ( -0.471 0.832 -0.846) 1.277 1.645 ( 1.236 2.350 -2.325) 3.530 1.709 ( 0.561 -2.690 -1.641) 3.201 1.768 ( -0.256 1.085 -1.805) 2.121 1.805 ( -0.423 -2.758 0.323) 2.809 1.833 ( 1.248 -0.881 0.159) 1.536 1.849 ( 3.251 0.013 1.856) 3.744 1.851 ( -2.272 -0.825 -1.757) 2.989 1.904 ( 1.513 -2.563 0.801) 3.082 1.947 ( -2.557 -2.360 -0.146) 3.483 1.968 ( 0.470 -1.341 -2.384) 2.775 2.006 ( -2.485 0.421 -1.069) 2.738 2.065 ( 1.645 -4.487 0.663) 4.825 2.095 ( 0.032 -2.219 -0.457) 2.265 2.166 ( 2.581 0.051 -0.924) 2.741 2.189 ( 3.092 -2.394 0.471) 3.939 2.206 ( 3.905 -3.271 -2.157) 5.532 2.257 ( 2.757 0.139 -1.528) 3.155 2.294 ( 0.173 -1.952 -0.980) 2.191 2.325 ( 2.988 -0.861 6.163) 6.903 2.380 ( 0.020 1.952 -0.859) 2.132 2.431 ( 0.721 -0.242 -1.346) 1.546 2.505 ( 4.360 -1.596 2.362) 5.209 2.517 ( -2.891 -0.570 1.815) 3.460 2.590 ( 1.648 -0.991 1.429) 2.396 2.614 ( -1.214 -3.154 0.233) 3.388 2.662 ( 2.152 -2.215 -0.327) 3.106 2.696 ( 3.488 -0.946 0.279) 3.624 2.737 ( 0.170 0.541 0.222) 0.608 2.804 ( -1.221 5.011 -0.142) 5.160 2.869 ( 1.413 0.609 0.295) 1.566 2.913 ( 3.843 -0.391 1.375) 4.100 3.002 ( -1.143 -0.813 0.147) 1.411 3.058 ( -1.342 -0.136 -0.170) 1.359 3.100 ( -0.191 -1.818 0.521) 1.901 3.167 ( -1.843 -0.944 0.038) 2.072 3.236 ( -2.086 0.836 -0.519) 2.306 3.259 ( 2.501 2.338 -0.345) 3.441 3.265 ( -0.856 0.979 -0.796) 1.524 3.386 ( -2.056 2.022 -0.411) 2.913 3.403 ( -0.200 1.929 0.396) 1.980 3.569 ( -2.510 -1.210 0.436) 2.820 3.585 ( -2.662 0.091 -0.473) 2.705 3.688 ( 0.010 -0.151 0.148) 0.212 3.693 ( 0.231 -0.623 -0.176) 0.687 3.709 ( -1.400 0.089 -0.258) 1.426 3.721 ( -0.247 -0.461 -0.373) 0.643 3.726 ( -0.651 1.907 0.513) 2.080 3.752 ( 0.168 1.082 -0.022) 1.095 3.797 ( -0.248 -0.977 0.073) 1.010 3.799 ( -0.505 -1.025 0.470) 1.236 3.861 ( 0.010 1.623 0.134) 1.628 3.904 ( 1.033 1.427 0.306) 1.788 3.981 ( 0.035 -1.869 -0.205) 1.881 3.990 ( 1.099 -2.246 0.339) 2.523 4.070 ( -0.713 0.295 -0.610) 0.984 4.093 ( -0.299 -0.714 0.637) 1.003 4.239 ( 0.025 5.008 -0.592) 5.043 4.255 ( 0.764 5.160 0.424) 5.233 4.316 ( -2.054 0.993 0.115) 2.284 4.322 ( -2.223 1.095 0.048) 2.478 4.724 ( -1.979 -1.379 -0.034) 2.413 4.744 ( -1.450 -1.477 -0.046) 2.071 5.116 ( 7.758 -0.768 -0.232) 7.799 5.124 ( 7.997 -0.946 0.178) 8.055 5.488 ( -1.547 -1.507 0.048) 2.161 5.492 ( -1.825 -1.496 0.133) 2.364 5.505 ( -4.376 -1.828 -0.525) 4.771 5.533 ( -3.593 -1.522 0.483) 3.932 5.630 ( -2.355 2.578 -0.322) 3.507 5.645 ( -3.363 2.732 0.724) 4.393 5.932 ( 1.495 -0.055 -0.190) 1.509 5.940 ( 1.008 -0.112 0.183) 1.031 6.143 ( 1.663 -0.786 -0.936) 2.064 6.150 ( 0.553 -1.018 0.914) 1.476 6.220 ( -0.263 -1.047 -0.051) 1.080 6.250 ( -0.314 -1.218 -0.280) 1.289 6.689 ( -0.162 -0.450 0.467) 0.669 6.706 ( -0.112 -0.320 -0.446) 0.560 6.713 ( -0.726 0.040 -0.065) 0.730 6.746 ( -1.819 -1.766 -1.445) 2.918 14.719 ( 0.037 0.189 -0.233) 0.302 14.727 ( -0.261 0.324 0.283) 0.503 14.824 ( 1.870 -0.880 -0.293) 2.088 14.855 ( 2.172 -0.617 0.142) 2.263 15.060 ( -0.008 1.283 0.394) 1.342 15.065 ( -0.247 1.642 -0.638) 1.779 15.164 ( -2.956 0.246 0.750) 3.060 15.192 ( -3.137 0.749 -0.567) 3.275 15.388 ( 2.847 0.542 -0.010) 2.898 15.424 ( 2.175 0.191 -0.687) 2.289 15.464 ( 1.370 1.113 1.259) 2.168 15.505 ( -0.335 0.786 -0.722) 1.119 15.556 ( -1.423 -0.230 0.313) 1.475 15.584 ( -1.672 -0.877 -0.316) 1.914 15.853 ( -1.649 -2.186 -0.000) 2.738 15.890 ( -0.341 -2.112 0.148) 2.144 16.136 ( -0.523 -1.247 0.486) 1.437 16.170 ( -0.126 -0.937 -0.208) 0.968 16.229 ( 1.144 -1.559 0.285) 1.955 16.287 ( 2.950 -2.860 -1.242) 4.292 17.529 ( -0.720 1.371 0.188) 1.559 17.557 ( 0.927 2.351 -0.596) 2.596 17.698 ( 0.978 -1.806 -0.035) 2.054 17.733 ( 1.001 -1.353 0.089) 1.686 17.828 ( -1.010 0.905 0.080) 1.358 17.902 ( 0.124 2.826 -0.716) 2.918 17.969 ( -1.897 -1.742 -0.636) 2.653 17.994 ( -4.248 -1.377 -2.232) 4.993 18.031 ( -1.032 1.990 1.124) 2.508 18.063 ( -0.026 2.543 -1.542) 2.974 18.175 ( 2.271 3.205 -0.172) 3.932 18.230 ( 1.352 4.207 -1.255) 4.593 18.486 ( -0.132 -0.356 0.541) 0.661 18.529 ( -0.176 0.563 0.132) 0.605 18.550 ( -2.153 -0.581 -1.717) 2.814 18.609 ( -1.816 0.525 -0.203) 1.901 18.645 ( -0.724 -0.808 1.832) 2.129 18.700 ( -2.066 -0.001 0.881) 2.246 18.907 ( 9.470 3.304 5.147) 11.274 18.980 ( 4.243 -0.493 0.789) 4.344 ======================= Grid point 45 (23/44) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -0.512 9.251 8.270) 12.419 0.593 ( 1.513 12.726 4.010) 13.428 0.783 ( -1.502 9.141 -6.463) 11.295 0.880 ( -2.553 10.664 -2.101) 11.165 0.913 ( 1.799 7.076 -3.175) 7.961 1.015 ( -0.919 1.701 -4.131) 4.561 1.027 ( -0.246 -0.433 2.055) 2.114 1.056 ( 2.538 4.913 1.789) 5.812 1.140 ( -2.269 3.193 2.604) 4.703 1.186 ( 1.923 4.008 2.126) 4.928 1.196 ( 0.508 0.166 1.223) 1.334 1.235 ( 0.839 -0.047 2.204) 2.359 1.265 ( -1.256 1.975 0.647) 2.428 1.279 ( 0.078 1.444 -1.494) 2.080 1.305 ( 0.748 0.629 -0.574) 1.133 1.363 ( 0.660 2.277 1.740) 2.941 1.380 ( -0.423 -2.424 2.086) 3.226 1.406 ( -0.738 2.342 -1.554) 2.906 1.431 ( 0.662 -0.066 0.068) 0.669 1.484 ( 1.328 -1.477 -0.478) 2.043 1.509 ( -0.563 1.868 0.349) 1.982 1.558 ( -0.874 2.735 -0.963) 3.028 1.573 ( 0.813 2.062 2.112) 3.062 1.618 ( 2.001 0.070 -0.953) 2.217 1.648 ( 0.050 0.419 -0.101) 0.434 1.673 ( -2.173 -1.399 0.030) 2.584 1.740 ( 0.684 -1.002 -0.338) 1.259 1.779 ( 0.668 0.465 -4.118) 4.198 1.811 ( 1.222 -0.312 -1.949) 2.322 1.819 ( -1.216 -1.672 1.134) 2.358 1.865 ( -0.911 -0.560 -0.342) 1.123 1.914 ( 0.414 -3.009 0.416) 3.066 1.922 ( -0.228 -1.699 0.948) 1.959 1.945 ( 0.565 -0.384 0.580) 0.896 1.953 ( -1.393 0.422 -1.175) 1.871 1.986 ( -1.716 -4.578 0.005) 4.889 2.039 ( 2.392 -3.979 -1.297) 4.821 2.068 ( -3.357 -2.830 -5.486) 7.026 2.124 ( -0.833 -2.994 1.675) 3.530 2.193 ( -0.142 -2.812 0.479) 2.856 2.200 ( 0.415 -3.462 -2.244) 4.146 2.249 ( -0.398 -4.339 -2.191) 4.877 2.276 ( 1.628 -8.085 2.681) 8.673 2.354 ( -1.931 -4.241 -1.088) 4.785 2.445 ( 2.216 -0.765 1.968) 3.061 2.481 ( -1.607 0.067 -0.320) 1.640 2.504 ( 1.539 0.407 2.951) 3.352 2.561 ( 0.591 -0.934 -0.229) 1.128 2.645 ( 0.644 -1.941 0.395) 2.083 2.681 ( -1.361 -3.514 -0.802) 3.853 2.723 ( -0.478 -1.485 1.762) 2.353 2.751 ( 4.003 0.060 -0.150) 4.006 2.859 ( -1.137 3.069 1.369) 3.548 2.903 ( -1.645 3.316 -1.231) 3.901 2.960 ( 2.117 0.271 1.317) 2.508 2.974 ( -1.777 -0.609 0.043) 1.879 3.058 ( -1.793 -0.155 0.679) 1.924 3.083 ( 2.435 1.331 -0.223) 2.783 3.123 ( -3.181 0.452 1.344) 3.482 3.182 ( 2.191 -0.849 -0.749) 2.466 3.334 ( -1.226 1.539 0.284) 1.988 3.359 ( 1.508 1.878 -0.676) 2.502 3.409 ( -0.070 3.656 0.646) 3.713 3.432 ( -0.250 2.091 -0.456) 2.155 3.556 ( -0.125 1.286 0.684) 1.462 3.585 ( -0.111 1.533 -0.678) 1.680 3.636 ( 0.235 -2.597 0.336) 2.629 3.659 ( 0.066 -2.522 -0.648) 2.605 3.711 ( -0.341 1.532 0.177) 1.579 3.722 ( 0.370 1.279 -0.307) 1.366 3.763 ( 0.029 0.504 0.064) 0.509 3.767 ( -0.535 -0.244 -0.183) 0.616 3.777 ( 0.070 -0.974 0.361) 1.041 3.789 ( 0.193 -0.546 -0.146) 0.597 3.903 ( 0.516 0.596 0.345) 0.861 3.913 ( 0.592 1.873 0.078) 1.966 3.929 ( -1.182 0.927 0.930) 1.767 3.963 ( 0.132 2.130 -0.569) 2.209 4.028 ( 0.268 -2.544 0.366) 2.584 4.043 ( -0.151 -2.445 -0.265) 2.464 4.336 ( -0.068 2.269 0.108) 2.273 4.346 ( -0.113 2.405 -0.339) 2.431 4.365 ( 0.266 2.570 0.358) 2.608 4.371 ( -0.084 2.142 0.074) 2.145 4.691 ( -0.004 1.759 0.567) 1.848 4.721 ( -0.025 2.510 -0.685) 2.602 5.132 ( -0.037 -6.543 0.751) 6.586 5.165 ( 0.032 -5.635 -0.664) 5.674 5.420 ( 0.276 0.344 0.427) 0.614 5.444 ( -0.313 0.284 -0.724) 0.839 5.483 ( -0.037 -0.020 0.639) 0.641 5.501 ( 0.084 -0.539 -0.170) 0.572 5.672 ( 0.017 4.240 0.543) 4.275 5.683 ( 0.026 5.746 -0.056) 5.746 5.938 ( -0.128 -0.905 0.045) 0.915 5.942 ( 0.181 -0.310 -0.154) 0.390 6.133 ( -0.994 -1.421 0.197) 1.746 6.147 ( 1.759 -1.769 -0.525) 2.549 6.167 ( -1.277 -2.321 0.632) 2.724 6.193 ( 0.474 -3.139 -0.669) 3.244 6.688 ( -0.178 0.172 0.199) 0.318 6.697 ( 0.169 0.256 -0.166) 0.349 6.705 ( 0.030 -0.187 0.199) 0.274 6.717 ( -0.048 -0.135 -0.321) 0.352 14.736 ( -0.250 1.237 -0.039) 1.263 14.741 ( 0.150 1.136 -0.299) 1.184 14.827 ( 0.436 -1.441 0.514) 1.591 14.848 ( -0.342 -1.651 -0.426) 1.739 15.088 ( -0.246 1.666 0.334) 1.717 15.107 ( 0.359 2.368 -0.542) 2.456 15.144 ( 0.041 0.687 0.684) 0.970 15.173 ( -0.158 1.079 -0.616) 1.252 15.435 ( -1.070 -0.073 0.070) 1.075 15.452 ( 1.018 -0.435 -0.807) 1.370 15.471 ( 1.704 -0.474 0.343) 1.802 15.479 ( -1.477 -0.810 0.157) 1.691 15.570 ( -0.016 2.107 0.314) 2.130 15.583 ( -0.173 2.700 -0.274) 2.720 15.791 ( 0.607 -3.270 0.634) 3.386 15.820 ( -0.562 -3.824 -0.626) 3.916 16.116 ( 0.062 -0.552 0.583) 0.805 16.141 ( -0.135 -1.055 -0.590) 1.216 16.198 ( -0.253 -2.466 0.502) 2.529 16.235 ( 0.351 -4.005 -1.059) 4.158 17.563 ( -0.131 2.040 0.687) 2.157 17.618 ( 0.648 1.346 -2.146) 2.614 17.679 ( -0.319 -1.757 0.623) 1.891 17.699 ( -0.400 -1.742 -0.165) 1.794 17.849 ( -0.090 1.793 0.926) 2.020 17.902 ( -0.139 1.046 -1.661) 1.968 17.932 ( -0.132 0.441 0.176) 0.493 17.943 ( -0.001 0.504 -0.051) 0.506 18.088 ( -0.245 4.253 1.031) 4.383 18.147 ( 0.754 4.807 -1.962) 5.246 18.268 ( 0.882 1.570 0.939) 2.031 18.321 ( -0.779 2.158 -1.485) 2.733 18.488 ( -0.345 -0.099 0.549) 0.656 18.508 ( 0.451 0.524 0.269) 0.742 18.548 ( 0.325 0.132 0.345) 0.492 18.573 ( 0.264 0.573 -0.606) 0.875 18.642 ( -0.138 -0.997 1.479) 1.789 18.674 ( -0.596 -0.143 -0.246) 0.661 19.002 ( -0.061 -1.376 1.021) 1.714 19.016 ( 0.078 -1.931 0.726) 2.064 ======================= Grid point 46 (24/44) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 2.547 9.484 5.637) 11.323 0.670 ( 3.561 7.985 8.369) 12.103 0.704 ( -0.862 8.017 -5.903) 9.994 0.876 ( 1.478 6.774 -5.822) 9.053 0.944 ( -1.594 5.176 -0.496) 5.439 0.971 ( 0.093 1.648 -1.300) 2.102 1.015 ( -0.548 -2.214 -0.111) 2.283 1.047 ( -3.896 2.665 -0.814) 4.790 1.123 ( 0.377 3.005 0.602) 3.087 1.158 ( -4.184 0.643 2.548) 4.941 1.207 ( -3.225 0.890 -0.540) 3.389 1.252 ( 2.663 2.120 0.597) 3.456 1.261 ( 0.587 0.518 -1.392) 1.597 1.296 ( 0.844 0.962 2.260) 2.597 1.320 ( 1.273 -0.953 -1.949) 2.516 1.359 ( -1.525 -0.087 3.992) 4.275 1.389 ( 1.179 -2.549 -1.736) 3.302 1.442 ( 1.266 0.387 -0.814) 1.554 1.457 ( 2.367 2.215 1.762) 3.689 1.494 ( 2.607 2.108 1.459) 3.656 1.550 ( 2.525 0.969 -2.256) 3.522 1.588 ( 1.533 3.226 2.053) 4.120 1.597 ( -0.040 1.178 0.360) 1.233 1.613 ( 0.614 0.239 1.180) 1.352 1.633 ( 0.565 -0.960 0.119) 1.120 1.685 ( 1.405 4.319 -0.708) 4.597 1.740 ( -1.907 3.190 -3.548) 5.138 1.767 ( -1.511 -0.016 1.199) 1.929 1.800 ( -1.711 -1.017 -1.123) 2.285 1.835 ( 1.151 -0.419 -1.641) 2.048 1.862 ( 3.390 -1.492 0.730) 3.775 1.883 ( -0.208 1.094 0.952) 1.466 1.898 ( -1.604 -1.971 -3.253) 4.128 1.904 ( -1.324 -2.360 0.463) 2.745 1.961 ( 0.271 -1.266 1.308) 1.840 1.990 ( -1.235 -3.499 -0.024) 3.711 2.011 ( 2.932 -2.768 -2.023) 4.511 2.046 ( -0.766 -3.392 -0.764) 3.560 2.136 ( -1.220 -1.752 0.411) 2.174 2.156 ( -1.475 -3.872 -0.000) 4.143 2.199 ( -1.590 -3.810 -0.137) 4.131 2.228 ( 0.948 -1.569 -0.629) 1.938 2.277 ( 0.828 -5.532 0.462) 5.613 2.428 ( 4.965 -6.304 0.465) 8.037 2.443 ( -1.109 0.304 -0.404) 1.219 2.493 ( -0.015 -4.058 0.033) 4.058 2.516 ( -2.473 1.303 -0.992) 2.966 2.570 ( -0.781 1.460 1.213) 2.052 2.601 ( -5.294 0.099 1.060) 5.400 2.652 ( -0.836 -3.219 0.365) 3.346 2.694 ( -1.284 -2.343 0.326) 2.691 2.743 ( -2.555 0.380 -0.168) 2.589 2.825 ( -2.669 1.976 -0.511) 3.360 2.887 ( -1.165 2.134 0.172) 2.437 2.928 ( -2.813 0.412 0.712) 2.930 3.008 ( -0.072 -0.359 1.500) 1.544 3.059 ( 2.819 0.942 0.731) 3.061 3.066 ( 0.503 0.434 -0.474) 0.816 3.147 ( 2.437 -1.543 0.153) 2.888 3.238 ( 2.291 -1.111 -0.705) 2.642 3.282 ( -1.858 3.317 0.081) 3.803 3.338 ( -2.289 2.640 -0.036) 3.495 3.411 ( -1.114 1.050 0.254) 1.552 3.431 ( -0.667 -0.169 -0.147) 0.703 3.567 ( 0.833 0.429 0.692) 1.165 3.581 ( 0.570 -0.169 -0.500) 0.776 3.650 ( 0.179 -2.265 0.012) 2.272 3.659 ( 0.299 -2.349 -0.381) 2.398 3.719 ( 1.306 1.353 -0.043) 1.881 3.738 ( 1.283 1.642 -0.135) 2.088 3.767 ( 0.353 0.950 0.048) 1.014 3.772 ( 0.634 2.441 0.215) 2.531 3.785 ( 0.412 -0.197 0.037) 0.458 3.803 ( 0.713 1.126 -0.024) 1.333 3.901 ( -1.417 -0.487 0.421) 1.557 3.906 ( -1.361 0.251 -0.318) 1.420 3.970 ( 4.658 1.028 0.640) 4.813 3.989 ( 3.308 1.446 -0.461) 3.640 4.078 ( 4.041 0.715 0.277) 4.113 4.086 ( 4.643 -0.653 -0.215) 4.694 4.318 ( -2.301 1.124 0.013) 2.560 4.336 ( -0.823 1.870 -0.059) 2.044 4.341 ( -2.624 1.455 -0.102) 3.003 4.356 ( -1.200 3.215 0.252) 3.441 4.716 ( 2.368 1.173 0.387) 2.670 4.730 ( 1.629 1.910 -0.482) 2.556 5.066 ( -6.228 -4.269 0.232) 7.554 5.089 ( -6.546 -3.756 -0.152) 7.549 5.443 ( 1.104 -1.553 0.108) 1.908 5.456 ( 1.514 -1.905 -0.223) 2.444 5.486 ( -0.085 -1.045 0.177) 1.063 5.505 ( 0.146 -1.801 0.101) 1.810 5.698 ( 2.756 4.671 -0.073) 5.424 5.725 ( 3.677 4.552 0.279) 5.858 5.926 ( -1.300 -0.805 -0.117) 1.534 5.933 ( -1.489 -0.833 0.037) 1.707 6.116 ( 0.220 -0.350 -0.038) 0.416 6.143 ( -0.392 -1.076 0.015) 1.145 6.186 ( 1.645 -1.852 0.033) 2.477 6.217 ( 1.024 -1.998 -0.189) 2.253 6.679 ( -0.609 -0.056 0.177) 0.636 6.707 ( 0.237 -0.644 -0.255) 0.732 6.707 ( 0.362 -0.431 0.120) 0.575 6.715 ( 0.071 -0.472 -0.217) 0.524 14.726 ( -0.679 0.843 -0.148) 1.093 14.738 ( -0.030 0.792 0.176) 0.812 14.815 ( -2.080 -1.369 -0.316) 2.510 14.824 ( -1.359 -1.322 0.210) 1.907 15.088 ( 0.156 2.175 0.229) 2.192 15.114 ( 0.845 2.532 -0.539) 2.723 15.173 ( 1.743 0.257 0.976) 2.014 15.198 ( 2.634 0.259 -0.813) 2.769 15.401 ( -1.568 0.572 0.256) 1.689 15.429 ( -1.989 1.044 -0.975) 2.449 15.472 ( 0.030 -0.523 0.652) 0.837 15.524 ( 2.355 -1.244 0.085) 2.665 15.562 ( -0.644 2.301 -0.238) 2.401 15.586 ( 0.482 1.824 0.038) 1.887 15.808 ( 0.005 -3.702 -0.693) 3.766 15.817 ( 1.203 -3.778 0.757) 4.037 16.125 ( 0.576 -0.629 0.357) 0.925 16.137 ( 0.070 -1.280 -0.446) 1.357 16.187 ( -1.096 -2.345 0.278) 2.603 16.222 ( -1.031 -2.989 -0.754) 3.251 17.563 ( -0.110 1.653 0.498) 1.730 17.592 ( -1.106 1.822 -1.060) 2.380 17.666 ( -1.391 -2.035 0.401) 2.497 17.682 ( -1.335 -1.895 -0.148) 2.323 17.863 ( 1.227 2.095 0.318) 2.448 17.926 ( 2.796 2.067 -0.478) 3.510 17.953 ( 1.747 0.478 -0.580) 1.902 17.981 ( 3.152 0.301 0.371) 3.188 18.077 ( -1.153 3.736 0.735) 3.978 18.155 ( 1.204 3.916 -1.331) 4.308 18.257 ( -2.526 1.865 0.638) 3.204 18.266 ( -3.486 1.253 -1.301) 3.927 18.484 ( 0.125 0.658 -0.148) 0.686 18.526 ( 1.938 1.018 -0.823) 2.338 18.584 ( 1.808 -0.673 1.728) 2.590 18.598 ( 1.631 0.977 -0.977) 2.137 18.653 ( 0.374 -1.307 1.422) 1.967 18.677 ( 1.609 -0.619 -0.098) 1.727 18.936 ( -6.185 0.263 0.783) 6.240 18.986 ( -3.500 -1.556 0.638) 3.883 ======================= Grid point 47 (25/44) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 3.222 4.576 -2.046) 5.959 0.740 ( 4.598 4.321 3.390) 7.163 0.793 ( 1.750 4.283 1.991) 5.037 0.827 ( -3.325 3.863 0.267) 5.104 0.847 ( -2.847 5.170 1.671) 6.134 0.946 ( 0.621 3.083 -5.246) 6.116 0.995 ( -1.857 -0.701 2.172) 2.942 1.043 ( 0.684 -0.841 -0.743) 1.315 1.083 ( -2.405 -0.253 0.295) 2.436 1.130 ( -1.247 0.188 -1.234) 1.764 1.158 ( 0.476 -0.010 0.672) 0.824 1.244 ( -1.330 -2.486 -2.654) 3.872 1.260 ( 0.052 0.308 -2.301) 2.322 1.334 ( -0.819 -1.176 2.607) 2.975 1.354 ( 3.856 -0.425 1.023) 4.012 1.383 ( 1.365 -0.792 0.107) 1.582 1.393 ( -0.478 -0.330 0.747) 0.946 1.422 ( -1.430 1.940 -4.495) 5.100 1.468 ( -0.380 -0.775 0.160) 0.878 1.525 ( -2.533 -2.205 0.372) 3.379 1.564 ( -0.431 0.349 0.682) 0.879 1.573 ( -0.458 -0.045 -2.905) 2.941 1.625 ( 0.977 2.068 2.689) 3.530 1.633 ( -0.081 1.682 -0.621) 1.795 1.667 ( -1.360 2.107 -0.186) 2.515 1.695 ( 2.321 3.435 2.887) 5.052 1.702 ( -0.366 0.307 1.096) 1.196 1.750 ( -0.617 0.684 1.069) 1.411 1.796 ( 2.257 2.549 1.853) 3.876 1.855 ( -1.776 2.075 -1.003) 2.909 1.874 ( 0.385 -1.823 0.330) 1.892 1.917 ( 2.868 -0.102 -2.598) 3.871 1.930 ( 2.659 0.367 -0.309) 2.702 1.936 ( 3.619 -0.534 0.998) 3.792 1.970 ( -1.274 0.058 -0.849) 1.532 2.005 ( 4.193 0.208 -1.004) 4.316 2.041 ( 4.100 0.726 0.332) 4.177 2.064 ( 0.732 -4.792 0.456) 4.869 2.074 ( -1.236 -1.621 0.747) 2.172 2.166 ( 0.050 -2.610 -0.227) 2.620 2.199 ( 1.557 -2.237 -0.774) 2.833 2.228 ( -0.252 -1.495 0.329) 1.552 2.300 ( -3.574 -1.028 -0.104) 3.720 2.339 ( -7.008 -1.833 0.181) 7.246 2.388 ( -3.890 2.316 0.362) 4.541 2.472 ( 0.198 -1.402 -0.047) 1.417 2.491 ( -1.191 -1.569 -0.736) 2.103 2.564 ( 1.373 -1.595 0.846) 2.268 2.598 ( 0.752 -0.438 1.114) 1.414 2.633 ( 0.639 -1.275 -1.462) 2.043 2.663 ( -1.750 -1.238 1.106) 2.412 2.698 ( -3.487 -0.582 -0.996) 3.672 2.790 ( -0.590 -0.338 -0.444) 0.812 2.840 ( -1.438 -0.092 -2.100) 2.547 2.892 ( -0.054 0.354 1.674) 1.712 2.985 ( -2.691 -1.820 1.531) 3.591 3.117 ( 1.281 0.617 1.575) 2.122 3.136 ( 3.684 0.960 -0.035) 3.807 3.173 ( 2.128 -0.602 -1.290) 2.560 3.241 ( -1.959 -0.733 -0.441) 2.137 3.296 ( 0.964 0.928 0.509) 1.432 3.309 ( 1.272 1.652 -0.530) 2.151 3.380 ( -1.893 -0.191 0.262) 1.921 3.387 ( -2.849 -1.200 -0.167) 3.096 3.583 ( 0.509 -1.463 0.361) 1.590 3.609 ( 1.516 -0.622 -0.161) 1.646 3.637 ( -0.645 -2.846 -0.131) 2.921 3.664 ( -0.074 -1.981 -0.144) 1.987 3.750 ( 1.354 1.878 0.171) 2.321 3.761 ( 0.975 1.777 -0.102) 2.030 3.769 ( -0.557 1.995 0.123) 2.075 3.789 ( 0.420 2.820 -0.092) 2.852 3.794 ( 1.056 0.798 0.185) 1.337 3.820 ( 1.757 0.714 0.047) 1.897 3.857 ( -2.788 0.205 -0.420) 2.827 3.868 ( -2.197 -0.164 0.140) 2.207 4.068 ( 3.806 3.648 0.590) 5.305 4.079 ( 5.204 3.784 -0.420) 6.448 4.154 ( 1.664 4.546 0.273) 4.849 4.172 ( 2.560 3.743 -0.352) 4.549 4.265 ( -1.516 -1.385 0.318) 2.078 4.288 ( -1.486 0.076 -0.393) 1.539 4.306 ( -2.000 -0.527 0.074) 2.070 4.326 ( -1.995 0.975 -0.011) 2.221 4.787 ( 4.377 0.443 0.026) 4.399 4.794 ( 5.203 -0.060 -0.040) 5.204 4.933 ( -6.444 -1.869 -0.139) 6.711 4.942 ( -7.690 -1.903 0.038) 7.922 5.466 ( 1.155 -2.851 0.225) 3.084 5.477 ( 0.503 -2.380 -0.033) 2.433 5.482 ( -0.130 -2.994 -0.055) 2.997 5.499 ( -0.775 -3.243 0.080) 3.336 5.772 ( 4.290 2.568 0.002) 5.000 5.808 ( 4.305 2.224 0.031) 4.846 5.877 ( -3.570 0.123 -0.334) 3.588 5.883 ( -3.294 0.009 0.197) 3.300 6.139 ( 1.207 0.399 0.113) 1.277 6.151 ( 1.055 0.610 -0.167) 1.230 6.207 ( 0.405 -1.079 0.145) 1.161 6.218 ( -0.554 -0.913 -0.092) 1.072 6.674 ( -0.036 -0.481 0.290) 0.563 6.698 ( -0.561 -0.945 -0.252) 1.128 6.716 ( 0.063 -1.194 0.037) 1.197 6.718 ( 0.441 -1.254 -0.159) 1.338 14.716 ( -0.107 0.170 0.156) 0.254 14.750 ( 0.812 0.238 0.056) 0.848 14.768 ( -1.747 -0.981 -0.260) 2.020 14.798 ( -1.212 -0.944 0.081) 1.538 15.096 ( 0.349 2.307 0.412) 2.370 15.128 ( 0.698 2.741 -0.781) 2.935 15.202 ( 0.341 -0.512 1.161) 1.314 15.241 ( 1.730 -0.593 -0.923) 2.048 15.382 ( -0.611 1.422 0.109) 1.552 15.395 ( -0.599 1.930 -1.017) 2.262 15.473 ( -0.395 1.150 1.849) 2.214 15.550 ( 0.347 2.482 -1.004) 2.699 15.556 ( 0.162 -1.607 0.524) 1.698 15.593 ( 0.370 0.540 -0.625) 0.905 15.812 ( 0.538 -3.878 0.052) 3.915 15.835 ( 0.116 -4.358 0.092) 4.360 16.139 ( 0.823 -1.374 -0.373) 1.644 16.146 ( 0.755 -1.308 0.689) 1.660 16.163 ( -0.992 -1.584 -0.363) 1.904 16.194 ( -1.267 -1.835 -0.377) 2.262 17.567 ( 0.193 1.006 0.263) 1.057 17.581 ( 0.176 1.193 -0.456) 1.289 17.639 ( -1.293 -1.790 0.605) 2.289 17.656 ( -0.841 -2.013 -0.336) 2.208 17.896 ( 1.619 3.115 0.408) 3.534 17.963 ( -0.214 2.638 -1.293) 2.946 17.987 ( 2.328 1.718 1.031) 3.071 18.033 ( 1.032 0.845 0.691) 1.502 18.081 ( 2.192 1.329 0.415) 2.597 18.179 ( -0.170 2.881 -0.321) 2.904 18.184 ( -2.280 1.068 -2.522) 3.563 18.200 ( -2.514 1.499 0.795) 3.033 18.488 ( 0.488 0.716 -0.360) 0.939 18.573 ( 2.622 0.303 -1.895) 3.250 18.595 ( -0.525 0.021 0.802) 0.959 18.616 ( 0.288 -0.054 -0.749) 0.804 18.684 ( 1.933 0.433 2.675) 3.328 18.725 ( 0.612 -0.787 1.841) 2.093 18.827 ( -2.710 1.320 -0.551) 3.065 18.898 ( -4.911 -0.572 -0.612) 4.982 ======================= Grid point 48 (26/44) ======================= q-point: (-0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -8.070 6.055 0.173) 10.090 0.661 ( -6.975 6.656 1.803) 9.808 0.836 ( 7.082 -0.483 -1.040) 7.174 0.883 ( -4.848 1.489 0.163) 5.074 0.928 ( 4.985 3.789 1.549) 6.450 0.953 ( 3.317 4.049 1.958) 5.589 0.993 ( 4.918 2.335 -0.659) 5.483 1.055 ( -0.113 0.887 0.575) 1.063 1.092 ( 1.128 -0.777 0.333) 1.410 1.096 ( -0.057 -1.066 -4.526) 4.651 1.176 ( 0.689 0.766 0.373) 1.096 1.205 ( -0.946 -1.526 -2.270) 2.894 1.246 ( -1.243 1.517 -0.022) 1.961 1.309 ( -2.010 -0.683 2.008) 2.922 1.339 ( -1.883 1.976 -2.450) 3.668 1.378 ( -0.401 -0.434 -0.335) 0.679 1.387 ( 0.488 -1.994 -0.808) 2.206 1.455 ( -1.374 -2.332 2.183) 3.477 1.461 ( 0.518 3.458 0.087) 3.498 1.500 ( -0.017 1.656 -2.078) 2.658 1.519 ( -0.925 -0.099 -1.306) 1.603 1.556 ( -0.726 -0.235 0.028) 0.763 1.632 ( -0.039 1.822 1.371) 2.281 1.649 ( -0.161 0.356 -0.691) 0.794 1.678 ( 0.302 -0.315 2.292) 2.333 1.706 ( 0.183 1.501 1.359) 2.033 1.747 ( 1.318 0.733 1.971) 2.481 1.753 ( -0.454 -0.232 -0.631) 0.812 1.792 ( 0.047 2.397 -0.515) 2.452 1.800 ( -1.527 0.275 1.189) 1.955 1.871 ( -0.520 -2.394 -0.892) 2.607 1.906 ( -0.449 -1.879 -0.564) 2.012 1.918 ( -2.999 1.367 -1.175) 3.499 1.964 ( -1.893 -1.983 0.729) 2.836 1.992 ( -0.132 -2.045 0.756) 2.184 2.052 ( -1.098 -4.544 0.853) 4.753 2.077 ( -0.407 -2.291 0.238) 2.339 2.095 ( 0.473 2.594 1.142) 2.873 2.129 ( 2.266 0.258 -1.359) 2.655 2.166 ( -0.470 -0.258 -1.767) 1.847 2.186 ( 0.824 2.125 -1.305) 2.626 2.223 ( -1.369 -2.626 -0.785) 3.063 2.270 ( 4.287 0.270 0.917) 4.392 2.312 ( 6.424 -0.954 1.313) 6.626 2.414 ( 4.860 -0.108 0.904) 4.944 2.420 ( -1.016 0.320 -1.720) 2.023 2.513 ( -1.913 -2.499 1.091) 3.331 2.556 ( -4.203 -2.014 0.230) 4.666 2.603 ( -0.754 -3.267 -1.604) 3.717 2.625 ( -1.967 0.658 1.322) 2.459 2.633 ( 3.044 0.819 0.696) 3.228 2.691 ( 2.261 -1.674 -0.697) 2.898 2.790 ( 2.328 -1.975 -1.761) 3.525 2.853 ( 3.367 2.728 -0.722) 4.393 2.921 ( -2.439 -0.434 0.713) 2.578 2.947 ( 1.806 -2.792 2.063) 3.913 3.111 ( -1.595 1.336 0.820) 2.236 3.141 ( -4.403 0.731 0.548) 4.496 3.191 ( -0.362 -0.869 -0.991) 1.367 3.231 ( 1.891 -0.606 -0.523) 2.054 3.291 ( -1.357 1.199 0.296) 1.835 3.317 ( -0.935 1.098 -0.315) 1.477 3.374 ( 1.895 -0.422 0.189) 1.950 3.388 ( 2.688 -0.959 -0.057) 2.855 3.585 ( -0.907 -0.897 0.464) 1.357 3.603 ( -0.720 -1.648 -0.288) 1.821 3.649 ( 0.042 -2.130 -0.022) 2.131 3.658 ( 0.471 -2.087 -0.227) 2.151 3.750 ( -1.276 2.007 0.124) 2.381 3.765 ( -1.006 1.333 -0.023) 1.670 3.771 ( 0.762 2.301 0.307) 2.444 3.784 ( -0.045 2.176 -0.427) 2.218 3.798 ( -1.940 1.204 0.309) 2.304 3.815 ( -1.252 0.961 0.055) 1.580 3.853 ( 1.786 -0.120 -0.380) 1.830 3.868 ( 2.680 0.173 0.080) 2.686 4.062 ( -4.490 3.658 0.324) 5.800 4.086 ( -4.556 3.748 -0.150) 5.902 4.156 ( -2.085 4.118 0.327) 4.627 4.170 ( -2.187 4.280 -0.411) 4.824 4.264 ( 1.886 -1.022 0.301) 2.166 4.289 ( 1.060 -1.481 -0.376) 1.860 4.310 ( 2.064 0.852 0.090) 2.235 4.320 ( 1.921 0.690 -0.027) 2.041 4.787 ( -4.386 -0.140 0.021) 4.389 4.796 ( -5.219 0.551 -0.037) 5.248 4.933 ( 7.071 -2.146 -0.249) 7.394 4.938 ( 7.116 -1.724 0.149) 7.324 5.468 ( -1.055 -2.831 0.241) 3.031 5.477 ( -0.802 -2.525 -0.098) 2.651 5.489 ( 0.120 -2.782 -0.147) 2.788 5.490 ( 0.829 -3.200 0.224) 3.313 5.780 ( -4.520 2.408 -0.001) 5.121 5.797 ( -3.997 2.284 0.028) 4.604 5.875 ( 3.431 0.308 -0.167) 3.449 5.887 ( 3.250 -0.123 0.038) 3.253 6.140 ( -0.824 0.578 0.132) 1.015 6.151 ( -1.502 0.363 -0.189) 1.557 6.204 ( -0.107 -0.688 0.106) 0.705 6.222 ( 0.424 -1.265 -0.051) 1.335 6.676 ( -0.036 -0.582 0.372) 0.691 6.693 ( 0.369 -0.846 -0.334) 0.982 6.715 ( -0.131 -0.919 -0.002) 0.928 6.724 ( 0.143 -1.725 -0.122) 1.735 14.726 ( 0.667 0.087 0.681) 0.957 14.731 ( -0.697 0.183 -0.572) 0.920 14.782 ( 0.484 -0.932 -0.264) 1.083 14.793 ( 1.831 -0.853 0.188) 2.029 15.100 ( -0.348 2.221 0.548) 2.314 15.125 ( -0.450 2.821 -0.925) 3.003 15.198 ( -1.312 -0.657 1.017) 1.785 15.245 ( -0.848 -0.427 -0.768) 1.221 15.378 ( 0.386 1.771 -0.035) 1.813 15.397 ( 1.215 1.338 -0.824) 1.987 15.482 ( 0.089 1.777 2.144) 2.786 15.541 ( -0.948 -0.696 -1.358) 1.796 15.561 ( 0.521 1.698 0.730) 1.920 15.589 ( -0.365 0.056 -0.822) 0.901 15.821 ( -0.830 -4.244 -0.164) 4.328 15.826 ( 0.073 -4.043 0.301) 4.054 16.131 ( -1.010 -1.043 -0.076) 1.454 16.158 ( -0.288 -1.218 0.505) 1.350 16.174 ( 1.107 -1.534 -0.155) 1.898 16.183 ( 1.436 -2.426 -0.710) 2.907 17.566 ( -0.457 1.024 0.208) 1.141 17.582 ( 0.183 1.063 -0.384) 1.145 17.637 ( 0.848 -1.566 0.450) 1.837 17.660 ( 1.423 -2.265 -0.202) 2.682 17.902 ( -1.907 3.429 0.506) 3.956 17.950 ( 0.490 2.499 -0.811) 2.673 18.001 ( -1.649 0.848 0.608) 1.952 18.046 ( -0.662 0.985 0.790) 1.426 18.102 ( -3.022 0.764 0.822) 3.223 18.138 ( -0.584 3.616 -1.531) 3.970 18.154 ( 3.381 0.952 -0.580) 3.560 18.241 ( 3.507 1.634 -0.946) 3.983 18.495 ( -0.036 0.807 0.467) 0.933 18.568 ( -0.980 -0.137 -2.479) 2.669 18.582 ( -1.626 -0.251 0.278) 1.668 18.623 ( 0.421 -0.575 -0.458) 0.847 18.670 ( -4.232 0.979 2.890) 5.217 18.742 ( -0.515 0.451 2.375) 2.472 18.835 ( 1.708 1.607 -0.546) 2.407 18.873 ( 4.957 -0.656 -1.010) 5.101 ======================= Grid point 49 (27/44) ======================= q-point: (-0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -1.603 10.125 4.367) 11.143 0.572 ( -3.407 10.524 3.979) 11.756 0.816 ( -0.310 6.603 -4.192) 7.828 0.935 ( -1.923 1.985 1.358) 3.079 0.980 ( 4.180 -0.588 0.135) 4.224 0.990 ( 1.240 5.013 -2.167) 5.601 1.009 ( -2.762 5.030 -4.279) 7.158 1.063 ( -1.191 5.250 0.219) 5.388 1.110 ( 1.628 4.041 -1.347) 4.560 1.129 ( 3.425 -0.432 3.186) 4.698 1.178 ( 0.900 0.983 1.554) 2.047 1.203 ( 0.774 -1.529 0.052) 1.714 1.239 ( 1.603 1.032 -0.922) 2.118 1.286 ( -1.280 0.640 1.520) 2.088 1.332 ( 0.758 -0.538 0.344) 0.991 1.368 ( -3.818 6.118 0.352) 7.221 1.388 ( -1.089 0.933 2.445) 2.835 1.408 ( 1.942 -1.353 -0.191) 2.375 1.442 ( -2.238 -0.691 -1.164) 2.616 1.482 ( -1.201 2.610 -0.730) 2.964 1.517 ( 0.826 -0.657 0.160) 1.068 1.541 ( -0.760 -0.067 1.005) 1.262 1.623 ( -2.755 1.350 1.631) 3.475 1.631 ( -1.886 2.362 -0.601) 3.081 1.661 ( -0.763 -0.249 0.470) 0.930 1.669 ( -1.241 1.110 -0.780) 1.839 1.766 ( 1.420 -2.103 -2.328) 3.444 1.787 ( -1.982 -0.229 -0.300) 2.017 1.820 ( 2.140 1.266 -2.047) 3.221 1.839 ( -0.380 -1.097 -0.287) 1.196 1.851 ( 4.072 -0.634 1.148) 4.278 1.871 ( 0.926 -0.690 -0.091) 1.158 1.899 ( -1.508 -2.867 0.414) 3.266 1.917 ( -0.106 -2.950 0.479) 2.990 1.991 ( -1.085 -1.119 0.316) 1.590 2.012 ( -0.949 -1.073 -1.686) 2.212 2.023 ( -1.462 -3.915 0.634) 4.227 2.120 ( 0.679 -2.617 -2.793) 3.887 2.149 ( -0.623 -2.171 0.379) 2.290 2.178 ( 2.185 -0.289 -2.292) 3.180 2.210 ( 1.569 -5.114 0.860) 5.418 2.220 ( -0.683 -5.118 -0.734) 5.215 2.278 ( -0.868 -3.690 -0.014) 3.791 2.400 ( -0.729 0.316 2.450) 2.575 2.431 ( -2.072 -0.383 -1.380) 2.519 2.471 ( -0.606 -3.501 0.443) 3.581 2.501 ( 3.846 1.092 -0.486) 4.027 2.560 ( 0.859 -0.450 1.326) 1.643 2.602 ( 0.751 -0.277 0.609) 1.006 2.619 ( 5.427 -0.543 1.050) 5.554 2.687 ( 1.864 -0.103 0.607) 1.963 2.706 ( 0.379 -3.392 -0.783) 3.502 2.861 ( 1.556 -0.322 -1.365) 2.095 2.902 ( 2.996 2.265 0.348) 3.772 2.932 ( 2.852 2.230 0.538) 3.661 2.975 ( 0.205 -0.649 1.924) 2.041 3.046 ( -4.086 0.177 0.305) 4.101 3.094 ( -0.510 0.270 0.041) 0.579 3.164 ( -1.624 -0.118 1.051) 1.938 3.211 ( -2.844 -2.183 -1.304) 3.815 3.312 ( 2.270 2.975 -0.259) 3.752 3.315 ( 1.519 2.706 0.276) 3.115 3.412 ( 0.926 0.336 0.277) 1.023 3.430 ( 1.117 0.518 -0.165) 1.242 3.562 ( -1.027 0.379 0.423) 1.173 3.591 ( -0.457 0.311 -0.179) 0.581 3.640 ( -0.325 -2.849 -0.134) 2.870 3.666 ( -0.083 -2.007 -0.266) 2.026 3.723 ( -1.226 1.599 -0.020) 2.016 3.735 ( -1.399 1.359 -0.160) 1.957 3.765 ( -0.553 0.809 0.100) 0.985 3.784 ( -0.102 1.323 -0.156) 1.336 3.786 ( -0.839 1.794 0.690) 2.098 3.793 ( -0.548 0.289 -0.372) 0.722 3.888 ( 1.357 0.470 0.085) 1.439 3.909 ( 1.037 -0.202 0.026) 1.057 3.967 ( -4.139 0.300 0.446) 4.174 3.996 ( -3.617 1.878 -0.272) 4.085 4.073 ( -4.523 -0.027 0.175) 4.526 4.088 ( -4.254 0.175 -0.111) 4.259 4.327 ( 1.837 0.357 -0.176) 1.880 4.330 ( 2.515 0.919 0.326) 2.697 4.339 ( 1.268 3.076 -0.368) 3.348 4.353 ( 1.309 3.314 0.323) 3.578 4.712 ( -2.516 1.127 0.177) 2.763 4.736 ( -1.497 1.919 -0.277) 2.450 5.065 ( 5.871 -4.631 0.216) 7.480 5.088 ( 6.999 -3.417 -0.136) 7.790 5.440 ( -1.669 -2.076 0.060) 2.664 5.462 ( -0.818 -1.284 -0.198) 1.535 5.487 ( -0.412 -0.931 0.172) 1.032 5.501 ( 0.098 -2.002 0.144) 2.009 5.698 ( -3.077 4.473 -0.093) 5.430 5.721 ( -3.470 4.923 0.310) 6.031 5.928 ( 1.638 -0.610 -0.178) 1.757 5.931 ( 1.140 -0.976 0.098) 1.504 6.127 ( -0.082 -0.814 -0.197) 0.841 6.130 ( 0.117 -0.641 0.170) 0.673 6.191 ( -1.273 -1.831 0.065) 2.231 6.216 ( -1.104 -2.198 -0.222) 2.470 6.682 ( 0.453 -0.202 0.256) 0.559 6.698 ( 0.098 -0.425 -0.215) 0.487 6.711 ( -0.431 -0.300 -0.004) 0.525 6.720 ( -0.222 -0.911 -0.225) 0.964 14.730 ( 0.650 0.885 -0.261) 1.129 14.738 ( 0.202 0.839 0.299) 0.913 14.802 ( 1.642 -1.282 -0.158) 2.089 14.834 ( 1.731 -1.505 0.037) 2.294 15.093 ( -0.486 1.944 0.444) 2.053 15.109 ( -0.405 2.728 -0.748) 2.858 15.167 ( -2.142 -0.004 0.671) 2.245 15.206 ( -2.293 0.575 -0.516) 2.420 15.403 ( 2.032 0.991 0.330) 2.285 15.424 ( 1.909 0.010 -0.911) 2.115 15.490 ( -0.999 0.429 0.952) 1.445 15.504 ( -1.616 -0.864 -0.413) 1.878 15.574 ( -0.467 1.217 -0.500) 1.396 15.579 ( 0.583 2.307 0.352) 2.405 15.795 ( -1.058 -3.622 -0.159) 3.777 15.830 ( -0.209 -4.010 0.202) 4.021 16.117 ( -0.402 -0.618 0.115) 0.746 16.149 ( -0.433 -0.963 -0.193) 1.074 16.191 ( 0.592 -2.092 0.444) 2.219 16.218 ( 1.898 -3.718 -0.955) 4.282 17.561 ( -0.103 1.708 0.383) 1.753 17.594 ( 1.598 1.394 -0.855) 2.287 17.665 ( 1.411 -1.645 0.182) 2.175 17.692 ( 1.430 -2.416 -0.047) 2.808 17.862 ( -1.740 2.377 0.282) 2.959 17.944 ( -1.437 0.921 -0.047) 1.707 17.952 ( -2.466 0.810 -1.050) 2.800 17.989 ( -4.123 0.353 0.388) 4.157 18.079 ( 0.078 3.086 0.854) 3.203 18.141 ( 1.057 4.795 -1.754) 5.214 18.223 ( 3.263 1.085 -0.104) 3.440 18.302 ( 2.902 2.324 -0.632) 3.771 18.488 ( -0.796 0.638 0.771) 1.279 18.528 ( -1.429 -0.493 -1.704) 2.278 18.553 ( -1.293 1.058 0.886) 1.891 18.602 ( -1.984 -0.969 0.005) 2.208 18.641 ( -0.648 0.244 1.350) 1.517 18.700 ( -2.280 -0.273 0.275) 2.313 18.940 ( 5.717 0.596 0.921) 5.821 18.961 ( 3.971 -1.176 0.525) 4.175 ======================= Grid point 50 (28/44) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.143 8.557 5.791) 10.334 0.835 ( -0.083 9.695 1.686) 9.841 0.876 ( 1.261 -3.761 3.157) 5.070 0.956 ( -1.733 3.566 -3.702) 5.424 1.006 ( 1.610 2.678 -4.353) 5.358 1.049 ( -1.701 -0.930 -2.858) 3.454 1.076 ( -1.467 5.557 -1.751) 6.008 1.108 ( 1.655 0.342 -2.144) 2.730 1.160 ( 0.205 -1.650 0.181) 1.672 1.182 ( 1.722 -1.998 0.266) 2.651 1.221 ( -1.964 2.386 0.662) 3.160 1.265 ( 1.308 0.143 0.284) 1.346 1.277 ( -0.539 -0.924 -2.137) 2.390 1.293 ( 1.520 -0.927 0.924) 2.006 1.326 ( -0.176 -0.492 2.445) 2.500 1.349 ( -0.031 -1.472 0.464) 1.544 1.376 ( -1.200 2.033 0.951) 2.545 1.403 ( 1.372 -0.737 -2.096) 2.611 1.497 ( 1.664 4.046 2.389) 4.984 1.527 ( -0.285 6.348 1.629) 6.560 1.566 ( -0.726 -1.873 0.714) 2.132 1.580 ( -3.557 4.180 -0.317) 5.498 1.601 ( 1.084 -0.109 0.911) 1.420 1.615 ( 0.585 0.737 1.278) 1.587 1.661 ( 2.191 0.817 -0.404) 2.373 1.696 ( -0.119 1.304 0.691) 1.481 1.733 ( 0.421 -0.315 0.749) 0.915 1.756 ( 1.084 0.253 -0.676) 1.302 1.765 ( -1.464 -3.291 2.361) 4.307 1.815 ( -0.620 -3.138 0.819) 3.302 1.838 ( -0.794 -1.064 0.072) 1.329 1.851 ( 0.770 -1.559 0.976) 1.994 1.901 ( -0.605 0.203 -0.427) 0.768 1.919 ( 0.170 -1.521 -1.170) 1.926 1.948 ( -0.001 -0.804 1.295) 1.524 1.957 ( 0.034 -1.174 0.623) 1.329 1.996 ( 0.202 1.379 -1.330) 1.926 2.056 ( -3.011 -0.320 -3.509) 4.634 2.086 ( -0.227 0.008 -1.041) 1.065 2.100 ( 1.214 -3.789 -0.888) 4.077 2.137 ( 0.056 -2.269 -0.681) 2.369 2.162 ( 0.829 -4.092 -0.878) 4.267 2.189 ( 0.394 -0.633 -2.346) 2.462 2.238 ( -2.356 -6.044 -3.743) 7.489 2.456 ( -0.241 2.079 1.682) 2.685 2.491 ( -2.277 0.036 0.115) 2.280 2.540 ( 3.465 2.347 2.260) 4.756 2.558 ( 1.001 -0.086 0.260) 1.037 2.594 ( 0.337 -2.184 -0.919) 2.394 2.606 ( 0.236 -3.321 -0.020) 3.329 2.710 ( -1.325 0.492 2.156) 2.578 2.739 ( 0.804 -1.623 0.158) 1.818 2.889 ( 1.714 0.523 0.603) 1.891 2.901 ( 0.198 -0.941 0.085) 0.965 2.972 ( -2.253 0.479 0.160) 2.309 2.983 ( -0.716 -0.209 -0.349) 0.824 3.091 ( 0.270 2.946 0.829) 3.072 3.116 ( -0.265 1.043 -0.067) 1.078 3.133 ( -1.189 0.654 0.370) 1.406 3.159 ( 2.238 -1.477 -0.398) 2.711 3.377 ( -0.374 2.854 0.372) 2.902 3.401 ( 0.236 2.358 -0.616) 2.449 3.429 ( 0.366 -1.635 0.374) 1.717 3.440 ( -0.502 -1.164 -0.110) 1.272 3.571 ( 0.160 0.259 0.376) 0.484 3.585 ( -0.505 -1.258 -0.301) 1.388 3.609 ( 0.678 0.058 0.050) 0.682 3.621 ( -0.407 -1.185 -0.481) 1.342 3.737 ( -0.290 0.821 0.106) 0.877 3.743 ( 0.174 0.510 -0.291) 0.613 3.760 ( -0.148 -0.743 0.243) 0.796 3.763 ( 0.384 -0.762 0.039) 0.854 3.816 ( 0.074 5.970 0.303) 5.978 3.830 ( -0.192 5.455 -0.294) 5.466 3.927 ( -0.184 -2.766 0.426) 2.804 3.935 ( -0.025 -3.799 0.071) 3.800 3.940 ( 0.083 1.284 0.493) 1.378 3.960 ( 0.270 2.530 -0.409) 2.577 3.986 ( 0.204 -2.808 0.305) 2.832 4.001 ( -0.299 -1.143 -0.332) 1.227 4.360 ( -0.007 0.564 0.187) 0.594 4.369 ( 0.276 -0.029 -0.248) 0.372 4.374 ( -0.654 -0.391 0.092) 0.767 4.376 ( 0.396 -0.278 0.047) 0.486 4.799 ( -0.067 8.303 0.866) 8.348 4.840 ( 0.054 8.662 -0.922) 8.712 4.975 ( -0.071 -9.065 0.941) 9.114 5.018 ( 0.077 -8.878 -0.927) 8.926 5.437 ( 0.173 1.377 0.336) 1.428 5.454 ( -0.333 0.648 -0.459) 0.861 5.471 ( 0.047 -1.271 0.259) 1.298 5.474 ( 0.103 -1.436 0.054) 1.440 5.784 ( 0.124 6.393 0.651) 6.427 5.813 ( -0.006 6.600 -0.616) 6.628 5.893 ( -0.088 -3.968 0.493) 3.999 5.914 ( -0.025 -3.111 -0.449) 3.143 6.109 ( -0.604 -0.755 0.048) 0.968 6.113 ( 0.799 -1.215 -0.115) 1.459 6.132 ( -0.408 -1.000 0.105) 1.085 6.138 ( 0.250 -1.826 -0.128) 1.847 6.693 ( -0.122 0.238 0.179) 0.322 6.697 ( 0.141 -0.198 0.038) 0.246 6.706 ( -0.070 0.290 0.014) 0.298 6.712 ( 0.027 -0.283 -0.189) 0.341 14.767 ( 0.110 1.434 -0.081) 1.440 14.768 ( -0.294 1.914 -0.137) 1.941 14.798 ( 0.315 -1.478 0.349) 1.551 14.811 ( -0.158 -2.113 -0.234) 2.132 15.121 ( -0.107 1.604 0.650) 1.734 15.144 ( 0.139 -0.355 0.568) 0.684 15.156 ( 0.145 1.914 -0.644) 2.025 15.182 ( -0.131 -0.364 -0.859) 0.942 15.432 ( -0.454 -0.045 -0.092) 0.466 15.438 ( 0.556 -0.621 -0.378) 0.916 15.462 ( 0.713 -0.203 0.155) 0.757 15.466 ( -0.822 -0.552 0.020) 0.990 15.635 ( -0.207 4.189 0.344) 4.208 15.649 ( 0.162 3.936 -0.259) 3.948 15.719 ( 0.356 -4.040 0.449) 4.081 15.735 ( -0.301 -4.633 -0.297) 4.652 16.115 ( 0.104 0.491 -0.185) 0.535 16.128 ( -0.254 -0.510 -0.873) 1.042 16.160 ( -0.137 -1.090 0.593) 1.249 16.171 ( 0.335 -2.229 0.006) 2.255 17.600 ( -0.099 1.730 0.483) 1.799 17.629 ( 0.576 -0.781 -0.611) 1.147 17.651 ( -0.417 -0.198 -0.084) 0.469 17.667 ( -0.009 -1.374 -0.461) 1.449 17.888 ( -0.144 1.967 0.726) 2.102 17.913 ( 0.252 -0.342 -0.211) 0.475 17.944 ( -0.496 0.702 -0.130) 0.869 17.951 ( -0.246 0.109 -0.096) 0.285 18.177 ( 0.206 4.534 0.993) 4.646 18.235 ( 0.134 2.670 -1.566) 3.098 18.259 ( 0.851 -0.858 0.680) 1.387 18.315 ( -0.481 -2.481 -1.788) 3.096 18.500 ( 0.260 1.014 0.096) 1.051 18.515 ( 0.194 -0.228 -0.209) 0.365 18.559 ( -0.276 1.109 1.117) 1.598 18.580 ( 0.399 -0.387 0.193) 0.588 18.636 ( -0.552 0.855 1.164) 1.546 18.662 ( -0.443 -1.165 -0.187) 1.260 18.982 ( 0.158 -0.434 0.240) 0.521 18.988 ( 0.088 -0.956 0.106) 0.965 ======================= Grid point 51 (29/44) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.932 7.298 5.639) 9.269 0.835 ( -0.384 6.034 3.588) 7.030 0.878 ( -3.325 8.710 -3.683) 10.024 0.915 ( 0.733 -1.657 2.196) 2.847 0.993 ( -2.351 -0.321 -0.651) 2.461 0.999 ( -1.109 -0.572 -5.231) 5.378 1.035 ( -1.306 3.369 -0.881) 3.719 1.067 ( -3.684 1.497 -2.958) 4.956 1.119 ( -2.565 -3.338 0.854) 4.295 1.151 ( -1.825 -5.511 -1.988) 6.137 1.170 ( -3.515 1.153 1.208) 3.892 1.225 ( -3.171 -2.599 0.372) 4.117 1.283 ( 0.656 0.859 -0.644) 1.258 1.299 ( -1.325 1.616 -0.647) 2.187 1.331 ( -0.997 -1.608 -2.154) 2.867 1.340 ( 1.524 -0.570 1.263) 2.060 1.386 ( 0.412 1.388 1.763) 2.282 1.422 ( -0.135 -1.755 -1.918) 2.603 1.511 ( -1.364 3.094 0.867) 3.491 1.550 ( -0.092 0.037 -0.383) 0.395 1.579 ( 0.647 2.716 0.143) 2.796 1.618 ( 4.873 2.914 0.936) 5.755 1.637 ( 0.632 0.952 1.315) 1.743 1.644 ( -1.535 0.235 -0.064) 1.555 1.666 ( 4.666 3.842 2.854) 6.684 1.742 ( -0.180 -2.524 -0.730) 2.633 1.751 ( -0.604 0.051 1.306) 1.440 1.759 ( 0.962 -0.821 0.401) 1.327 1.795 ( 1.932 -1.668 2.549) 3.607 1.801 ( 0.479 -0.111 1.088) 1.194 1.824 ( -0.736 1.528 0.121) 1.701 1.885 ( 1.334 0.773 0.998) 1.836 1.893 ( 0.572 -0.612 -0.029) 0.838 1.926 ( 0.313 1.439 0.109) 1.477 1.952 ( 0.900 0.180 -0.143) 0.929 1.959 ( 1.331 -1.444 0.697) 2.084 1.987 ( 0.952 -0.299 -0.656) 1.194 2.012 ( 2.922 2.985 -3.698) 5.579 2.078 ( -1.791 -3.662 -1.087) 4.219 2.100 ( -1.145 -1.757 0.300) 2.118 2.127 ( 2.732 -1.361 -2.048) 3.675 2.184 ( 1.011 -2.713 -0.571) 2.951 2.201 ( 1.063 -1.484 -1.139) 2.152 2.248 ( 5.427 -9.442 -1.974) 11.068 2.454 ( -1.562 0.790 0.623) 1.858 2.461 ( -1.772 -0.112 0.983) 2.030 2.550 ( -1.536 1.350 -0.932) 2.247 2.583 ( -0.794 -2.124 0.347) 2.294 2.596 ( -0.198 0.422 -1.445) 1.519 2.624 ( 1.755 -1.110 0.772) 2.215 2.667 ( -3.002 2.398 0.785) 3.921 2.727 ( -2.531 -2.261 1.590) 3.748 2.871 ( -2.336 2.674 -2.088) 4.119 2.912 ( -0.829 -0.933 0.362) 1.300 2.919 ( -3.135 1.110 1.453) 3.630 2.970 ( -1.942 -3.224 1.986) 4.255 3.082 ( 0.642 1.459 -0.165) 1.603 3.116 ( 0.701 -1.613 -0.067) 1.760 3.127 ( 1.130 4.405 -0.103) 4.549 3.200 ( 1.416 -2.796 -0.496) 3.173 3.347 ( -1.811 3.012 0.311) 3.528 3.381 ( -2.358 1.859 -0.535) 3.049 3.396 ( -2.160 -1.770 0.255) 2.804 3.419 ( -2.094 -1.410 0.114) 2.527 3.571 ( -0.384 0.201 -0.054) 0.437 3.581 ( 0.499 -0.317 0.411) 0.720 3.612 ( -0.204 -0.731 -0.704) 1.035 3.623 ( 0.516 -1.366 0.071) 1.461 3.750 ( 1.665 1.580 0.085) 2.297 3.770 ( 1.619 1.362 -0.043) 2.116 3.775 ( 1.535 -0.679 0.167) 1.687 3.791 ( 1.144 -0.295 -0.152) 1.191 3.834 ( 0.378 3.599 0.076) 3.620 3.842 ( 1.153 3.604 0.049) 3.784 3.886 ( -2.071 -1.365 0.212) 2.490 3.899 ( -1.848 -1.407 -0.060) 2.324 3.999 ( 5.018 2.248 0.703) 5.544 4.020 ( 4.976 1.980 -0.606) 5.390 4.058 ( 5.679 -2.871 0.118) 6.364 4.067 ( 6.357 -2.001 -0.042) 6.665 4.338 ( -2.252 1.073 -0.039) 2.495 4.345 ( -2.071 1.555 0.077) 2.591 4.360 ( -1.200 -0.719 -0.035) 1.400 4.377 ( -0.887 -0.926 0.026) 1.282 4.799 ( -0.170 6.808 0.779) 6.854 4.827 ( -0.675 7.288 -0.772) 7.360 4.948 ( -3.065 -7.413 0.731) 8.055 4.978 ( -3.417 -7.251 -0.760) 8.051 5.433 ( -0.665 0.608 0.397) 0.985 5.440 ( -0.532 0.200 -0.343) 0.664 5.460 ( -1.057 -1.362 -0.049) 1.725 5.464 ( -1.117 -2.051 0.115) 2.338 5.801 ( 1.040 5.388 0.203) 5.491 5.821 ( 1.171 4.798 -0.105) 4.940 5.889 ( -0.734 -3.245 0.211) 3.333 5.898 ( -1.152 -2.915 -0.233) 3.143 6.119 ( 1.626 0.783 -0.032) 1.805 6.139 ( 1.452 0.793 -0.104) 1.658 6.147 ( 2.208 -1.880 0.048) 2.900 6.173 ( 2.103 -2.281 -0.004) 3.102 6.683 ( -0.814 0.396 0.134) 0.915 6.694 ( -0.562 -0.680 0.087) 0.887 6.702 ( -0.293 0.042 -0.079) 0.307 6.707 ( -0.397 -0.375 -0.113) 0.558 14.748 ( -1.435 1.306 -0.079) 1.942 14.757 ( -0.871 0.913 0.269) 1.291 14.787 ( -1.409 -1.195 -0.199) 1.858 14.795 ( -0.952 -1.465 -0.004) 1.747 15.130 ( 0.461 2.021 0.554) 2.145 15.155 ( 0.750 0.421 -0.218) 0.887 15.174 ( 1.461 0.740 0.316) 1.668 15.196 ( 1.851 -0.662 -0.933) 2.176 15.419 ( -0.491 1.237 -0.090) 1.334 15.443 ( -0.194 -0.463 -0.851) 0.988 15.455 ( 0.186 0.297 0.584) 0.681 15.487 ( 1.137 -2.081 0.245) 2.384 15.632 ( -0.191 4.451 0.219) 4.460 15.648 ( -0.109 4.027 -0.252) 4.037 15.726 ( 0.002 -4.627 -0.109) 4.628 15.734 ( 0.421 -4.477 0.213) 4.502 16.117 ( 0.188 -0.218 0.067) 0.296 16.119 ( -0.088 -0.427 -0.638) 0.773 16.155 ( -0.452 -0.488 0.185) 0.691 16.172 ( -0.291 -1.933 0.007) 1.955 17.594 ( -0.635 1.504 0.356) 1.671 17.619 ( -0.986 0.377 -0.977) 1.438 17.630 ( -1.392 -0.959 0.614) 1.799 17.649 ( -1.360 -1.491 -0.313) 2.043 17.910 ( 2.061 2.443 -0.052) 3.196 17.944 ( 2.633 -0.699 -0.539) 2.777 17.968 ( 2.565 1.164 0.295) 2.832 17.983 ( 2.785 -0.247 0.859) 2.925 18.161 ( -2.241 4.419 0.795) 5.018 18.219 ( -1.047 1.048 -0.838) 1.702 18.250 ( -2.000 -0.753 0.189) 2.145 18.274 ( -2.062 -0.779 -1.888) 2.903 18.511 ( 0.621 1.685 -0.459) 1.853 18.533 ( 1.773 -0.447 -0.855) 2.018 18.578 ( 1.016 0.429 1.675) 2.006 18.600 ( 1.044 -1.175 -0.065) 1.573 18.645 ( 0.918 0.819 1.634) 2.045 18.664 ( 1.101 -0.827 0.079) 1.379 18.942 ( -3.942 0.465 -0.116) 3.971 18.958 ( -3.085 -1.196 0.010) 3.309 ======================= Grid point 52 (30/44) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -1.147 4.669 -0.834) 4.880 0.821 ( -0.567 3.308 0.592) 3.408 0.866 ( -3.541 2.229 0.567) 4.222 0.901 ( 0.228 1.846 0.709) 1.991 0.924 ( 0.262 1.573 1.054) 1.911 0.960 ( -1.664 -1.628 2.265) 3.249 1.008 ( 0.316 2.221 -4.733) 5.238 1.035 ( 0.824 2.554 -0.810) 2.804 1.064 ( -2.463 -2.133 0.586) 3.310 1.122 ( -0.457 -2.391 -1.124) 2.681 1.147 ( 0.123 -0.346 0.596) 0.700 1.177 ( -1.336 -2.621 -0.337) 2.961 1.271 ( 0.696 0.932 -1.528) 1.920 1.304 ( -0.005 -1.645 -0.767) 1.815 1.341 ( 3.857 0.177 0.289) 3.872 1.369 ( 0.854 -0.543 0.127) 1.020 1.393 ( -0.514 -1.156 -0.541) 1.376 1.407 ( -0.926 -1.699 -0.446) 1.985 1.465 ( -2.286 -0.233 -0.169) 2.304 1.477 ( -5.224 -0.950 0.104) 5.310 1.585 ( -0.808 2.500 -2.180) 3.414 1.600 ( -0.985 1.814 -1.212) 2.394 1.646 ( -0.367 -0.197 2.706) 2.738 1.646 ( -0.442 -0.553 -0.451) 0.839 1.700 ( -1.136 2.439 -0.049) 2.691 1.730 ( -1.003 1.225 1.964) 2.523 1.758 ( 0.793 1.373 2.490) 2.952 1.800 ( -1.245 4.501 -0.081) 4.671 1.806 ( 1.345 -1.794 0.288) 2.260 1.834 ( 0.970 -3.348 1.378) 3.749 1.837 ( 0.608 -1.513 0.382) 1.675 1.896 ( -1.091 -1.780 -0.894) 2.271 1.927 ( 1.421 0.501 0.339) 1.544 1.934 ( 0.404 0.858 0.703) 1.181 1.971 ( 0.665 -1.582 -0.002) 1.716 1.997 ( 0.618 -1.016 -1.352) 1.800 2.061 ( 2.376 1.085 1.470) 2.997 2.074 ( 4.508 -0.804 1.681) 4.878 2.093 ( 4.949 5.386 2.006) 7.584 2.139 ( 4.187 1.093 -1.700) 4.649 2.184 ( 4.852 2.919 -1.903) 5.973 2.207 ( 1.302 -1.247 -0.488) 1.868 2.247 ( 5.339 -3.341 -0.148) 6.300 2.311 ( -5.068 -2.769 -0.355) 5.786 2.394 ( 0.451 -2.319 -0.965) 2.552 2.408 ( -2.790 -2.006 0.307) 3.450 2.500 ( -2.470 2.062 -0.395) 3.242 2.555 ( -2.733 -1.739 0.261) 3.250 2.572 ( -1.390 0.187 0.642) 1.542 2.614 ( -2.618 -1.539 -0.312) 3.053 2.646 ( 0.306 0.134 -1.773) 1.804 2.666 ( -2.582 -1.575 -0.725) 3.111 2.831 ( -0.886 3.313 0.302) 3.443 2.855 ( -2.043 1.820 -0.143) 2.740 2.893 ( -0.524 -0.724 0.543) 1.046 2.929 ( -3.037 -3.406 1.916) 4.949 3.127 ( 2.005 0.629 0.655) 2.201 3.146 ( 1.893 -1.115 -0.294) 2.216 3.164 ( 2.264 1.555 0.056) 2.747 3.208 ( -0.227 -2.363 -0.538) 2.434 3.321 ( -0.988 1.401 0.098) 1.717 3.339 ( -0.712 0.652 -0.776) 1.238 3.359 ( -1.640 -0.556 0.334) 1.764 3.373 ( -2.024 -0.847 0.112) 2.197 3.569 ( 0.071 0.159 0.202) 0.266 3.589 ( -0.136 -1.874 0.001) 1.879 3.610 ( 0.495 0.577 -0.167) 0.779 3.629 ( 0.081 -1.414 -0.167) 1.426 3.785 ( 1.410 1.341 0.351) 1.977 3.791 ( 0.742 0.882 0.266) 1.183 3.804 ( 0.223 1.290 -0.177) 1.321 3.813 ( 1.718 0.500 -0.097) 1.791 3.834 ( 0.107 1.409 0.069) 1.415 3.843 ( -0.513 1.659 -0.109) 1.739 3.853 ( -1.477 -0.493 0.078) 1.559 3.866 ( -1.555 -0.398 -0.204) 1.618 4.119 ( 5.574 2.361 0.327) 6.062 4.141 ( 6.370 2.906 -0.278) 7.007 4.172 ( 4.544 -2.625 0.225) 5.252 4.196 ( 5.519 -1.867 -0.125) 5.828 4.277 ( -3.325 2.486 0.044) 4.152 4.295 ( -2.350 2.738 -0.044) 3.608 4.315 ( -3.299 -0.550 -0.133) 3.347 4.336 ( -3.309 -0.746 0.053) 3.392 4.814 ( 0.996 2.355 0.600) 2.626 4.822 ( 1.420 2.711 -0.282) 3.073 4.883 ( -3.114 -2.964 0.062) 4.299 4.894 ( -4.156 -2.913 -0.511) 5.101 5.426 ( -0.058 -0.859 0.211) 0.886 5.435 ( 0.138 -1.077 -0.145) 1.096 5.439 ( -1.087 -1.756 0.286) 2.085 5.443 ( -0.682 -1.929 -0.156) 2.051 5.825 ( 1.181 2.608 0.109) 2.865 5.848 ( 1.381 1.671 0.093) 2.170 5.866 ( -1.379 -1.315 -0.209) 1.917 5.875 ( -1.087 -0.835 -0.064) 1.373 6.155 ( 1.474 1.206 0.120) 1.908 6.171 ( 1.334 1.036 -0.330) 1.721 6.184 ( 1.235 -1.064 0.247) 1.649 6.199 ( 0.397 -1.138 -0.045) 1.206 6.670 ( -0.383 0.158 0.154) 0.442 6.680 ( -0.635 -0.786 -0.040) 1.011 6.697 ( -0.126 -0.486 -0.060) 0.506 6.699 ( -0.266 -0.663 -0.035) 0.715 14.725 ( -0.645 0.770 0.237) 1.032 14.745 ( -0.800 -1.125 0.352) 1.425 14.761 ( -0.394 0.654 -0.417) 0.870 14.778 ( -0.688 -1.033 -0.135) 1.249 15.141 ( 0.217 2.090 0.564) 2.175 15.168 ( 0.519 0.088 -0.320) 0.616 15.198 ( 0.496 0.985 0.368) 1.163 15.225 ( 1.251 -1.126 -0.874) 1.896 15.414 ( 0.011 1.865 0.007) 1.865 15.433 ( -0.150 1.354 -0.908) 1.637 15.468 ( 0.371 -0.620 1.158) 1.365 15.501 ( 0.226 -2.800 0.051) 2.810 15.631 ( -0.048 4.810 0.046) 4.811 15.644 ( -0.026 4.025 -0.400) 4.045 15.728 ( 0.242 -4.580 0.046) 4.586 15.739 ( -0.077 -5.193 0.031) 5.193 16.119 ( 0.271 -0.521 -0.094) 0.595 16.123 ( 0.216 -0.871 0.330) 0.956 16.148 ( -0.197 0.032 -0.284) 0.347 16.162 ( -0.610 -1.329 -0.173) 1.473 17.586 ( -0.287 0.916 0.234) 0.988 17.599 ( -0.418 0.366 -0.520) 0.760 17.610 ( -0.679 -0.700 0.465) 1.080 17.624 ( -0.713 -1.249 -0.234) 1.457 17.957 ( 2.471 2.794 -0.308) 3.743 17.989 ( 1.527 -0.128 -0.685) 1.679 18.023 ( 1.891 1.539 1.181) 2.709 18.042 ( 1.900 -0.359 1.125) 2.237 18.119 ( -1.489 2.745 0.721) 3.205 18.171 ( -3.279 -2.015 0.104) 3.850 18.222 ( -0.014 1.279 -1.516) 1.983 18.226 ( -1.307 0.796 -1.408) 2.080 18.518 ( 0.511 2.181 -0.524) 2.301 18.559 ( 1.074 -1.594 -1.235) 2.284 18.592 ( -0.451 0.004 1.075) 1.166 18.604 ( -0.256 -1.038 -0.384) 1.136 18.700 ( 2.989 0.898 2.520) 4.011 18.713 ( 2.403 -0.535 1.767) 3.030 18.855 ( -3.476 1.446 -1.109) 3.925 18.881 ( -3.839 -1.139 -0.984) 4.124 ======================= Grid point 53 (31/44) ======================= q-point: (-0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -3.465 5.428 0.062) 6.440 0.809 ( -2.553 4.008 1.742) 5.061 0.811 ( 1.705 1.199 -0.919) 2.278 0.933 ( 0.956 -0.117 -0.085) 0.967 0.962 ( 1.265 -1.076 1.687) 2.367 0.993 ( 4.235 2.220 0.699) 4.832 1.015 ( 2.418 1.172 -3.287) 4.246 1.046 ( 2.671 -3.672 -1.394) 4.750 1.089 ( 2.748 3.023 1.227) 4.266 1.110 ( 0.004 1.370 -1.093) 1.753 1.159 ( 0.989 -1.871 -0.296) 2.137 1.165 ( 0.141 -2.187 -0.524) 2.254 1.274 ( -1.169 1.376 0.663) 1.924 1.305 ( -1.052 -0.734 0.479) 1.369 1.336 ( -0.306 -0.219 -1.215) 1.272 1.353 ( -1.541 -1.556 -0.573) 2.264 1.395 ( -0.537 0.810 0.114) 0.978 1.409 ( 1.047 -0.901 -1.698) 2.189 1.465 ( 3.513 -0.819 -0.398) 3.630 1.479 ( 2.912 -2.260 0.153) 3.689 1.558 ( 0.264 2.770 -1.614) 3.217 1.589 ( 1.237 1.275 -1.239) 2.166 1.647 ( -0.021 0.266 0.911) 0.949 1.649 ( -1.881 0.147 1.710) 2.546 1.680 ( -0.015 1.253 0.892) 1.538 1.730 ( 0.542 -2.209 -0.549) 2.340 1.770 ( -2.168 2.705 2.186) 4.098 1.792 ( 0.817 4.671 1.093) 4.866 1.807 ( -1.362 0.226 0.115) 1.385 1.823 ( -0.594 -1.261 0.236) 1.413 1.851 ( -2.249 -3.072 2.354) 4.476 1.867 ( -1.295 -0.611 0.236) 1.451 1.920 ( -1.260 3.216 -0.477) 3.487 1.940 ( -0.364 -2.105 -1.021) 2.368 1.961 ( 0.480 -3.063 1.188) 3.320 1.989 ( -1.292 -0.100 -1.284) 1.824 2.065 ( -5.016 1.491 0.756) 5.287 2.099 ( -2.079 -2.467 2.107) 3.853 2.123 ( -0.584 1.242 1.767) 2.238 2.165 ( -1.619 -0.440 -2.081) 2.673 2.180 ( -2.165 0.574 -1.533) 2.714 2.230 ( -3.643 -4.603 1.169) 5.986 2.269 ( -2.960 4.043 -2.389) 5.551 2.325 ( 7.418 -0.192 0.093) 7.422 2.415 ( 3.551 1.419 -0.654) 3.880 2.443 ( 3.080 0.535 -0.513) 3.167 2.479 ( 0.751 1.125 1.628) 2.117 2.521 ( 0.011 -2.076 -0.304) 2.098 2.546 ( -0.804 -1.105 -0.529) 1.465 2.603 ( 2.509 -3.621 -0.367) 4.421 2.634 ( 0.161 -1.020 -1.304) 1.664 2.652 ( 1.199 -1.467 -0.588) 1.984 2.805 ( 0.005 3.867 0.017) 3.867 2.882 ( -0.181 -2.507 0.416) 2.548 2.902 ( 2.847 0.940 0.082) 3.000 2.918 ( 2.144 -0.421 1.981) 2.949 3.126 ( -2.019 0.772 0.497) 2.218 3.156 ( -1.280 -2.104 0.083) 2.464 3.164 ( -2.328 1.651 0.041) 2.854 3.203 ( -0.136 -2.017 -0.711) 2.143 3.319 ( 0.538 1.484 0.060) 1.580 3.338 ( 1.207 0.215 -0.635) 1.381 3.363 ( 1.343 -0.253 0.192) 1.380 3.371 ( 2.388 -0.629 0.171) 2.476 3.574 ( 0.144 -0.178 0.456) 0.510 3.580 ( -0.405 -0.762 -0.306) 0.915 3.621 ( 0.087 -0.591 0.026) 0.598 3.625 ( 0.016 -1.020 -0.310) 1.066 3.788 ( -1.422 1.377 0.359) 2.012 3.792 ( -0.838 1.002 0.310) 1.342 3.804 ( -0.869 0.961 -0.153) 1.305 3.811 ( -1.163 0.486 -0.166) 1.271 3.835 ( 0.221 1.536 0.133) 1.558 3.841 ( -0.065 1.566 -0.242) 1.586 3.851 ( 1.511 -0.150 0.125) 1.523 3.866 ( 1.632 -0.587 -0.192) 1.745 4.115 ( -6.287 2.378 0.264) 6.727 4.141 ( -5.452 2.157 -0.179) 5.866 4.172 ( -5.474 -1.906 0.151) 5.799 4.199 ( -4.920 -2.057 -0.084) 5.333 4.283 ( 2.960 2.557 0.206) 3.917 4.287 ( 2.879 2.849 -0.217) 4.056 4.320 ( 2.809 -0.604 -0.192) 2.880 4.331 ( 3.565 -0.690 0.120) 3.633 4.809 ( -1.755 2.417 0.281) 3.000 4.830 ( -0.936 2.584 0.087) 2.749 4.877 ( 3.076 -3.119 -0.154) 4.383 4.896 ( 4.472 -2.700 -0.345) 5.235 5.423 ( -0.486 -1.100 0.140) 1.211 5.435 ( 0.733 -2.068 0.112) 2.197 5.439 ( 0.452 -0.928 -0.042) 1.033 5.446 ( 0.949 -1.490 -0.014) 1.766 5.828 ( -1.472 2.244 0.184) 2.690 5.838 ( -1.080 1.631 -0.053) 1.957 5.872 ( 1.329 -0.618 -0.156) 1.474 5.874 ( 1.000 -1.144 -0.046) 1.520 6.158 ( -1.341 1.144 0.235) 1.778 6.167 ( -1.482 1.016 -0.380) 1.837 6.187 ( -1.102 -0.873 0.194) 1.419 6.198 ( -0.455 -1.250 -0.057) 1.332 6.671 ( 0.306 0.092 0.181) 0.367 6.678 ( 0.537 -0.622 -0.074) 0.825 6.699 ( 0.323 -0.588 -0.047) 0.672 6.699 ( 0.260 -0.698 -0.042) 0.746 14.731 ( 0.923 0.414 0.540) 1.147 14.736 ( 0.278 0.105 -0.135) 0.327 14.767 ( 0.419 -0.355 -0.175) 0.577 14.775 ( 0.914 -0.912 -0.193) 1.305 15.142 ( -0.533 1.934 0.595) 2.092 15.167 ( -0.395 -0.002 -0.349) 0.527 15.195 ( -0.920 1.420 0.237) 1.708 15.229 ( -0.412 -1.335 -0.743) 1.583 15.417 ( 0.203 2.042 0.096) 2.055 15.428 ( 0.166 1.500 -0.795) 1.706 15.479 ( -0.058 -1.244 1.273) 1.780 15.496 ( -0.720 -2.482 -0.268) 2.598 15.631 ( 0.044 4.475 0.087) 4.476 15.643 ( 0.176 4.433 -0.436) 4.458 15.729 ( -0.468 -5.012 0.032) 5.034 15.737 ( 0.144 -4.827 0.042) 4.830 16.120 ( -0.197 0.061 0.054) 0.213 16.134 ( 0.770 -1.229 0.418) 1.510 16.149 ( -0.299 -0.806 -0.576) 1.034 16.150 ( 0.345 -0.769 -0.120) 0.851 17.585 ( 0.072 0.895 0.208) 0.921 17.596 ( 0.404 0.155 -0.301) 0.527 17.614 ( 0.771 -0.482 0.250) 0.943 17.626 ( 0.996 -1.260 -0.212) 1.620 17.965 ( -2.377 2.630 -0.407) 3.568 17.987 ( -0.662 0.623 -0.599) 1.089 18.023 ( -2.075 1.500 1.200) 2.828 18.051 ( -2.173 -0.864 1.356) 2.703 18.120 ( 0.028 1.418 0.656) 1.563 18.150 ( 2.410 -1.196 -0.270) 2.704 18.209 ( 1.297 3.224 -1.634) 3.840 18.251 ( 2.963 -0.811 -1.164) 3.285 18.522 ( -0.044 1.853 -0.242) 1.869 18.554 ( -0.645 -1.052 -1.635) 2.048 18.581 ( -1.043 0.094 1.037) 1.474 18.598 ( -0.315 -1.492 0.136) 1.531 18.702 ( -3.801 1.832 2.123) 4.723 18.733 ( -2.668 -1.208 2.158) 3.637 18.857 ( 3.802 0.664 -1.043) 3.998 18.865 ( 4.160 -0.251 -1.333) 4.376 ======================= Grid point 54 (32/44) ======================= q-point: (-0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.920 8.436 4.058) 9.407 0.795 ( 1.351 11.030 1.271) 11.185 0.850 ( 0.767 -5.034 1.961) 5.456 0.979 ( 3.323 4.175 -2.628) 5.948 0.991 ( 0.190 -2.762 -1.381) 3.094 1.044 ( 4.062 -0.089 -1.038) 4.193 1.052 ( 3.520 1.686 -2.397) 4.580 1.085 ( 0.529 1.550 -2.815) 3.257 1.126 ( 1.478 -1.142 -1.156) 2.197 1.165 ( 1.188 -2.362 -0.623) 2.717 1.168 ( 3.033 2.512 2.209) 4.516 1.209 ( 4.452 0.044 0.709) 4.509 1.277 ( 1.001 1.718 0.713) 2.112 1.297 ( -0.192 -0.814 1.506) 1.723 1.306 ( -1.781 0.129 -0.855) 1.980 1.344 ( 0.577 -2.937 -0.994) 3.154 1.400 ( 0.015 -0.197 -0.394) 0.441 1.408 ( 0.406 -0.828 -2.122) 2.313 1.509 ( 0.936 2.516 0.734) 2.783 1.530 ( 1.138 2.820 -0.501) 3.082 1.538 ( -1.454 2.820 0.651) 3.239 1.603 ( -1.075 4.918 0.453) 5.055 1.611 ( -1.798 -1.453 1.943) 3.020 1.648 ( -2.653 2.451 1.961) 4.110 1.699 ( -3.372 2.805 0.786) 4.456 1.715 ( -0.824 -2.893 -0.376) 3.032 1.720 ( 0.470 -1.914 -0.384) 2.007 1.768 ( -2.885 0.491 2.524) 3.865 1.798 ( 0.111 -1.969 1.134) 2.275 1.809 ( -1.432 -0.627 -0.418) 1.618 1.833 ( 0.121 -1.434 0.601) 1.560 1.869 ( 1.977 1.009 0.659) 2.315 1.885 ( -3.537 -1.022 0.742) 3.756 1.918 ( -0.410 2.359 0.241) 2.406 1.954 ( 0.456 0.505 -1.351) 1.512 1.974 ( -1.908 -3.449 -0.067) 3.942 1.988 ( -1.177 -0.704 0.720) 1.549 2.066 ( -0.222 -6.800 -0.108) 6.805 2.111 ( -1.020 0.254 -2.062) 2.314 2.128 ( -0.045 -0.307 0.243) 0.394 2.143 ( -1.389 -0.763 -1.617) 2.264 2.180 ( -2.164 -2.121 -1.900) 3.576 2.213 ( -0.636 0.751 -2.928) 3.089 2.316 ( -3.461 -7.246 -1.916) 8.255 2.452 ( -0.348 3.103 3.057) 4.370 2.473 ( 1.287 1.814 1.363) 2.609 2.531 ( 1.698 0.359 -2.697) 3.207 2.540 ( -0.546 -2.159 0.616) 2.311 2.566 ( 2.158 -0.246 -0.300) 2.193 2.616 ( -0.388 -3.291 -0.259) 3.324 2.670 ( 4.666 2.300 0.137) 5.204 2.705 ( 1.239 0.058 2.468) 2.763 2.841 ( 3.231 0.515 -1.185) 3.480 2.888 ( 0.838 -2.794 0.546) 2.968 2.966 ( 2.514 1.122 0.483) 2.795 2.984 ( 2.176 -0.308 1.877) 2.890 3.080 ( -1.882 3.073 -0.302) 3.616 3.119 ( -0.792 2.588 -0.154) 2.711 3.141 ( -0.369 -2.402 0.728) 2.537 3.169 ( -2.083 -2.194 -1.177) 3.246 3.355 ( 2.246 1.813 0.557) 2.940 3.368 ( 2.257 1.750 -0.604) 2.919 3.403 ( 1.977 -0.509 0.069) 2.043 3.421 ( 2.117 -1.241 0.129) 2.457 3.570 ( -0.260 0.323 -0.002) 0.415 3.584 ( 0.398 -1.189 0.410) 1.319 3.610 ( -0.470 0.254 -0.613) 0.813 3.629 ( -0.025 -1.570 -0.077) 1.572 3.755 ( -1.746 1.408 0.140) 2.247 3.764 ( -1.768 1.488 -0.100) 2.312 3.775 ( -1.205 -0.347 0.218) 1.273 3.789 ( -1.435 -0.861 -0.212) 1.687 3.835 ( -1.067 3.838 0.089) 3.985 3.841 ( -0.239 3.454 0.045) 3.462 3.887 ( 2.024 -0.918 0.246) 2.236 3.897 ( 1.840 -1.654 -0.093) 2.476 3.989 ( -5.186 2.156 0.405) 5.631 4.028 ( -4.886 1.978 -0.301) 5.280 4.048 ( -5.933 -2.852 0.048) 6.583 4.075 ( -6.227 -2.027 0.020) 6.548 4.338 ( 2.196 1.003 -0.037) 2.415 4.344 ( 2.026 1.546 0.075) 2.549 4.361 ( 1.286 -0.659 -0.038) 1.445 4.376 ( 0.917 -0.869 0.028) 1.263 4.793 ( -0.042 6.784 0.524) 6.804 4.834 ( 0.826 7.285 -0.517) 7.349 4.942 ( 2.831 -7.534 0.532) 8.066 4.983 ( 3.820 -7.088 -0.561) 8.072 5.425 ( 0.574 0.602 0.137) 0.844 5.450 ( 0.807 -0.124 -0.034) 0.817 5.457 ( 1.036 -1.951 -0.065) 2.210 5.465 ( 0.761 -1.108 0.081) 1.347 5.796 ( -1.432 5.128 0.167) 5.327 5.821 ( -0.641 4.696 -0.066) 4.740 5.888 ( 0.461 -3.229 0.141) 3.265 5.901 ( 1.383 -2.512 -0.164) 2.872 6.122 ( -1.698 0.527 -0.027) 1.778 6.131 ( -1.601 0.588 -0.063) 1.707 6.154 ( -1.999 -1.552 -0.004) 2.530 6.170 ( -2.104 -2.214 -0.000) 3.055 6.683 ( 0.738 0.306 0.157) 0.814 6.691 ( 0.548 -0.359 0.017) 0.655 6.705 ( 0.236 -0.182 -0.002) 0.298 6.708 ( 0.513 -0.430 -0.144) 0.685 14.750 ( 1.257 1.161 -0.123) 1.715 14.761 ( 1.087 1.324 0.458) 1.773 14.778 ( 1.142 -1.030 -0.316) 1.570 14.799 ( 1.218 -1.919 -0.032) 2.273 15.129 ( -0.899 1.672 0.534) 1.972 15.152 ( -0.858 -0.020 -0.067) 0.861 15.171 ( -1.258 1.786 -0.117) 2.188 15.205 ( -1.369 -0.944 -0.632) 1.779 15.425 ( 0.571 1.148 0.192) 1.296 15.430 ( 0.502 0.548 -0.632) 0.976 15.472 ( -1.173 -1.053 -0.225) 1.592 15.480 ( -0.608 -1.547 0.553) 1.751 15.634 ( 0.103 4.243 0.306) 4.255 15.646 ( 0.298 4.151 -0.338) 4.176 15.718 ( -0.414 -4.127 0.001) 4.147 15.740 ( -0.056 -4.993 0.102) 4.995 16.116 ( -0.101 0.670 -0.254) 0.724 16.138 ( -0.295 -0.504 -0.761) 0.960 16.152 ( 0.545 -1.565 0.700) 1.799 16.161 ( 0.642 -1.723 -0.068) 1.840 17.592 ( 0.472 1.451 0.327) 1.560 17.611 ( 1.244 0.070 -0.457) 1.327 17.638 ( 1.348 -0.628 0.092) 1.490 17.652 ( 1.529 -1.561 -0.280) 2.203 17.911 ( -2.346 2.387 -0.023) 3.347 17.943 ( -2.566 -0.742 -0.535) 2.724 17.979 ( -2.648 1.122 0.348) 2.897 17.992 ( -3.574 -0.216 0.837) 3.677 18.148 ( 1.943 3.680 0.465) 4.187 18.209 ( 3.029 -2.148 -0.147) 3.717 18.235 ( 1.520 4.345 -1.192) 4.755 18.303 ( 2.407 -2.153 -1.075) 3.404 18.510 ( -0.983 1.333 -0.075) 1.658 18.527 ( -1.021 -0.114 -0.809) 1.307 18.568 ( -0.956 0.573 1.145) 1.598 18.586 ( -0.956 -0.780 0.429) 1.306 18.652 ( -1.888 1.213 1.058) 2.481 18.683 ( -2.078 -1.460 0.428) 2.575 18.942 ( 3.745 -0.101 -0.224) 3.753 18.945 ( 3.857 -0.411 0.094) 3.880 ======================= Grid point 70 (33/44) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -1.045 0.000 -10.478) 10.530 0.382 ( 1.045 0.000 10.478) 10.530 0.413 ( 0.643 0.000 -10.269) 10.289 0.413 ( -0.643 0.000 10.269) 10.289 0.890 ( 1.352 0.000 -1.137) 1.767 0.890 ( -1.352 0.000 1.137) 1.767 0.923 ( 0.768 0.000 -18.250) 18.266 0.923 ( -0.768 0.000 18.250) 18.266 1.155 ( -1.710 0.000 -3.973) 4.325 1.155 ( 1.710 0.000 3.973) 4.325 1.170 ( 0.873 0.000 -3.152) 3.270 1.170 ( -0.873 0.000 3.152) 3.270 1.196 ( -1.841 0.000 -2.306) 2.951 1.196 ( 1.841 0.000 2.306) 2.951 1.294 ( -2.072 0.000 -2.116) 2.962 1.294 ( 2.072 0.000 2.116) 2.962 1.386 ( -1.014 0.000 -1.474) 1.790 1.386 ( 1.014 0.000 1.474) 1.790 1.458 ( -0.555 0.000 -2.262) 2.329 1.458 ( 0.555 0.000 2.262) 2.329 1.509 ( -2.804 0.000 -2.894) 4.030 1.509 ( 2.804 0.000 2.894) 4.030 1.596 ( -1.471 0.000 -0.618) 1.595 1.596 ( 1.471 0.000 0.618) 1.595 1.651 ( 1.998 0.000 -4.207) 4.657 1.651 ( -1.998 0.000 4.207) 4.657 1.827 ( 0.228 0.000 -2.114) 2.126 1.827 ( -0.228 0.000 2.114) 2.126 1.832 ( -1.571 0.000 -0.786) 1.757 1.832 ( 1.571 0.000 0.786) 1.757 1.853 ( -0.092 0.000 -1.601) 1.604 1.853 ( 0.092 0.000 1.601) 1.604 1.974 ( -2.172 0.000 -1.068) 2.420 1.974 ( 2.172 0.000 1.068) 2.420 2.058 ( 0.923 0.000 -3.288) 3.415 2.058 ( -0.923 0.000 3.288) 3.415 2.177 ( 0.325 0.000 -1.384) 1.422 2.177 ( -0.325 0.000 1.384) 1.422 2.212 ( -1.045 0.000 -3.586) 3.735 2.212 ( 1.045 0.000 3.586) 3.735 2.316 ( -0.908 0.000 -1.471) 1.729 2.316 ( 0.908 0.000 1.471) 1.729 2.461 ( -2.729 0.000 -1.407) 3.071 2.461 ( 2.729 0.000 1.407) 3.071 2.468 ( -3.748 0.000 1.021) 3.885 2.468 ( 3.748 0.000 -1.021) 3.885 2.612 ( -2.640 0.000 -0.267) 2.654 2.612 ( 2.640 0.000 0.267) 2.654 2.675 ( -2.740 0.000 0.865) 2.873 2.675 ( 2.740 0.000 -0.865) 2.873 2.717 ( 1.858 0.000 -2.851) 3.403 2.717 ( -1.858 0.000 2.851) 3.403 2.884 ( -4.075 0.000 -2.913) 5.009 2.884 ( 4.075 0.000 2.913) 5.009 2.938 ( -3.876 0.000 -1.390) 4.117 2.938 ( 3.876 0.000 1.390) 4.117 3.066 ( -1.878 0.000 -0.532) 1.952 3.066 ( 1.878 0.000 0.532) 1.952 3.153 ( -2.525 0.000 -0.922) 2.688 3.153 ( 2.525 0.000 0.922) 2.688 3.255 ( -4.593 0.000 0.416) 4.611 3.255 ( 4.593 0.000 -0.416) 4.611 3.336 ( -4.986 0.000 -0.312) 4.995 3.336 ( 4.986 0.000 0.312) 4.995 3.543 ( -0.022 0.000 -0.002) 0.022 3.543 ( 0.022 0.000 0.002) 0.022 3.676 ( 0.362 0.000 -0.975) 1.040 3.676 ( -0.362 0.000 0.975) 1.040 3.704 ( -0.343 0.000 -0.170) 0.382 3.704 ( 0.343 0.000 0.170) 0.382 3.731 ( -0.105 0.000 -0.223) 0.246 3.731 ( 0.105 0.000 0.223) 0.246 3.817 ( 0.816 0.000 -0.673) 1.058 3.817 ( -0.816 0.000 0.673) 1.058 3.890 ( -0.536 0.000 -0.322) 0.625 3.890 ( 0.536 0.000 0.322) 0.625 4.075 ( -2.221 0.000 -0.055) 2.222 4.075 ( 2.221 0.000 0.055) 2.222 4.130 ( -2.026 0.000 -0.118) 2.029 4.130 ( 2.026 0.000 0.118) 2.029 4.185 ( -5.402 0.000 -0.285) 5.409 4.185 ( 5.402 0.000 0.285) 5.409 4.204 ( -4.599 0.000 0.498) 4.626 4.204 ( 4.599 0.000 -0.498) 4.626 4.743 ( -0.365 0.000 -0.519) 0.635 4.743 ( 0.365 0.000 0.519) 0.635 5.222 ( -0.736 0.000 -0.030) 0.737 5.222 ( 0.736 0.000 0.030) 0.737 5.432 ( -1.337 0.000 -0.535) 1.439 5.432 ( 1.337 0.000 0.535) 1.439 5.490 ( -0.077 0.000 -0.080) 0.111 5.490 ( 0.077 0.000 0.080) 0.111 5.623 ( 0.072 0.000 -1.435) 1.437 5.623 ( -0.072 0.000 1.435) 1.437 5.941 ( -0.340 0.000 0.035) 0.342 5.941 ( 0.340 0.000 -0.035) 0.342 6.175 ( 1.579 0.000 -0.542) 1.670 6.175 ( -1.579 0.000 0.542) 1.670 6.234 ( 1.185 0.000 -0.404) 1.252 6.234 ( -1.185 0.000 0.404) 1.252 6.687 ( -0.412 0.000 -0.039) 0.414 6.687 ( 0.412 0.000 0.039) 0.414 6.707 ( 0.161 0.000 -0.303) 0.343 6.707 ( -0.161 0.000 0.303) 0.343 14.719 ( -0.372 0.000 0.095) 0.384 14.719 ( 0.372 0.000 -0.095) 0.384 14.871 ( -0.754 0.000 -0.638) 0.988 14.871 ( 0.754 0.000 0.638) 0.988 15.051 ( -1.065 0.000 0.121) 1.072 15.051 ( 1.065 0.000 -0.121) 1.072 15.132 ( 0.697 0.000 -0.628) 0.938 15.132 ( -0.697 0.000 0.628) 0.938 15.428 ( -1.087 0.000 0.138) 1.095 15.428 ( 1.087 0.000 -0.138) 1.095 15.498 ( 0.851 0.000 -0.429) 0.953 15.498 ( -0.851 0.000 0.429) 0.953 15.548 ( -0.733 0.000 -0.518) 0.898 15.548 ( 0.733 0.000 0.518) 0.898 15.880 ( -0.408 0.000 -1.228) 1.294 15.880 ( 0.408 0.000 1.228) 1.294 16.169 ( 0.323 0.000 -0.753) 0.819 16.169 ( -0.323 0.000 0.753) 0.819 16.307 ( 0.310 0.000 -2.232) 2.253 16.307 ( -0.310 0.000 2.232) 2.253 17.506 ( -0.015 0.000 -0.016) 0.022 17.506 ( 0.015 0.000 0.016) 0.022 17.712 ( 0.306 0.000 -0.596) 0.670 17.712 ( -0.306 0.000 0.596) 0.670 17.827 ( -0.249 0.000 -0.852) 0.887 17.827 ( 0.249 0.000 0.852) 0.887 17.950 ( -0.802 0.000 -0.185) 0.823 17.950 ( 0.802 0.000 0.185) 0.823 18.038 ( 0.556 0.000 -0.328) 0.646 18.038 ( -0.556 0.000 0.328) 0.646 18.170 ( -0.266 0.000 -1.222) 1.251 18.170 ( 0.266 0.000 1.222) 1.251 18.493 ( -1.762 0.000 0.209) 1.774 18.493 ( 1.762 0.000 -0.209) 1.774 18.561 ( -2.625 0.000 -0.046) 2.626 18.561 ( 2.625 0.000 0.046) 2.626 18.673 ( -0.321 0.000 -1.436) 1.471 18.673 ( 0.321 0.000 1.436) 1.471 19.090 ( -0.386 0.000 -3.020) 3.045 19.090 ( 0.386 0.000 3.020) 3.045 ======================= Grid point 72 (34/44) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 8.630 0.000 -6.569) 10.846 0.456 ( 8.746 0.000 -8.089) 11.913 0.564 ( 9.120 0.000 6.992) 11.492 0.605 ( 12.367 0.000 8.618) 15.073 0.895 ( 5.649 0.000 -8.109) 9.882 0.897 ( -3.086 0.000 2.033) 3.696 0.910 ( 2.800 0.000 -4.506) 5.305 1.011 ( -1.654 0.000 5.630) 5.868 1.078 ( 2.066 0.000 -0.538) 2.135 1.096 ( -4.409 0.000 -0.173) 4.413 1.160 ( -1.062 0.000 1.188) 1.593 1.209 ( 3.130 0.000 -0.923) 3.263 1.227 ( 3.676 0.000 -3.715) 5.227 1.237 ( -0.960 0.000 -1.869) 2.101 1.306 ( 2.406 0.000 -1.436) 2.802 1.357 ( 1.690 0.000 3.103) 3.533 1.386 ( -0.652 0.000 -3.662) 3.719 1.399 ( 4.358 0.000 -0.063) 4.359 1.417 ( -3.594 0.000 -0.956) 3.719 1.442 ( -0.787 0.000 5.285) 5.343 1.491 ( 1.532 0.000 1.824) 2.382 1.541 ( -0.043 0.000 1.221) 1.222 1.558 ( -0.685 0.000 -1.834) 1.958 1.588 ( -1.475 0.000 -0.852) 1.704 1.639 ( -1.923 0.000 -2.677) 3.296 1.661 ( -0.318 0.000 3.503) 3.518 1.807 ( -1.006 0.000 -2.263) 2.476 1.831 ( -1.552 0.000 1.931) 2.477 1.831 ( -0.451 0.000 1.966) 2.017 1.839 ( -1.230 0.000 2.280) 2.591 1.855 ( 3.647 0.000 1.148) 3.823 1.903 ( -1.181 0.000 3.038) 3.260 1.949 ( -0.110 0.000 -1.024) 1.030 1.955 ( 2.184 0.000 -0.329) 2.208 2.020 ( -3.051 0.000 2.491) 3.939 2.044 ( -0.365 0.000 -1.106) 1.165 2.157 ( -2.223 0.000 -1.544) 2.707 2.178 ( 1.097 0.000 -1.183) 1.613 2.209 ( -7.262 0.000 1.114) 7.347 2.237 ( -0.627 0.000 1.675) 1.788 2.247 ( -1.271 0.000 -0.371) 1.324 2.274 ( -6.259 0.000 1.038) 6.344 2.361 ( -1.814 0.000 -0.437) 1.865 2.407 ( -3.751 0.000 -1.776) 4.150 2.485 ( -0.830 0.000 -3.923) 4.010 2.503 ( 5.632 0.000 0.253) 5.637 2.591 ( -3.850 0.000 0.188) 3.855 2.617 ( -0.584 0.000 -1.663) 1.762 2.622 ( -3.456 0.000 1.511) 3.772 2.659 ( -0.201 0.000 0.089) 0.220 2.729 ( 1.938 0.000 -0.261) 1.955 2.738 ( 0.907 0.000 -1.364) 1.638 2.815 ( -0.693 0.000 -2.436) 2.532 2.860 ( -9.151 0.000 0.076) 9.151 2.958 ( -0.241 0.000 1.625) 1.642 2.959 ( 3.330 0.000 -0.646) 3.392 3.065 ( -0.579 0.000 -0.730) 0.931 3.103 ( 0.888 0.000 1.897) 2.094 3.183 ( -0.685 0.000 1.479) 1.630 3.210 ( 6.989 0.000 0.203) 6.992 3.215 ( -3.417 0.000 -0.735) 3.495 3.235 ( 2.121 0.000 0.505) 2.180 3.337 ( 3.156 0.000 0.594) 3.212 3.390 ( 0.510 0.000 -0.166) 0.536 3.585 ( 3.677 0.000 0.169) 3.681 3.587 ( 3.778 0.000 0.131) 3.780 3.680 ( 0.114 0.000 0.300) 0.321 3.687 ( 0.861 0.000 -0.487) 0.989 3.704 ( 0.356 0.000 0.116) 0.374 3.709 ( 0.051 0.000 -0.790) 0.791 3.736 ( 0.968 0.000 0.174) 0.983 3.738 ( 0.564 0.000 0.291) 0.635 3.811 ( -0.317 0.000 0.941) 0.993 3.834 ( 1.237 0.000 -0.793) 1.469 3.862 ( -0.812 0.000 -1.142) 1.401 3.879 ( -1.198 0.000 0.696) 1.385 4.015 ( -4.878 0.000 0.107) 4.879 4.025 ( -5.675 0.000 -0.297) 5.683 4.059 ( -4.363 0.000 -0.077) 4.363 4.104 ( -3.466 0.000 -0.263) 3.476 4.182 ( 3.735 0.000 0.755) 3.810 4.198 ( 3.758 0.000 -0.382) 3.777 4.302 ( 4.816 0.000 0.354) 4.829 4.307 ( 4.690 0.000 -0.369) 4.705 4.742 ( 1.054 0.000 -0.327) 1.104 4.759 ( 1.283 0.000 0.361) 1.333 5.118 ( -7.541 0.000 0.013) 7.541 5.127 ( -7.997 0.000 0.352) 8.005 5.492 ( 2.149 0.000 0.067) 2.150 5.505 ( 1.739 0.000 -0.010) 1.739 5.541 ( 7.853 0.000 0.097) 7.854 5.556 ( 6.932 0.000 0.048) 6.932 5.611 ( 0.738 0.000 -1.118) 1.339 5.615 ( -1.164 0.000 0.517) 1.273 5.930 ( -1.470 0.000 0.062) 1.471 5.944 ( -0.801 0.000 -0.003) 0.801 6.135 ( -1.980 0.000 0.623) 2.076 6.178 ( -0.598 0.000 -0.710) 0.928 6.224 ( -0.071 0.000 0.260) 0.270 6.255 ( 0.524 0.000 0.441) 0.685 6.694 ( 0.148 0.000 0.769) 0.783 6.711 ( 1.812 0.000 -0.987) 2.063 6.713 ( 0.379 0.000 -0.341) 0.510 6.728 ( 1.902 0.000 1.150) 2.222 14.716 ( 0.078 0.000 0.195) 0.210 14.727 ( 0.623 0.000 -0.163) 0.644 14.834 ( -2.319 0.000 -0.356) 2.347 14.859 ( -2.119 0.000 0.253) 2.134 15.037 ( 0.094 0.000 0.455) 0.465 15.054 ( -0.011 0.000 -0.361) 0.361 15.171 ( 3.120 0.000 0.744) 3.207 15.178 ( 3.526 0.000 -0.865) 3.631 15.380 ( -2.936 0.000 -0.096) 2.937 15.409 ( -2.554 0.000 0.809) 2.679 15.477 ( -0.869 0.000 -1.248) 1.521 15.486 ( -1.607 0.000 0.657) 1.737 15.571 ( 2.407 0.000 -0.747) 2.520 15.585 ( 1.853 0.000 0.568) 1.938 15.882 ( 1.062 0.000 -0.548) 1.195 15.906 ( 1.281 0.000 0.605) 1.417 16.166 ( -0.081 0.000 -0.390) 0.399 16.166 ( -0.158 0.000 0.753) 0.770 16.268 ( -2.467 0.000 -1.932) 3.134 16.285 ( -2.828 0.000 1.991) 3.459 17.519 ( 1.017 0.000 0.088) 1.021 17.521 ( 1.310 0.000 0.004) 1.310 17.720 ( 0.026 0.000 0.306) 0.307 17.735 ( 0.573 0.000 0.667) 0.879 17.820 ( 0.636 0.000 -0.219) 0.673 17.836 ( 0.531 0.000 0.210) 0.571 17.959 ( 1.394 0.000 1.576) 2.104 17.981 ( 2.044 0.000 0.083) 2.046 18.040 ( 0.674 0.000 0.162) 0.693 18.054 ( 1.546 0.000 -1.522) 2.169 18.143 ( -1.507 0.000 -1.525) 2.144 18.161 ( -1.681 0.000 0.372) 1.722 18.484 ( 0.946 0.000 0.440) 1.043 18.510 ( -0.736 0.000 1.489) 1.661 18.549 ( 1.784 0.000 -0.979) 2.035 18.605 ( 0.668 0.000 -0.073) 0.672 18.681 ( 2.821 0.000 -1.302) 3.107 18.691 ( 0.579 0.000 1.249) 1.376 18.992 ( -6.849 0.000 0.056) 6.849 18.993 ( -8.994 0.000 -2.965) 9.470 ======================= Grid point 73 (35/44) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 8.794 0.000 -6.684) 11.046 0.604 ( 7.352 0.000 -2.639) 7.812 0.757 ( 4.878 0.000 4.730) 6.795 0.785 ( -6.128 0.000 3.830) 7.227 0.861 ( -4.417 0.000 5.156) 6.790 0.870 ( 6.664 0.000 7.261) 9.855 0.964 ( -2.230 0.000 -5.683) 6.105 1.002 ( 0.955 0.000 -4.243) 4.350 1.079 ( 5.942 0.000 -4.058) 7.196 1.100 ( -0.974 0.000 3.210) 3.355 1.182 ( -0.581 0.000 -3.702) 3.747 1.207 ( 4.793 0.000 -5.999) 7.679 1.242 ( -0.265 0.000 -0.795) 0.838 1.269 ( 0.582 0.000 1.806) 1.897 1.313 ( -2.432 0.000 0.819) 2.566 1.323 ( -2.237 0.000 0.604) 2.317 1.364 ( 4.478 0.000 -4.618) 6.433 1.432 ( 0.436 0.000 2.589) 2.625 1.471 ( 0.476 0.000 2.776) 2.816 1.497 ( 4.001 0.000 0.632) 4.050 1.530 ( -0.756 0.000 -2.064) 2.198 1.540 ( -1.128 0.000 1.095) 1.572 1.545 ( 0.289 0.000 -0.005) 0.289 1.558 ( -1.024 0.000 -1.542) 1.851 1.634 ( 3.989 0.000 1.055) 4.126 1.674 ( -0.641 0.000 4.397) 4.444 1.769 ( -2.967 0.000 -0.818) 3.078 1.779 ( -1.856 0.000 -1.206) 2.214 1.815 ( -0.190 0.000 1.527) 1.539 1.854 ( 0.001 0.000 3.493) 3.493 1.873 ( -2.011 0.000 0.217) 2.023 1.922 ( -3.768 0.000 4.090) 5.561 1.973 ( 1.315 0.000 -0.260) 1.340 1.973 ( 0.883 0.000 0.111) 0.890 2.009 ( 1.137 0.000 1.220) 1.667 2.030 ( -1.146 0.000 0.522) 1.259 2.035 ( -0.271 0.000 -1.512) 1.536 2.124 ( -7.124 0.000 -3.777) 8.064 2.178 ( 0.462 0.000 -0.854) 0.971 2.198 ( -2.274 0.000 -0.169) 2.280 2.233 ( 4.514 0.000 0.116) 4.515 2.253 ( 2.406 0.000 1.487) 2.829 2.360 ( -0.675 0.000 0.523) 0.854 2.362 ( -2.110 0.000 -2.508) 3.277 2.415 ( -1.468 0.000 -2.380) 2.796 2.465 ( -6.985 0.000 0.211) 6.988 2.568 ( -0.680 0.000 3.339) 3.407 2.597 ( 1.188 0.000 -0.833) 1.451 2.630 ( 3.941 0.000 -0.187) 3.946 2.647 ( -2.682 0.000 -0.983) 2.856 2.711 ( -4.617 0.000 -1.446) 4.838 2.714 ( -2.481 0.000 1.017) 2.682 2.779 ( 2.112 0.000 1.941) 2.868 2.807 ( 0.873 0.000 -3.472) 3.580 2.937 ( -1.254 0.000 1.197) 1.734 2.957 ( -2.134 0.000 -1.350) 2.525 3.090 ( 3.696 0.000 -1.237) 3.898 3.127 ( -0.099 0.000 2.093) 2.095 3.172 ( -0.268 0.000 -0.092) 0.283 3.175 ( -0.349 0.000 0.059) 0.354 3.289 ( 2.178 0.000 0.103) 2.181 3.316 ( 0.856 0.000 0.282) 0.901 3.382 ( 0.750 0.000 1.550) 1.722 3.383 ( 0.590 0.000 -1.176) 1.316 3.661 ( 2.958 0.000 -0.046) 2.958 3.662 ( 3.149 0.000 0.326) 3.166 3.683 ( 0.402 0.000 0.059) 0.406 3.686 ( -0.263 0.000 0.323) 0.416 3.707 ( -0.498 0.000 0.026) 0.498 3.708 ( -0.262 0.000 -0.979) 1.013 3.756 ( 1.003 0.000 0.133) 1.012 3.759 ( 0.992 0.000 -0.169) 1.006 3.807 ( -0.452 0.000 0.834) 0.949 3.831 ( -1.739 0.000 -0.691) 1.872 3.876 ( 2.670 0.000 -0.935) 2.829 3.878 ( 0.694 0.000 1.157) 1.350 3.933 ( -2.785 0.000 -0.280) 2.799 3.949 ( -0.094 0.000 0.037) 0.101 3.971 ( -4.629 0.000 0.017) 4.629 4.009 ( -4.868 0.000 -0.287) 4.877 4.276 ( 4.446 0.000 0.528) 4.477 4.282 ( 4.429 0.000 -0.476) 4.454 4.344 ( -0.878 0.000 -0.395) 0.963 4.345 ( -0.793 0.000 0.387) 0.883 4.799 ( 4.654 0.000 -0.034) 4.654 4.812 ( 3.918 0.000 -0.031) 3.918 4.970 ( -7.252 0.000 0.292) 7.258 4.971 ( -6.710 0.000 -0.072) 6.711 5.527 ( 1.545 0.000 0.437) 1.605 5.539 ( 1.478 0.000 -0.430) 1.539 5.572 ( -0.828 0.000 -0.179) 0.847 5.587 ( -1.559 0.000 -0.069) 1.560 5.717 ( 8.648 0.000 0.476) 8.661 5.740 ( 8.352 0.000 -0.401) 8.362 5.862 ( -5.629 0.000 -0.135) 5.630 5.880 ( -5.748 0.000 0.180) 5.751 6.133 ( 1.250 0.000 0.179) 1.262 6.160 ( -1.093 0.000 0.002) 1.093 6.229 ( 0.976 0.000 -1.016) 1.409 6.250 ( -1.364 0.000 1.060) 1.728 6.702 ( 0.232 0.000 0.788) 0.822 6.711 ( -0.164 0.000 -0.782) 0.799 6.740 ( 1.586 0.000 -0.854) 1.802 6.755 ( -0.277 0.000 1.426) 1.452 14.726 ( 0.774 0.000 0.444) 0.892 14.738 ( 0.334 0.000 -0.527) 0.624 14.795 ( -0.990 0.000 0.184) 1.007 14.812 ( -2.166 0.000 -0.127) 2.170 15.051 ( 0.528 0.000 0.658) 0.844 15.056 ( 0.302 0.000 -0.571) 0.646 15.229 ( 1.804 0.000 1.107) 2.117 15.234 ( 2.214 0.000 -1.280) 2.558 15.338 ( -0.778 0.000 -0.011) 0.778 15.359 ( -2.557 0.000 0.530) 2.611 15.456 ( -0.070 0.000 -1.888) 1.889 15.460 ( -1.464 0.000 1.599) 2.168 15.606 ( 1.329 0.000 -0.535) 1.433 15.612 ( 0.481 0.000 0.426) 0.643 15.906 ( 1.128 0.000 0.524) 1.244 15.921 ( 0.092 0.000 -0.481) 0.490 16.177 ( 1.082 0.000 -0.045) 1.083 16.178 ( 1.614 0.000 -0.108) 1.617 16.215 ( -1.848 0.000 -0.788) 2.009 16.232 ( -3.229 0.000 1.154) 3.429 17.540 ( 0.831 0.000 0.114) 0.839 17.543 ( 0.624 0.000 -0.055) 0.626 17.714 ( -0.634 0.000 1.011) 1.194 17.721 ( -0.842 0.000 -0.947) 1.267 17.842 ( 0.456 0.000 1.279) 1.358 17.847 ( 0.587 0.000 -0.982) 1.144 18.006 ( 1.148 0.000 3.132) 3.336 18.016 ( 1.222 0.000 -0.643) 1.380 18.064 ( 1.466 0.000 0.643) 1.601 18.080 ( 2.544 0.000 -3.062) 3.981 18.102 ( -1.861 0.000 -0.927) 2.079 18.120 ( -2.780 0.000 1.524) 3.170 18.519 ( 1.882 0.000 -0.748) 2.025 18.520 ( 0.410 0.000 2.492) 2.526 18.571 ( 0.842 0.000 -0.844) 1.192 18.590 ( -1.527 0.000 0.210) 1.541 18.715 ( 1.403 0.000 2.192) 2.603 18.754 ( 4.177 0.000 -1.618) 4.480 18.810 ( -4.652 0.000 -5.914) 7.525 18.865 ( -6.462 0.000 2.003) 6.765 ======================= Grid point 76 (36/44) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -1.363 8.284 -8.512) 11.956 0.473 ( 1.363 8.284 8.512) 11.956 0.548 ( 0.104 10.633 -8.665) 13.717 0.548 ( -0.104 10.633 8.665) 13.717 0.894 ( 0.895 0.826 -7.506) 7.604 0.894 ( -0.895 0.826 7.506) 7.604 0.977 ( -1.496 5.380 -7.857) 9.639 0.977 ( 1.496 5.380 7.857) 9.639 1.166 ( -1.657 0.722 -1.674) 2.464 1.166 ( 1.657 0.722 1.674) 2.464 1.200 ( 2.848 2.687 -1.163) 4.084 1.200 ( -2.848 2.687 1.163) 4.084 1.217 ( -5.434 1.982 -1.293) 5.927 1.217 ( 5.434 1.982 1.293) 5.927 1.287 ( 0.063 -0.245 -2.248) 2.262 1.287 ( -0.063 -0.245 2.248) 2.262 1.409 ( -0.370 2.642 -1.437) 3.030 1.409 ( 0.370 2.642 1.437) 3.030 1.461 ( 0.230 -0.790 -3.470) 3.567 1.461 ( -0.230 -0.790 3.470) 3.567 1.507 ( 0.273 -0.048 -1.749) 1.770 1.507 ( -0.273 -0.048 1.749) 1.770 1.596 ( -0.502 0.268 -1.720) 1.812 1.596 ( 0.502 0.268 1.720) 1.812 1.635 ( 1.533 -0.601 -3.350) 3.733 1.635 ( -1.533 -0.601 3.350) 3.733 1.779 ( -1.475 -3.289 -0.579) 3.651 1.779 ( 1.475 -3.289 0.579) 3.651 1.831 ( 0.251 -0.909 -2.569) 2.736 1.831 ( -0.251 -0.909 2.569) 2.736 1.869 ( 0.417 1.499 -2.314) 2.788 1.869 ( -0.417 1.499 2.314) 2.788 1.959 ( 0.394 -1.084 -1.225) 1.683 1.959 ( -0.394 -1.084 1.225) 1.683 2.034 ( -1.140 -2.601 -3.670) 4.641 2.034 ( 1.140 -2.601 3.670) 4.641 2.116 ( -0.579 -5.234 -0.855) 5.335 2.116 ( 0.579 -5.234 0.855) 5.335 2.194 ( -1.223 -1.245 -2.001) 2.655 2.194 ( 1.223 -1.245 2.001) 2.655 2.291 ( -0.213 -2.835 -1.817) 3.374 2.291 ( 0.213 -2.835 1.817) 3.374 2.416 ( 2.522 -2.763 -1.072) 3.892 2.416 ( -2.522 -2.763 1.072) 3.892 2.491 ( 0.258 -0.304 -0.885) 0.971 2.491 ( -0.258 -0.304 0.885) 0.971 2.577 ( 0.790 -2.976 -1.856) 3.595 2.577 ( -0.790 -2.976 1.856) 3.595 2.681 ( 0.739 0.609 -1.054) 1.424 2.681 ( -0.739 0.609 1.054) 1.424 2.754 ( -0.769 2.326 -2.339) 3.387 2.754 ( 0.769 2.326 2.339) 3.387 2.832 ( -2.297 -1.743 -1.776) 3.387 2.832 ( 2.297 -1.743 1.776) 3.387 2.972 ( -3.313 1.116 -0.853) 3.599 2.972 ( 3.313 1.116 0.853) 3.599 3.088 ( -0.086 -0.709 -0.747) 1.034 3.088 ( 0.086 -0.709 0.747) 1.034 3.140 ( 3.877 1.002 -1.702) 4.351 3.140 ( -3.877 1.002 1.702) 4.351 3.300 ( -2.695 3.326 -0.264) 4.289 3.300 ( 2.695 3.326 0.264) 4.289 3.358 ( -3.260 2.323 -0.720) 4.067 3.358 ( 3.260 2.323 0.720) 4.067 3.547 ( 0.220 0.555 -0.487) 0.771 3.547 ( -0.220 0.555 0.487) 0.771 3.691 ( 0.622 -1.326 -0.504) 1.549 3.691 ( -0.622 -1.326 0.504) 1.549 3.700 ( -0.355 0.522 -0.264) 0.684 3.700 ( 0.355 0.522 0.264) 0.684 3.741 ( -0.052 2.026 -0.777) 2.170 3.741 ( 0.052 2.026 0.777) 2.170 3.801 ( 0.050 -1.135 -0.198) 1.153 3.801 ( -0.050 -1.135 0.198) 1.153 3.894 ( -1.811 0.856 -0.924) 2.206 3.894 ( 1.811 0.856 0.924) 2.206 3.981 ( -1.321 -5.484 -0.394) 5.654 3.981 ( 1.321 -5.484 0.394) 5.654 4.085 ( -1.273 -2.739 -0.254) 3.031 4.085 ( 1.273 -2.739 0.254) 3.031 4.258 ( -1.982 5.461 -0.341) 5.819 4.258 ( 1.982 5.461 0.341) 5.819 4.291 ( -1.418 5.101 0.094) 5.295 4.291 ( 1.418 5.101 -0.094) 5.295 4.719 ( -0.258 -2.012 -0.593) 2.114 4.719 ( 0.258 -2.012 0.593) 2.114 5.219 ( -0.675 -1.109 -0.211) 1.315 5.219 ( 0.675 -1.109 0.211) 1.315 5.430 ( -0.842 -0.146 -0.632) 1.063 5.430 ( 0.842 -0.146 0.632) 1.063 5.488 ( -0.407 0.225 -0.308) 0.558 5.488 ( 0.407 0.225 0.308) 0.558 5.629 ( 0.012 0.885 -0.805) 1.196 5.629 ( -0.012 0.885 0.805) 1.196 5.942 ( -0.279 0.057 -0.029) 0.286 5.942 ( 0.279 0.057 0.029) 0.286 6.165 ( -1.009 -1.025 0.283) 1.466 6.165 ( 1.009 -1.025 -0.283) 1.466 6.221 ( -0.006 -1.385 -0.697) 1.551 6.221 ( 0.006 -1.385 0.697) 1.551 6.689 ( -0.282 0.158 -0.128) 0.347 6.689 ( 0.282 0.158 0.128) 0.347 6.709 ( -0.201 0.148 -0.208) 0.325 6.709 ( 0.201 0.148 0.208) 0.325 14.721 ( -0.251 0.394 -0.065) 0.472 14.721 ( 0.251 0.394 0.065) 0.472 14.862 ( -0.766 -0.893 -0.665) 1.351 14.862 ( 0.766 -0.893 0.665) 1.351 15.064 ( -0.130 1.234 -0.133) 1.248 15.064 ( 0.130 1.234 0.133) 1.248 15.141 ( 0.338 0.810 -0.686) 1.114 15.141 ( -0.338 0.810 0.686) 1.114 15.435 ( -0.078 0.582 -0.218) 0.627 15.435 ( 0.078 0.582 0.218) 0.627 15.491 ( -0.659 -0.641 -0.391) 0.999 15.491 ( 0.659 -0.641 0.391) 0.999 15.551 ( -0.540 0.432 -0.193) 0.718 15.551 ( 0.540 0.432 0.193) 0.718 15.860 ( -0.610 -1.989 -1.137) 2.371 15.860 ( 0.610 -1.989 1.137) 2.371 16.152 ( -0.021 -1.337 -0.912) 1.619 16.152 ( 0.021 -1.337 0.912) 1.619 16.275 ( 0.238 -2.841 -2.083) 3.531 16.275 ( -0.238 -2.841 2.083) 3.531 17.538 ( 0.043 2.503 -1.213) 2.781 17.538 ( -0.043 2.503 1.213) 2.781 17.714 ( -0.774 -0.280 -0.590) 1.012 17.714 ( 0.774 -0.280 0.590) 1.012 17.843 ( -0.698 1.310 -1.463) 2.084 17.843 ( 0.698 1.310 1.463) 2.084 17.938 ( -0.720 -0.760 -0.483) 1.153 17.938 ( 0.720 -0.760 0.483) 1.153 18.046 ( 0.596 1.905 -1.069) 2.264 18.046 ( -0.596 1.905 1.069) 2.264 18.226 ( -0.725 4.244 -1.365) 4.517 18.226 ( 0.725 4.244 1.365) 4.517 18.496 ( -1.420 0.244 0.147) 1.449 18.496 ( 1.420 0.244 -0.147) 1.449 18.559 ( -2.169 -0.139 -0.257) 2.188 18.559 ( 2.169 -0.139 0.257) 2.188 18.671 ( -0.368 -0.257 -1.049) 1.141 18.671 ( 0.368 -0.257 1.049) 1.141 19.064 ( -0.804 -2.228 -1.585) 2.850 19.064 ( 0.804 -2.228 1.585) 2.850 ======================= Grid point 78 (37/44) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 5.399 4.799 -7.144) 10.159 0.552 ( 5.153 6.172 0.259) 8.045 0.613 ( 7.475 5.370 -1.142) 9.274 0.711 ( 8.064 7.735 8.495) 14.036 0.885 ( -1.872 0.833 0.777) 2.191 0.922 ( 2.066 2.009 -0.601) 2.944 0.966 ( 2.599 4.504 -4.926) 7.163 1.022 ( -1.935 1.333 2.244) 3.250 1.085 ( -3.151 -0.015 -1.375) 3.438 1.125 ( -0.039 3.609 0.502) 3.644 1.186 ( 0.041 2.054 -2.276) 3.066 1.194 ( 0.824 -0.011 1.416) 1.639 1.250 ( 2.833 1.004 -1.546) 3.380 1.266 ( -0.771 2.710 -2.833) 3.995 1.303 ( 0.364 -1.961 2.200) 2.970 1.367 ( 6.283 2.031 0.989) 6.677 1.392 ( -1.803 0.599 -2.903) 3.469 1.402 ( -1.041 1.567 -4.013) 4.433 1.441 ( 2.610 2.451 -1.593) 3.919 1.480 ( -0.859 0.494 4.152) 4.269 1.506 ( 0.787 -1.228 0.932) 1.730 1.539 ( 1.770 3.593 2.327) 4.632 1.558 ( -0.185 0.715 -1.709) 1.862 1.603 ( 0.156 0.269 -1.063) 1.108 1.636 ( -1.355 0.087 -0.300) 1.391 1.659 ( 0.880 0.085 3.382) 3.496 1.749 ( -0.218 -4.245 0.137) 4.253 1.806 ( -0.488 -1.958 -0.097) 2.020 1.819 ( -0.109 -1.810 1.563) 2.394 1.836 ( -2.364 0.179 1.322) 2.715 1.854 ( -0.304 0.944 1.165) 1.530 1.883 ( 2.293 -1.188 1.586) 3.030 1.922 ( -2.874 -1.459 -0.554) 3.270 1.972 ( 0.804 -1.815 -0.054) 1.986 1.993 ( 0.326 -1.173 -0.889) 1.508 2.045 ( -1.199 -0.078 3.208) 3.426 2.090 ( -1.260 -4.325 -0.605) 4.546 2.135 ( -1.467 -5.290 1.145) 5.607 2.182 ( -0.736 -2.013 0.284) 2.162 2.205 ( -3.208 -1.392 -0.496) 3.532 2.241 ( -0.519 -0.973 0.260) 1.133 2.280 ( -1.717 -1.722 0.983) 2.622 2.366 ( -1.130 -0.928 -0.000) 1.462 2.421 ( -0.621 -0.314 -0.448) 0.827 2.431 ( -5.049 0.690 -3.715) 6.306 2.536 ( 4.235 -1.163 -0.243) 4.398 2.552 ( -2.701 -1.444 1.190) 3.286 2.586 ( -1.596 -4.420 -2.572) 5.357 2.643 ( -2.787 -0.663 0.009) 2.865 2.666 ( -3.891 1.446 -1.828) 4.536 2.722 ( 0.127 -2.064 -1.535) 2.576 2.733 ( -1.225 -1.423 0.360) 1.912 2.803 ( 0.436 4.386 0.106) 4.409 2.851 ( -0.436 -1.383 1.519) 2.100 2.936 ( -3.588 -0.504 -0.666) 3.684 3.005 ( 0.365 1.499 -0.016) 1.543 3.057 ( 2.107 -0.235 0.015) 2.120 3.092 ( 0.935 -1.359 1.205) 2.043 3.175 ( -1.038 -0.903 -0.821) 1.602 3.220 ( 4.842 1.086 0.898) 5.043 3.244 ( -0.597 1.517 0.785) 1.809 3.265 ( -1.464 3.766 -0.601) 4.085 3.374 ( 1.952 2.824 0.631) 3.490 3.412 ( 0.427 1.502 -0.384) 1.608 3.575 ( 2.614 -0.015 0.527) 2.667 3.579 ( 2.696 -1.002 -0.502) 2.920 3.687 ( -0.462 -0.778 0.277) 0.946 3.692 ( 0.400 0.198 -0.122) 0.462 3.709 ( 1.309 -0.873 -0.228) 1.590 3.713 ( 0.216 0.279 0.372) 0.513 3.730 ( 0.192 1.264 -0.045) 1.279 3.756 ( 0.616 1.875 -0.175) 1.981 3.796 ( -0.291 -1.170 0.076) 1.208 3.806 ( 0.179 -1.695 -0.228) 1.719 3.867 ( -0.163 1.578 -0.425) 1.642 3.906 ( -1.026 1.369 0.131) 1.716 3.978 ( 0.158 -2.233 0.102) 2.241 3.996 ( -1.147 -2.071 -0.239) 2.379 4.061 ( 0.371 0.947 0.266) 1.051 4.104 ( 0.493 -1.310 -0.369) 1.448 4.232 ( -0.189 5.533 0.096) 5.537 4.258 ( -0.711 4.679 0.035) 4.733 4.314 ( 2.340 1.092 0.192) 2.590 4.327 ( 1.768 1.236 -0.307) 2.179 4.727 ( 1.695 -1.334 -0.287) 2.176 4.740 ( 1.773 -1.607 0.370) 2.421 5.113 ( -7.744 -0.823 0.094) 7.788 5.126 ( -8.020 -0.445 -0.022) 8.032 5.486 ( 2.165 -1.950 0.240) 2.923 5.493 ( 0.929 -0.341 0.021) 0.990 5.504 ( 4.984 -2.387 -0.320) 5.536 5.537 ( 3.601 -1.451 0.106) 3.884 5.630 ( 1.560 2.170 -0.155) 2.677 5.654 ( 3.344 2.899 -0.252) 4.433 5.930 ( -1.461 -0.014 0.012) 1.461 5.942 ( -0.969 -0.198 -0.024) 0.989 6.129 ( -1.442 -0.555 0.533) 1.635 6.164 ( -0.665 -1.250 -0.611) 1.542 6.216 ( 0.302 -0.867 0.247) 0.951 6.244 ( 0.533 -1.082 0.211) 1.225 6.690 ( -0.047 -0.384 0.505) 0.636 6.707 ( 1.074 -0.394 -0.773) 1.381 6.713 ( 0.513 -0.008 0.024) 0.514 6.726 ( 1.269 -0.323 0.630) 1.453 14.715 ( -0.154 0.173 0.105) 0.254 14.730 ( 0.597 0.282 -0.040) 0.661 14.825 ( -2.326 -0.819 -0.376) 2.494 14.853 ( -1.838 -0.704 0.314) 1.993 15.054 ( 0.077 1.637 0.454) 1.701 15.067 ( 0.249 1.309 -0.399) 1.391 15.177 ( 2.892 0.495 0.128) 2.937 15.181 ( 3.140 0.340 -0.169) 3.163 15.391 ( -2.844 0.995 -0.327) 3.031 15.409 ( -2.461 -0.021 0.778) 2.581 15.489 ( 0.052 0.881 -0.721) 1.140 15.490 ( -1.007 0.734 0.316) 1.286 15.565 ( 1.757 -0.434 -0.490) 1.875 15.577 ( 1.460 -0.701 0.413) 1.671 15.858 ( 0.876 -2.345 -0.472) 2.547 15.886 ( 1.163 -1.996 0.526) 2.369 16.143 ( -0.005 -1.328 -0.300) 1.361 16.163 ( 0.395 -0.893 0.446) 1.073 16.246 ( -1.818 -1.977 -1.247) 2.961 16.259 ( -2.275 -2.441 1.409) 3.622 17.533 ( 0.411 1.728 -0.112) 1.780 17.547 ( 0.301 1.744 0.339) 1.802 17.699 ( -0.527 -1.415 -0.128) 1.515 17.725 ( -1.092 -1.366 0.708) 1.886 17.833 ( 0.777 1.222 -0.379) 1.497 17.879 ( 1.371 3.207 1.137) 3.669 17.948 ( 1.809 -0.929 0.497) 2.094 17.976 ( 2.620 0.058 0.241) 2.631 18.044 ( 0.368 1.021 0.555) 1.219 18.064 ( 1.680 2.058 -1.655) 3.130 18.183 ( -2.594 3.161 -1.005) 4.211 18.220 ( -2.106 4.285 0.530) 4.804 18.489 ( 0.912 0.373 0.371) 1.053 18.506 ( -0.257 -0.306 0.979) 1.057 18.557 ( 1.716 0.795 -1.148) 2.212 18.607 ( 1.362 0.040 0.206) 1.378 18.672 ( 1.576 -0.544 -1.184) 2.045 18.693 ( 1.525 -0.152 0.971) 1.815 18.960 ( -7.551 -1.134 -0.431) 7.648 19.009 ( -5.987 -0.456 -1.410) 6.168 ======================= Grid point 79 (38/44) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 9.578 1.559 -4.027) 10.506 0.649 ( 5.394 3.774 -5.247) 8.418 0.783 ( 3.337 2.241 5.325) 6.672 0.805 ( -2.589 1.805 1.443) 3.470 0.830 ( -5.235 -0.701 4.009) 6.631 0.907 ( 2.806 2.468 7.343) 8.239 0.971 ( -1.025 1.013 -4.179) 4.421 1.023 ( -0.968 1.289 -3.648) 3.989 1.081 ( 2.619 1.049 -1.887) 3.394 1.103 ( -0.763 -0.003 1.592) 1.766 1.203 ( 1.551 0.364 -3.439) 3.790 1.214 ( -0.683 -3.032 2.661) 4.091 1.221 ( 0.007 1.625 -1.897) 2.498 1.275 ( -4.081 1.458 -2.682) 5.096 1.341 ( 5.623 5.081 -0.801) 7.621 1.362 ( 4.973 0.717 -3.023) 5.864 1.400 ( -0.701 1.830 1.287) 2.345 1.431 ( -1.035 -1.946 2.569) 3.385 1.449 ( 0.562 0.326 -2.577) 2.657 1.495 ( -1.978 -0.189 -1.876) 2.733 1.514 ( 1.555 0.089 1.043) 1.875 1.557 ( -1.903 1.251 0.672) 2.375 1.585 ( 1.047 2.936 -0.090) 3.118 1.594 ( 1.029 3.132 0.560) 3.344 1.663 ( 3.720 2.322 1.020) 4.502 1.686 ( 0.379 0.443 2.103) 2.182 1.743 ( -1.287 -1.801 0.438) 2.256 1.787 ( -3.687 0.333 -0.315) 3.715 1.807 ( 1.421 -0.017 1.572) 2.119 1.834 ( 2.144 -2.329 -0.485) 3.202 1.861 ( -0.497 -1.326 1.424) 2.008 1.919 ( -0.855 -1.682 1.834) 2.631 1.950 ( 2.459 -0.053 2.344) 3.398 1.980 ( -1.543 0.424 0.387) 1.646 1.985 ( 0.443 -2.734 0.526) 2.819 2.020 ( 0.002 1.642 -0.090) 1.644 2.035 ( -0.777 -0.799 0.792) 1.368 2.131 ( -1.434 -1.448 -0.793) 2.187 2.153 ( -1.100 -2.553 0.133) 2.783 2.166 ( -4.700 -0.551 -2.244) 5.238 2.216 ( 3.257 -1.629 -0.593) 3.689 2.267 ( 0.979 -0.331 0.226) 1.057 2.316 ( -4.449 -3.541 -1.316) 5.836 2.351 ( -4.087 0.327 0.816) 4.181 2.389 ( -0.275 -1.532 0.291) 1.583 2.463 ( -5.774 -0.666 -3.475) 6.772 2.535 ( 3.427 -1.690 1.962) 4.296 2.608 ( -1.706 -0.510 0.860) 1.978 2.615 ( 2.661 -1.330 -1.127) 3.181 2.651 ( 1.969 -0.784 0.992) 2.340 2.677 ( -3.598 -1.197 -1.385) 4.037 2.709 ( -2.465 -1.283 -0.518) 2.827 2.797 ( -0.752 0.888 -0.114) 1.169 2.812 ( -2.229 0.378 -0.415) 2.299 2.920 ( 2.969 -0.325 0.443) 3.020 2.997 ( -3.392 1.129 -0.204) 3.581 3.097 ( 3.043 1.186 -1.490) 3.590 3.140 ( -1.703 0.839 1.937) 2.712 3.152 ( 4.321 -0.061 -0.189) 4.325 3.220 ( -2.297 2.055 -0.151) 3.086 3.285 ( 2.433 -0.031 -0.173) 2.439 3.305 ( 1.744 -0.569 0.489) 1.898 3.387 ( -1.171 0.224 -0.047) 1.193 3.389 ( -0.852 0.241 0.110) 0.892 3.625 ( 2.099 -2.148 -0.790) 3.106 3.631 ( 1.750 -2.174 0.720) 2.883 3.680 ( -0.021 0.321 0.097) 0.336 3.693 ( -0.667 -1.666 0.143) 1.800 3.721 ( 1.097 1.406 -0.098) 1.786 3.741 ( 1.281 -0.031 0.151) 1.291 3.743 ( 0.693 0.512 -0.135) 0.872 3.750 ( -1.199 0.943 -0.090) 1.528 3.794 ( 0.627 -0.723 0.161) 0.970 3.816 ( 0.512 -0.717 -0.224) 0.909 3.850 ( -1.287 -0.388 0.135) 1.351 3.875 ( -2.172 -0.621 -0.282) 2.276 3.985 ( 1.444 4.533 0.136) 4.760 3.994 ( 1.666 4.076 -0.219) 4.409 4.054 ( -1.792 5.957 0.367) 6.232 4.071 ( -2.989 5.048 -0.393) 5.879 4.272 ( 3.415 -0.132 0.207) 3.424 4.286 ( 3.038 0.311 -0.124) 3.057 4.327 ( -1.360 -1.427 -0.052) 1.972 4.335 ( -1.177 -1.079 -0.019) 1.597 4.794 ( 5.020 -0.439 0.179) 5.043 4.803 ( 4.492 -0.800 -0.137) 4.564 4.961 ( -7.060 -1.020 0.002) 7.133 4.964 ( -7.610 -0.622 0.030) 7.635 5.513 ( 1.092 -1.367 0.301) 1.775 5.522 ( 1.238 -1.757 -0.250) 2.164 5.540 ( 0.177 -2.786 -0.039) 2.792 5.558 ( -0.812 -2.678 -0.152) 2.802 5.733 ( 7.336 1.609 0.357) 7.519 5.763 ( 6.681 1.902 -0.396) 6.958 5.866 ( -5.172 0.353 -0.134) 5.185 5.883 ( -4.994 0.253 0.183) 5.004 6.133 ( 1.286 0.112 0.077) 1.293 6.154 ( -0.499 -0.503 0.031) 0.710 6.222 ( 0.639 -0.654 -0.664) 1.130 6.239 ( -1.166 -0.936 0.672) 1.639 6.695 ( 0.285 -0.675 0.521) 0.899 6.705 ( -0.349 -0.583 -0.588) 0.898 6.733 ( 1.191 -0.687 -0.449) 1.446 6.744 ( -0.143 -1.014 0.876) 1.348 14.722 ( 0.719 -0.231 0.424) 0.866 14.739 ( -0.028 0.021 -0.678) 0.679 14.788 ( -0.656 -0.617 0.435) 1.000 14.811 ( -2.107 -0.320 -0.184) 2.139 15.067 ( 0.511 1.548 0.624) 1.745 15.072 ( 0.338 1.578 -0.567) 1.711 15.227 ( 1.739 -0.144 0.220) 1.758 15.232 ( 1.626 -0.276 -0.291) 1.675 15.350 ( -0.696 1.161 -0.207) 1.370 15.366 ( -2.080 0.666 0.461) 2.232 15.474 ( -0.240 1.828 -0.414) 1.889 15.479 ( -0.825 1.812 0.376) 2.026 15.593 ( 1.198 -1.243 -0.567) 1.817 15.599 ( 0.367 -1.284 0.414) 1.398 15.881 ( 1.186 -2.487 0.468) 2.795 15.898 ( -0.094 -2.325 -0.446) 2.369 16.157 ( 1.679 -1.295 -0.340) 2.148 16.177 ( 0.738 -0.692 0.382) 1.081 16.203 ( -1.866 -1.280 -0.263) 2.278 16.215 ( -2.375 -1.495 0.445) 2.841 17.549 ( 0.895 0.948 -0.052) 1.305 17.555 ( 0.226 1.031 0.101) 1.060 17.686 ( -0.273 -2.266 -0.477) 2.332 17.696 ( -1.584 -2.043 0.659) 2.668 17.859 ( 1.594 1.832 0.012) 2.428 17.885 ( -0.867 2.958 0.052) 3.083 17.997 ( 1.767 -0.445 1.809) 2.568 18.018 ( 0.722 0.628 -0.280) 0.997 18.068 ( 1.906 0.900 0.615) 2.195 18.100 ( 2.880 2.003 -1.891) 3.985 18.124 ( -2.392 2.032 -0.488) 3.176 18.166 ( -3.430 3.160 0.734) 4.721 18.515 ( 0.656 -0.208 2.390) 2.488 18.525 ( 1.364 0.286 -1.405) 1.979 18.579 ( 1.248 0.771 -0.618) 1.592 18.605 ( -1.168 1.029 0.257) 1.578 18.707 ( 2.414 -0.413 0.393) 2.480 18.754 ( 2.905 -0.138 -0.339) 2.928 18.813 ( -4.382 0.586 -1.782) 4.766 18.878 ( -6.110 0.570 -0.389) 6.148 ======================= Grid point 82 (39/44) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -1.173 10.915 -5.793) 12.413 0.667 ( 1.173 10.915 5.793) 12.413 0.735 ( -0.372 7.846 -9.538) 12.356 0.735 ( 0.372 7.846 9.538) 12.356 0.946 ( -0.470 4.343 -2.967) 5.280 0.946 ( 0.470 4.343 2.967) 5.280 1.068 ( -0.416 1.356 -0.931) 1.697 1.068 ( 0.416 1.356 0.931) 1.697 1.180 ( 2.971 1.124 -1.805) 3.653 1.180 ( -2.971 1.124 1.805) 3.653 1.229 ( -1.563 0.749 -1.406) 2.232 1.229 ( 1.563 0.749 1.406) 2.232 1.276 ( 0.433 2.455 -1.238) 2.784 1.276 ( -0.433 2.455 1.238) 2.784 1.323 ( -0.217 3.694 -4.096) 5.520 1.323 ( 0.217 3.694 4.096) 5.520 1.424 ( -2.166 -1.859 0.132) 2.858 1.424 ( 2.166 -1.859 -0.132) 2.858 1.457 ( -0.693 1.363 -4.038) 4.318 1.457 ( 0.693 1.363 4.038) 4.318 1.513 ( -2.078 1.583 -2.170) 3.396 1.513 ( 2.078 1.583 2.170) 3.396 1.614 ( -0.737 1.729 -0.253) 1.896 1.614 ( 0.737 1.729 0.253) 1.896 1.661 ( -0.982 2.466 -3.383) 4.299 1.661 ( 0.982 2.466 3.383) 4.299 1.719 ( -2.452 -2.086 -0.481) 3.255 1.719 ( 2.452 -2.086 0.481) 3.255 1.816 ( -0.488 -0.766 -1.754) 1.975 1.816 ( 0.488 -0.766 1.754) 1.975 1.887 ( -0.127 -0.407 -2.433) 2.470 1.887 ( 0.127 -0.407 2.433) 2.470 1.936 ( -1.539 -1.155 -0.453) 1.977 1.936 ( 1.539 -1.155 0.453) 1.977 1.979 ( -1.158 -1.812 -2.949) 3.650 1.979 ( 1.158 -1.812 2.949) 3.650 2.012 ( 1.699 -4.678 -1.356) 5.158 2.012 ( -1.699 -4.678 1.356) 5.158 2.159 ( -0.329 -2.523 -1.832) 3.135 2.159 ( 0.329 -2.523 1.832) 3.135 2.215 ( -0.488 -4.507 -1.503) 4.776 2.215 ( 0.488 -4.507 1.503) 4.776 2.323 ( -3.739 -7.273 -2.048) 8.430 2.323 ( 3.739 -7.273 2.048) 8.430 2.469 ( -1.087 -0.613 -0.909) 1.544 2.469 ( 1.087 -0.613 0.909) 1.544 2.545 ( -1.812 -0.035 -1.436) 2.312 2.545 ( 1.812 -0.035 1.436) 2.312 2.664 ( -0.490 -2.767 -1.201) 3.056 2.664 ( 0.490 -2.767 1.201) 3.056 2.746 ( -0.945 -0.759 -0.167) 1.224 2.746 ( 0.945 -0.759 0.167) 1.224 2.882 ( -2.121 3.100 -1.091) 3.912 2.882 ( 2.121 3.100 1.091) 3.912 2.974 ( -2.395 -0.193 -0.207) 2.412 2.974 ( 2.395 -0.193 0.207) 2.412 3.073 ( -0.343 0.536 -0.394) 0.748 3.073 ( 0.343 0.536 0.394) 0.748 3.156 ( 3.552 -0.071 -1.992) 4.073 3.156 ( -3.552 -0.071 1.992) 4.073 3.345 ( 0.441 1.705 -0.505) 1.832 3.345 ( -0.441 1.705 0.505) 1.832 3.421 ( -0.342 2.924 -0.663) 3.017 3.421 ( 0.342 2.924 0.663) 3.017 3.570 ( 0.018 1.440 -0.839) 1.667 3.570 ( -0.018 1.440 0.839) 1.667 3.646 ( -0.090 -2.502 -0.673) 2.593 3.646 ( 0.090 -2.502 0.673) 2.593 3.715 ( -0.078 1.382 -0.206) 1.399 3.715 ( 0.078 1.382 0.206) 1.399 3.764 ( -0.209 0.101 -0.125) 0.264 3.764 ( 0.209 0.101 0.125) 0.264 3.784 ( 0.056 -0.752 -0.336) 0.826 3.784 ( -0.056 -0.752 0.336) 0.826 3.910 ( -0.136 1.045 -0.353) 1.112 3.910 ( 0.136 1.045 0.353) 1.112 3.948 ( 0.594 1.505 -1.035) 1.921 3.948 ( -0.594 1.505 1.035) 1.921 4.036 ( -0.282 -2.430 -0.448) 2.487 4.036 ( 0.282 -2.430 0.448) 2.487 4.340 ( -0.018 2.445 -0.315) 2.466 4.340 ( 0.018 2.445 0.315) 2.466 4.370 ( -0.285 2.214 -0.160) 2.238 4.370 ( 0.285 2.214 0.160) 2.238 4.705 ( -0.028 2.140 -0.909) 2.325 4.705 ( 0.028 2.140 0.909) 2.325 5.149 ( -0.149 -6.111 -0.980) 6.191 5.149 ( 0.149 -6.111 0.980) 6.191 5.431 ( -0.432 0.342 -0.703) 0.894 5.431 ( 0.432 0.342 0.703) 0.894 5.494 ( -0.121 -0.256 -0.504) 0.578 5.494 ( 0.121 -0.256 0.504) 0.578 5.680 ( -0.608 4.826 -0.213) 4.869 5.680 ( 0.608 4.826 0.213) 4.869 5.939 ( 0.061 -0.576 -0.098) 0.588 5.939 ( -0.061 -0.576 0.098) 0.588 6.138 ( -1.560 -1.558 0.385) 2.238 6.138 ( 1.560 -1.558 -0.385) 2.238 6.180 ( -0.408 -2.663 -0.532) 2.746 6.180 ( 0.408 -2.663 0.532) 2.746 6.693 ( -0.001 0.188 -0.205) 0.278 6.693 ( 0.001 0.188 0.205) 0.278 6.710 ( -0.055 -0.064 -0.347) 0.358 6.710 ( 0.055 -0.064 0.347) 0.358 14.737 ( -0.092 1.200 -0.072) 1.206 14.737 ( 0.092 1.200 0.072) 1.206 14.838 ( -0.558 -1.526 -0.658) 1.753 14.838 ( 0.558 -1.526 0.658) 1.753 15.097 ( 0.397 2.042 -0.576) 2.158 15.097 ( -0.397 2.042 0.576) 2.158 15.159 ( -0.164 0.819 -0.862) 1.201 15.159 ( 0.164 0.819 0.862) 1.201 15.439 ( 0.409 -0.271 -0.249) 0.550 15.439 ( -0.409 -0.271 0.249) 0.550 15.478 ( -2.046 -0.681 -0.288) 2.175 15.478 ( 2.046 -0.681 0.288) 2.175 15.577 ( -0.436 2.431 -0.336) 2.492 15.577 ( 0.436 2.431 0.336) 2.492 15.806 ( -0.810 -3.525 -0.882) 3.722 15.806 ( 0.810 -3.525 0.882) 3.722 16.128 ( -0.222 -0.997 -0.757) 1.272 16.128 ( 0.222 -0.997 0.757) 1.272 16.214 ( 0.454 -3.041 -1.183) 3.294 16.214 ( -0.454 -3.041 1.183) 3.294 17.583 ( 0.309 1.933 -1.561) 2.504 17.583 ( -0.309 1.933 1.561) 2.504 17.692 ( -0.346 -1.814 -0.610) 1.945 17.692 ( 0.346 -1.814 0.610) 1.945 17.872 ( -0.546 1.685 -1.477) 2.307 17.872 ( 0.546 1.685 1.477) 2.307 17.938 ( -0.625 0.568 -0.276) 0.888 17.938 ( 0.625 0.568 0.276) 0.888 18.113 ( 0.321 4.450 -1.635) 4.751 18.113 ( -0.321 4.450 1.635) 4.751 18.292 ( -1.237 1.672 -1.575) 2.609 18.292 ( 1.237 1.672 1.575) 2.609 18.501 ( 0.455 0.274 -0.780) 0.943 18.501 ( -0.455 0.274 0.780) 0.943 18.562 ( -0.418 0.573 -0.797) 1.067 18.562 ( 0.418 0.573 0.797) 1.067 18.662 ( -0.225 -0.565 -0.982) 1.156 18.662 ( 0.225 -0.565 0.982) 1.156 19.019 ( -0.641 -2.132 -0.462) 2.273 19.019 ( 0.641 -2.132 0.462) 2.273 ======================= Grid point 84 (40/44) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.200 9.894 -4.803) 11.000 0.703 ( 1.777 8.827 0.527) 9.019 0.727 ( 3.519 6.085 -4.077) 8.126 0.841 ( 3.514 5.162 9.408) 11.292 0.934 ( -2.250 3.710 0.841) 4.419 0.975 ( 0.459 3.625 1.366) 3.901 1.013 ( -5.871 -0.929 -2.633) 6.501 1.058 ( 1.002 1.605 1.585) 2.468 1.129 ( -1.567 3.195 -0.573) 3.604 1.176 ( -2.868 -1.145 -0.839) 3.200 1.197 ( -2.991 1.090 -0.169) 3.188 1.217 ( -0.139 -0.879 -3.436) 3.549 1.232 ( -0.642 1.790 0.011) 1.901 1.298 ( 0.938 -0.098 -0.934) 1.328 1.346 ( 1.709 -0.417 -0.385) 1.801 1.366 ( 1.778 3.007 2.666) 4.395 1.405 ( -1.079 0.421 -0.314) 1.200 1.428 ( 0.867 -2.194 -2.502) 3.439 1.462 ( 1.150 1.325 -1.095) 2.068 1.475 ( 0.215 1.337 -1.679) 2.157 1.533 ( 3.254 3.120 0.018) 4.508 1.586 ( -0.868 -0.483 -3.500) 3.638 1.608 ( 4.196 3.551 1.125) 5.611 1.617 ( 0.413 3.261 0.580) 3.338 1.650 ( 1.627 1.531 2.046) 3.030 1.672 ( 1.077 1.719 -0.450) 2.078 1.716 ( 0.609 0.984 2.023) 2.330 1.789 ( 1.977 -1.143 -0.321) 2.306 1.799 ( 0.687 1.692 -0.096) 1.829 1.833 ( -2.995 -0.570 2.376) 3.865 1.850 ( -0.511 -2.094 -0.029) 2.156 1.871 ( -2.712 -0.930 -0.763) 2.967 1.901 ( 0.604 -1.229 0.186) 1.382 1.916 ( 0.425 -0.380 0.564) 0.802 1.976 ( -0.177 -1.326 0.305) 1.372 1.991 ( -0.048 -3.938 0.995) 4.062 2.036 ( 0.355 -3.799 0.727) 3.884 2.039 ( 1.839 -1.778 3.202) 4.098 2.147 ( -0.041 -2.031 0.700) 2.149 2.158 ( -2.715 -3.036 0.473) 4.100 2.200 ( -0.345 -4.107 0.117) 4.123 2.222 ( 0.141 -2.762 -0.216) 2.774 2.281 ( 1.600 -6.555 -0.120) 6.748 2.421 ( 2.948 -2.502 -0.269) 3.876 2.458 ( -2.252 -1.218 0.557) 2.620 2.468 ( 1.140 -1.384 -2.535) 3.105 2.499 ( -3.228 -1.686 -0.197) 3.647 2.569 ( 0.091 0.800 -0.401) 0.900 2.620 ( -5.038 -0.199 -0.174) 5.044 2.646 ( -1.950 -2.266 -0.955) 3.138 2.687 ( 0.068 -2.793 -0.360) 2.817 2.722 ( -2.330 1.017 -1.706) 3.062 2.838 ( -2.280 0.012 1.221) 2.586 2.898 ( -3.103 3.163 0.686) 4.484 2.931 ( -2.071 0.074 0.016) 2.072 3.011 ( -0.384 0.522 -1.230) 1.390 3.052 ( 3.558 0.039 -0.336) 3.574 3.086 ( 1.207 0.429 1.015) 1.635 3.160 ( 0.477 -1.076 1.248) 1.716 3.214 ( 2.797 -1.306 -1.514) 3.438 3.294 ( -1.394 3.240 0.984) 3.662 3.331 ( -2.113 2.508 -0.765) 3.368 3.415 ( -0.922 0.527 0.026) 1.062 3.428 ( -0.963 0.387 -0.030) 1.038 3.571 ( 0.642 -0.048 -0.474) 0.800 3.582 ( 0.894 0.702 0.736) 1.354 3.643 ( -0.128 -3.123 -0.471) 3.160 3.660 ( 0.564 -1.763 0.327) 1.880 3.720 ( 1.248 1.525 0.195) 1.980 3.735 ( 1.350 1.598 -0.157) 2.098 3.767 ( 0.481 1.086 -0.030) 1.188 3.779 ( 0.456 1.810 0.406) 1.910 3.787 ( 0.581 -0.267 0.221) 0.676 3.799 ( 0.603 1.449 -0.500) 1.647 3.895 ( -1.466 0.228 -0.576) 1.592 3.909 ( -1.136 -0.222 0.188) 1.172 3.976 ( 3.718 0.770 -0.402) 3.818 3.987 ( 3.929 1.441 0.526) 4.218 4.078 ( 4.506 0.198 -0.296) 4.520 4.085 ( 4.201 -0.045 0.182) 4.205 4.321 ( -2.179 0.896 0.319) 2.378 4.334 ( -1.261 3.477 0.005) 3.699 4.338 ( -2.294 0.106 -0.318) 2.318 4.357 ( -1.279 3.193 -0.086) 3.441 4.717 ( 2.004 1.430 -0.383) 2.492 4.728 ( 1.999 1.643 0.472) 2.630 5.068 ( -6.440 -4.050 -0.078) 7.608 5.087 ( -6.424 -4.013 -0.022) 7.574 5.442 ( 1.420 -1.797 -0.141) 2.294 5.457 ( 1.271 -1.604 0.255) 2.062 5.488 ( -0.171 -0.941 0.023) 0.957 5.504 ( 0.278 -1.978 -0.149) 2.003 5.697 ( 2.663 4.716 -0.018) 5.416 5.726 ( 3.662 4.519 -0.177) 5.820 5.926 ( -1.509 -0.630 0.046) 1.636 5.933 ( -1.257 -0.976 -0.044) 1.592 6.119 ( 0.056 -0.383 0.361) 0.530 6.139 ( -0.143 -1.067 -0.448) 1.166 6.189 ( 1.344 -1.876 0.266) 2.323 6.214 ( 1.268 -1.986 -0.054) 2.357 6.683 ( -0.544 -0.185 0.175) 0.601 6.699 ( 0.178 -0.381 -0.365) 0.556 6.711 ( 0.102 -0.209 0.056) 0.239 6.715 ( 0.293 -0.678 0.252) 0.781 14.726 ( -0.694 0.877 0.142) 1.127 14.741 ( 0.199 0.829 0.026) 0.853 14.805 ( -2.146 -1.210 -0.460) 2.506 14.831 ( -1.443 -1.522 0.356) 2.127 15.095 ( 0.150 2.435 0.593) 2.511 15.103 ( 0.739 2.231 -0.598) 2.426 15.182 ( 2.478 0.053 -0.941) 2.651 15.192 ( 1.974 0.454 1.012) 2.264 15.409 ( -1.709 0.275 0.663) 1.854 15.412 ( -2.155 1.056 -0.745) 2.513 15.485 ( 1.342 -0.950 0.776) 1.818 15.516 ( 1.421 0.014 -0.887) 1.675 15.565 ( -0.304 1.699 0.453) 1.785 15.584 ( -0.001 1.948 -0.195) 1.958 15.798 ( 0.502 -3.674 -0.411) 3.731 15.828 ( 0.804 -3.913 0.375) 4.012 16.122 ( 0.116 -0.823 -0.418) 0.931 16.141 ( 0.558 -1.112 0.586) 1.376 16.198 ( -1.588 -2.778 0.783) 3.294 16.206 ( -0.691 -2.483 -0.751) 2.685 17.571 ( -0.447 1.879 -0.430) 1.979 17.579 ( -0.486 1.438 0.449) 1.583 17.669 ( -1.342 -1.680 -0.175) 2.157 17.686 ( -1.539 -2.337 0.501) 2.843 17.866 ( 1.149 2.135 -0.073) 2.426 17.930 ( 3.569 1.590 0.924) 4.015 17.946 ( 1.181 1.063 -0.171) 1.598 17.988 ( 3.530 0.850 0.356) 3.648 18.089 ( -1.036 3.444 0.290) 3.608 18.128 ( 0.757 4.045 -0.923) 4.218 18.233 ( -3.436 1.452 -1.182) 3.913 18.285 ( -2.815 1.707 1.256) 3.524 18.495 ( -0.087 0.508 1.304) 1.402 18.509 ( 1.470 0.549 -1.021) 1.872 18.575 ( 1.425 0.903 -1.442) 2.220 18.601 ( 1.951 -0.546 0.356) 2.057 18.665 ( 1.339 -0.204 -1.089) 1.738 18.685 ( 1.704 -0.492 1.658) 2.428 18.946 ( -5.733 -0.466 0.205) 5.756 18.982 ( -4.190 -1.799 -1.079) 4.686 ======================= Grid point 85 (41/44) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 6.509 4.959 -2.558) 8.573 0.741 ( 2.605 5.370 -5.682) 8.240 0.821 ( -0.083 1.945 3.268) 3.804 0.845 ( -3.614 2.582 0.409) 4.461 0.868 ( -1.590 3.499 2.924) 4.830 0.965 ( 2.712 3.209 6.974) 8.141 0.994 ( -1.913 0.988 -2.017) 2.950 1.060 ( -1.839 2.585 -2.523) 4.053 1.078 ( -2.521 -2.733 1.564) 4.034 1.101 ( -1.966 -0.519 -1.879) 2.768 1.172 ( 0.270 -0.772 0.979) 1.275 1.192 ( -0.716 -1.176 -1.779) 2.249 1.256 ( 2.190 1.776 1.170) 3.053 1.313 ( -0.323 1.385 -3.153) 3.459 1.340 ( 0.790 -1.854 -1.185) 2.337 1.379 ( 0.591 -1.907 -0.293) 2.018 1.387 ( -0.445 -1.152 0.148) 1.244 1.443 ( -3.536 0.695 2.529) 4.402 1.464 ( 3.044 1.310 0.299) 3.328 1.510 ( 1.554 -0.447 -2.410) 2.902 1.534 ( -1.077 1.502 -2.663) 3.242 1.555 ( -2.016 -0.063 0.542) 2.089 1.628 ( 2.048 1.101 0.104) 2.327 1.653 ( -0.475 1.368 0.074) 1.450 1.677 ( 1.351 0.402 1.588) 2.123 1.715 ( 0.906 2.306 0.194) 2.485 1.735 ( -0.463 1.688 1.429) 2.259 1.769 ( -3.039 -0.843 0.267) 3.165 1.813 ( 2.994 1.679 -1.747) 3.852 1.830 ( 1.129 0.472 -1.684) 2.081 1.858 ( 2.105 -0.629 -0.678) 2.299 1.886 ( 0.507 1.320 1.119) 1.803 1.915 ( 2.186 -0.922 -0.461) 2.417 1.968 ( 0.657 -2.416 0.560) 2.565 1.991 ( 2.392 -0.130 1.130) 2.649 2.030 ( 0.008 0.165 4.001) 4.004 2.060 ( 4.886 1.341 1.561) 5.302 2.077 ( -0.189 -3.716 1.237) 3.921 2.097 ( -1.669 1.271 1.162) 2.398 2.159 ( 0.236 -1.797 -0.536) 1.890 2.182 ( -1.467 -2.555 -0.539) 2.995 2.223 ( 1.492 -2.116 -0.966) 2.764 2.287 ( -6.408 0.642 -0.964) 6.512 2.333 ( -5.656 -2.585 -0.527) 6.241 2.399 ( -1.465 1.931 0.708) 2.525 2.442 ( -2.151 -1.624 -2.260) 3.517 2.513 ( 4.513 -1.001 1.646) 4.907 2.570 ( -0.048 -2.018 0.668) 2.126 2.588 ( 1.420 -2.137 -2.808) 3.804 2.622 ( -0.574 -1.485 0.917) 1.838 2.670 ( -2.374 -0.180 -1.572) 2.852 2.681 ( -1.853 -1.657 0.378) 2.515 2.787 ( -0.691 -0.988 -1.069) 1.611 2.824 ( -3.973 1.478 1.493) 4.495 2.921 ( 1.690 -0.097 1.057) 1.996 2.982 ( -2.430 -1.784 -1.533) 3.382 3.127 ( 2.458 1.191 -0.793) 2.844 3.153 ( 4.950 0.212 -0.608) 4.991 3.158 ( -0.586 0.365 2.181) 2.287 3.231 ( -1.732 -0.956 -0.445) 2.028 3.298 ( 0.863 1.247 -0.464) 1.586 3.308 ( 0.975 0.941 0.571) 1.471 3.380 ( -2.070 -0.936 -0.306) 2.292 3.386 ( -2.526 -0.504 0.107) 2.578 3.589 ( 1.052 -1.400 0.203) 1.763 3.602 ( 0.351 -0.925 -0.366) 1.055 3.641 ( 0.423 -2.573 0.502) 2.655 3.659 ( -0.626 -1.952 -0.266) 2.067 3.751 ( 1.445 2.124 -0.013) 2.569 3.762 ( 1.103 1.633 0.181) 1.979 3.773 ( -0.563 1.864 0.302) 1.971 3.783 ( -0.267 2.350 -0.419) 2.402 3.799 ( 1.594 1.279 0.179) 2.051 3.818 ( 1.924 0.697 -0.179) 2.055 3.850 ( -2.523 0.286 -0.185) 2.546 3.869 ( -2.579 -0.148 0.009) 2.583 4.070 ( 5.002 3.588 -0.520) 6.178 4.079 ( 4.025 3.741 0.560) 5.524 4.162 ( 1.849 4.581 0.468) 4.963 4.164 ( 2.326 3.828 -0.482) 4.505 4.269 ( -1.478 -0.887 -0.059) 1.724 4.283 ( -1.483 -1.022 0.050) 1.802 4.308 ( -1.792 0.040 0.194) 1.803 4.323 ( -2.174 1.014 -0.254) 2.412 4.787 ( 5.084 0.095 0.029) 5.085 4.794 ( 4.541 0.356 0.102) 4.556 4.931 ( -6.782 -2.030 -0.004) 7.080 4.941 ( -7.445 -1.889 -0.151) 7.683 5.470 ( 1.315 -2.965 0.080) 3.244 5.475 ( 0.679 -2.653 -0.027) 2.739 5.484 ( -0.312 -2.534 0.232) 2.563 5.497 ( -0.849 -3.257 -0.298) 3.379 5.775 ( 4.684 2.602 0.337) 5.369 5.804 ( 3.920 2.177 -0.490) 4.511 5.873 ( -3.579 0.241 -0.059) 3.587 5.886 ( -3.281 -0.106 0.148) 3.286 6.141 ( 1.453 0.791 0.058) 1.656 6.149 ( 0.770 0.144 -0.033) 0.784 6.207 ( 0.533 -0.898 -0.166) 1.057 6.219 ( -0.650 -1.041 0.183) 1.241 6.680 ( 0.179 -0.679 0.189) 0.727 6.691 ( -0.630 -0.786 -0.287) 1.047 6.715 ( 0.350 -1.043 -0.045) 1.101 6.720 ( -0.080 -1.343 0.247) 1.368 14.722 ( 0.297 0.227 0.452) 0.587 14.740 ( -0.625 0.156 -0.853) 1.068 14.773 ( -0.161 -0.857 0.581) 1.047 14.797 ( -1.766 -1.024 -0.161) 2.048 15.108 ( 0.477 2.491 0.698) 2.630 15.113 ( 0.422 2.429 -0.681) 2.558 15.220 ( 1.680 -0.605 -1.263) 2.187 15.225 ( 0.445 -0.450 1.286) 1.433 15.381 ( -0.485 1.932 -0.412) 2.034 15.386 ( -0.996 1.384 0.361) 1.743 15.510 ( 0.284 0.503 2.018) 2.099 15.521 ( 0.277 1.556 -1.994) 2.544 15.571 ( 0.232 -0.056 0.876) 0.908 15.579 ( -0.108 0.674 -0.811) 1.060 15.815 ( 1.082 -4.081 0.293) 4.232 15.833 ( -0.355 -4.261 -0.313) 4.287 16.133 ( 1.272 -1.087 -0.282) 1.697 16.157 ( 0.431 -1.087 0.468) 1.259 16.166 ( -1.532 -2.132 0.689) 2.715 16.183 ( -1.085 -1.672 -0.715) 2.118 17.571 ( 0.441 1.121 -0.163) 1.215 17.576 ( -0.095 0.971 0.150) 0.987 17.645 ( -0.608 -1.825 -0.274) 1.943 17.653 ( -1.572 -2.075 0.396) 2.633 17.905 ( 2.373 2.730 0.318) 3.631 17.946 ( -1.220 2.984 -0.437) 3.253 18.005 ( 3.231 1.252 0.562) 3.510 18.042 ( 0.345 1.469 0.563) 1.610 18.095 ( 1.657 1.646 0.917) 2.509 18.145 ( 1.196 2.085 -1.482) 2.824 18.160 ( -1.834 1.490 -1.296) 2.695 18.217 ( -4.318 1.743 1.195) 4.807 18.514 ( 0.559 0.219 2.596) 2.664 18.530 ( 0.880 0.244 -2.474) 2.637 18.594 ( 1.409 0.458 -0.718) 1.647 18.614 ( -0.653 -0.244 0.470) 0.841 18.710 ( 3.877 0.698 -0.837) 4.027 18.752 ( 3.126 -0.091 1.275) 3.377 18.828 ( -5.127 0.741 0.443) 5.199 18.875 ( -5.330 -0.730 -1.440) 5.570 ======================= Grid point 88 (42/44) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.861 4.981 -6.487) 8.224 0.844 ( -0.861 4.981 6.487) 8.224 0.885 ( -1.110 8.411 -3.697) 9.254 0.885 ( 1.110 8.411 3.697) 9.254 0.998 ( -1.039 -2.261 -3.467) 4.268 0.998 ( 1.039 -2.261 3.467) 4.268 1.069 ( 1.172 2.260 -1.187) 2.809 1.069 ( -1.172 2.260 1.187) 2.809 1.172 ( 0.285 -2.973 -1.063) 3.170 1.172 ( -0.285 -2.973 1.063) 3.170 1.239 ( -0.536 0.701 -1.205) 1.494 1.239 ( 0.536 0.701 1.205) 1.494 1.281 ( 1.084 -1.193 -1.347) 2.101 1.281 ( -1.084 -1.193 1.347) 2.101 1.356 ( -2.134 0.204 -0.531) 2.209 1.356 ( 2.134 0.204 0.531) 2.209 1.383 ( -1.165 -1.743 -0.530) 2.162 1.383 ( 1.165 -1.743 0.530) 2.162 1.550 ( 1.771 3.430 -2.035) 4.363 1.550 ( -1.771 3.430 2.035) 4.363 1.557 ( -3.971 4.311 -1.942) 6.174 1.557 ( 3.971 4.311 1.942) 6.174 1.631 ( 2.744 -0.006 -1.647) 3.201 1.631 ( -2.744 -0.006 1.647) 3.201 1.677 ( 0.103 -0.848 -3.243) 3.353 1.677 ( -0.103 -0.848 3.243) 3.353 1.746 ( -0.770 3.543 -0.753) 3.704 1.746 ( 0.770 3.543 0.753) 3.704 1.799 ( -0.681 -0.872 -1.178) 1.616 1.799 ( 0.681 -0.872 1.178) 1.616 1.869 ( -0.598 -0.665 -2.741) 2.883 1.869 ( 0.598 -0.665 2.741) 2.883 1.888 ( -0.621 -2.341 -2.339) 3.367 1.888 ( 0.621 -2.341 2.339) 3.367 1.969 ( -0.032 0.269 -1.295) 1.323 1.969 ( 0.032 0.269 1.295) 1.323 1.988 ( -1.959 1.048 -2.772) 3.553 1.988 ( 1.959 1.048 2.772) 3.553 2.088 ( 0.336 -4.041 -0.871) 4.148 2.088 ( -0.336 -4.041 0.871) 4.148 2.137 ( -0.681 -3.340 -1.048) 3.566 2.137 ( 0.681 -3.340 1.048) 3.566 2.184 ( -2.228 -4.372 -1.596) 5.160 2.184 ( 2.228 -4.372 1.596) 5.160 2.481 ( -0.586 1.396 -1.010) 1.820 2.481 ( 0.586 1.396 1.010) 1.820 2.558 ( -1.590 0.492 -0.267) 1.686 2.558 ( 1.590 0.492 0.267) 1.686 2.600 ( -0.784 -2.499 -0.845) 2.751 2.600 ( 0.784 -2.499 0.845) 2.751 2.736 ( -0.906 -0.464 -0.343) 1.074 2.736 ( 0.906 -0.464 0.343) 1.074 2.899 ( -1.953 -0.211 -0.340) 1.994 2.899 ( 1.953 -0.211 0.340) 1.994 2.976 ( -1.341 0.056 0.307) 1.377 2.976 ( 1.341 0.056 -0.307) 1.377 3.107 ( -0.554 2.175 -0.792) 2.381 3.107 ( 0.554 2.175 0.792) 2.381 3.147 ( -0.086 -0.808 -0.149) 0.827 3.147 ( 0.086 -0.808 0.149) 0.827 3.387 ( -0.340 2.723 -0.631) 2.816 3.387 ( 0.340 2.723 0.631) 2.816 3.436 ( -0.862 -1.468 -0.319) 1.732 3.436 ( 0.862 -1.468 0.319) 1.732 3.578 ( -0.490 -0.406 -0.429) 0.768 3.578 ( 0.490 -0.406 0.429) 0.768 3.613 ( -0.753 -0.685 -0.366) 1.082 3.613 ( 0.753 -0.685 0.366) 1.082 3.739 ( -0.651 0.595 -0.040) 0.883 3.739 ( 0.651 0.595 0.040) 0.883 3.763 ( -0.914 -0.704 0.022) 1.154 3.763 ( 0.914 -0.704 -0.022) 1.154 3.823 ( -0.189 5.784 -0.435) 5.803 3.823 ( 0.189 5.784 0.435) 5.803 3.934 ( -0.382 -3.961 -0.142) 3.982 3.934 ( 0.382 -3.961 0.142) 3.982 3.951 ( 0.122 2.395 -0.631) 2.480 3.951 ( -0.122 2.395 0.631) 2.480 3.993 ( -0.576 -1.833 -0.437) 1.970 3.993 ( 0.576 -1.833 0.437) 1.970 4.364 ( -0.171 0.399 -0.241) 0.496 4.364 ( 0.171 0.399 0.241) 0.496 4.376 ( -0.735 -0.488 0.015) 0.882 4.376 ( 0.735 -0.488 -0.015) 0.882 4.819 ( 0.049 8.504 -1.268) 8.598 4.819 ( -0.049 8.504 1.268) 8.598 4.997 ( 0.042 -8.991 -1.319) 9.088 4.997 ( -0.042 -8.991 1.319) 9.088 5.445 ( -0.321 1.078 -0.493) 1.228 5.445 ( 0.321 1.078 0.493) 1.228 5.474 ( -0.072 -1.432 -0.053) 1.435 5.474 ( 0.072 -1.432 0.053) 1.435 5.799 ( -0.219 6.386 -0.848) 6.446 5.799 ( 0.219 6.386 0.848) 6.446 5.904 ( 0.014 -3.473 -0.646) 3.533 5.904 ( -0.014 -3.473 0.646) 3.533 6.111 ( -0.878 -0.953 0.126) 1.302 6.111 ( 0.878 -0.953 -0.126) 1.302 6.135 ( -0.962 -1.395 -0.019) 1.695 6.135 ( 0.962 -1.395 0.019) 1.695 6.696 ( 0.078 0.118 -0.140) 0.199 6.696 ( -0.078 0.118 0.140) 0.199 6.708 ( 0.074 -0.082 -0.206) 0.234 6.708 ( -0.074 -0.082 0.206) 0.234 14.766 ( -0.315 1.696 -0.028) 1.726 14.766 ( 0.315 1.696 0.028) 1.726 14.805 ( -0.334 -1.789 -0.387) 1.861 14.805 ( 0.334 -1.789 0.387) 1.861 15.137 ( 0.162 1.850 -0.971) 2.096 15.137 ( -0.162 1.850 0.971) 2.096 15.163 ( -0.193 -0.489 -1.071) 1.193 15.163 ( 0.193 -0.489 1.071) 1.193 15.432 ( -0.616 -0.244 0.075) 0.666 15.432 ( 0.616 -0.244 -0.075) 0.666 15.465 ( -1.051 -0.460 -0.154) 1.158 15.465 ( 1.051 -0.460 0.154) 1.158 15.643 ( 0.245 4.058 -0.399) 4.085 15.643 ( -0.245 4.058 0.399) 4.085 15.728 ( -0.491 -4.295 -0.494) 4.351 15.728 ( 0.491 -4.295 0.494) 4.351 16.116 ( -0.201 -0.299 -0.368) 0.515 16.116 ( 0.201 -0.299 0.368) 0.515 16.168 ( 0.327 -1.348 -0.338) 1.427 16.168 ( -0.327 -1.348 0.338) 1.427 17.613 ( 0.314 1.112 -0.950) 1.496 17.613 ( -0.314 1.112 0.950) 1.496 17.657 ( 0.151 -1.400 -0.572) 1.520 17.657 ( -0.151 -1.400 0.572) 1.520 17.903 ( -0.172 1.185 -0.771) 1.425 17.903 ( 0.172 1.185 0.771) 1.425 17.947 ( -0.288 0.160 -0.259) 0.419 17.947 ( 0.288 0.160 0.259) 0.419 18.202 ( -0.222 4.262 -1.708) 4.597 18.202 ( 0.222 4.262 1.708) 4.597 18.282 ( -0.860 -2.294 -1.655) 2.957 18.282 ( 0.860 -2.294 1.655) 2.957 18.507 ( 0.053 0.236 -0.532) 0.584 18.507 ( -0.053 0.236 0.532) 0.584 18.576 ( 0.082 0.558 -0.589) 0.816 18.576 ( -0.082 0.558 0.589) 0.816 18.655 ( -0.056 -0.151 -0.739) 0.756 18.655 ( 0.056 -0.151 0.739) 0.756 18.987 ( -0.177 -0.943 -0.168) 0.974 18.987 ( 0.177 -0.943 0.168) 0.974 ======================= Grid point 90 (43/44) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.871 9.090 -4.523) 10.551 0.845 ( 1.521 6.645 -5.575) 8.806 0.865 ( -0.037 5.145 4.067) 6.559 0.926 ( 0.887 3.391 5.101) 6.189 0.946 ( -3.274 -3.087 -2.422) 5.110 1.016 ( -3.210 -2.935 1.078) 4.481 1.031 ( -2.420 -0.009 1.648) 2.928 1.048 ( -2.012 4.220 1.003) 4.781 1.108 ( -1.667 -4.178 -0.713) 4.555 1.146 ( -1.525 -3.895 1.269) 4.371 1.192 ( -3.220 2.341 0.523) 4.015 1.229 ( -4.273 0.493 -0.791) 4.373 1.273 ( 0.270 -0.625 1.196) 1.376 1.285 ( -0.256 0.372 -1.372) 1.445 1.307 ( -0.282 -0.090 0.502) 0.583 1.360 ( -0.992 -3.359 -0.755) 3.583 1.385 ( 0.525 -0.136 -0.540) 0.765 1.404 ( -0.422 -2.024 -0.239) 2.082 1.524 ( -2.134 2.152 0.299) 3.045 1.527 ( 0.035 3.093 -1.355) 3.377 1.568 ( 1.405 2.424 -1.588) 3.220 1.612 ( 2.728 3.650 -0.588) 4.594 1.633 ( -1.746 -1.613 -0.671) 2.470 1.682 ( 2.342 0.204 1.425) 2.749 1.685 ( 0.237 0.983 -0.562) 1.157 1.721 ( 2.930 -0.035 -0.777) 3.032 1.742 ( 2.217 3.514 -2.272) 4.735 1.785 ( 2.469 0.517 1.421) 2.895 1.807 ( 0.903 -0.417 -0.325) 1.046 1.822 ( 0.587 -2.500 -0.537) 2.624 1.839 ( -1.922 0.043 0.442) 1.972 1.879 ( 0.689 3.178 -0.612) 3.309 1.895 ( 3.333 5.921 -0.689) 6.830 1.910 ( 0.265 -3.588 0.789) 3.683 1.946 ( -0.749 1.696 -0.835) 2.033 1.970 ( 2.274 -1.748 0.367) 2.892 1.985 ( 0.809 -2.258 0.974) 2.589 2.033 ( 1.613 1.277 4.252) 4.724 2.078 ( 0.507 -5.831 0.025) 5.853 2.109 ( 2.174 -1.206 1.195) 2.758 2.116 ( -0.459 -1.850 1.179) 2.242 2.170 ( 1.026 -0.861 -0.694) 1.508 2.182 ( 1.819 -2.917 -0.206) 3.444 2.261 ( 3.970 -9.160 2.912) 10.399 2.467 ( -1.400 1.778 0.967) 2.460 2.488 ( -2.146 0.183 1.925) 2.888 2.517 ( -1.189 2.729 -2.864) 4.130 2.571 ( -0.554 0.484 -0.955) 1.205 2.574 ( -0.289 -3.326 -1.707) 3.750 2.617 ( 0.770 -3.639 -0.592) 3.766 2.677 ( -3.861 3.515 -0.061) 5.222 2.736 ( -2.196 -1.496 -0.712) 2.751 2.842 ( -2.812 2.211 -1.031) 3.723 2.901 ( -1.016 -2.740 -0.836) 3.039 2.953 ( -2.735 2.317 1.648) 3.945 3.001 ( -1.478 -2.387 0.585) 2.868 3.078 ( 1.162 2.537 -0.178) 2.796 3.119 ( 0.399 1.816 0.035) 1.860 3.130 ( 1.168 -0.765 0.893) 1.657 3.180 ( 1.544 -2.349 -1.500) 3.186 3.355 ( -1.758 2.412 0.503) 3.026 3.369 ( -2.823 1.684 -0.659) 3.352 3.401 ( -1.841 -0.927 0.249) 2.076 3.421 ( -2.148 -1.440 0.132) 2.590 3.570 ( -0.083 0.227 -0.037) 0.245 3.590 ( 0.258 -1.714 0.209) 1.746 3.601 ( -0.037 0.804 -0.139) 0.817 3.626 ( 0.283 -1.572 0.194) 1.609 3.753 ( 1.818 1.559 0.235) 2.406 3.767 ( 1.623 1.418 -0.272) 2.173 3.777 ( 1.696 -0.747 0.064) 1.855 3.788 ( 0.951 -0.335 -0.139) 1.018 3.836 ( 0.628 3.867 0.067) 3.919 3.842 ( 0.826 3.400 -0.032) 3.499 3.890 ( -2.082 -1.156 0.045) 2.381 3.897 ( -1.894 -1.505 -0.106) 2.421 4.001 ( 4.870 2.022 -0.664) 5.315 4.019 ( 5.145 2.176 0.584) 5.617 4.053 ( 5.920 -2.570 -0.410) 6.467 4.072 ( 6.155 -2.350 0.341) 6.598 4.338 ( -2.273 1.111 -0.027) 2.530 4.345 ( -2.050 1.416 -0.009) 2.491 4.360 ( -1.264 -0.565 0.025) 1.384 4.377 ( -0.872 -1.004 -0.036) 1.330 4.806 ( -0.371 7.057 -0.644) 7.096 4.820 ( -0.383 7.144 0.691) 7.188 4.954 ( -3.320 -7.315 -0.548) 8.052 4.971 ( -3.315 -7.437 0.484) 8.157 5.430 ( -0.626 0.594 -0.388) 0.946 5.444 ( -0.595 0.348 0.481) 0.840 5.458 ( -1.144 -1.915 -0.121) 2.234 5.466 ( -0.931 -1.644 0.030) 1.890 5.801 ( 0.942 5.355 -0.262) 5.443 5.820 ( 1.288 4.612 0.051) 4.789 5.891 ( -0.994 -3.207 -0.094) 3.359 5.897 ( -0.981 -2.709 0.211) 2.889 6.120 ( 1.643 0.617 0.130) 1.760 6.134 ( 1.579 0.405 -0.293) 1.656 6.151 ( 2.096 -1.452 0.273) 2.565 6.172 ( 2.099 -2.162 -0.090) 3.014 6.685 ( -0.809 0.315 0.046) 0.870 6.693 ( -0.517 -0.339 -0.164) 0.640 6.704 ( -0.428 -0.279 0.188) 0.545 6.705 ( -0.312 -0.305 -0.051) 0.440 14.748 ( -1.304 1.373 0.106) 1.896 14.763 ( -0.483 1.287 0.261) 1.399 14.779 ( -1.790 -1.298 -0.469) 2.260 14.798 ( -1.060 -1.785 0.146) 2.081 15.141 ( 0.653 1.837 -0.091) 1.952 15.146 ( 0.592 1.758 -0.019) 1.855 15.178 ( 1.893 -0.334 -0.770) 2.071 15.189 ( 1.312 -0.826 0.936) 1.811 15.421 ( -0.481 0.898 0.311) 1.066 15.431 ( -0.560 0.490 -0.471) 0.881 15.465 ( 0.887 -0.375 0.494) 1.082 15.488 ( 0.998 -1.962 -0.184) 2.209 15.638 ( -0.339 4.711 0.266) 4.731 15.642 ( -0.167 3.683 -0.286) 3.698 15.721 ( 0.160 -4.005 -0.288) 4.019 15.739 ( 0.290 -5.000 0.186) 5.012 16.113 ( 0.091 0.043 -0.035) 0.107 16.124 ( 0.293 -0.794 0.631) 1.056 16.157 ( -0.789 -0.829 0.023) 1.144 16.167 ( -0.262 -1.449 -0.497) 1.554 17.601 ( -0.886 1.133 -0.046) 1.439 17.603 ( -0.698 1.015 -0.198) 1.248 17.639 ( -1.379 -1.139 0.193) 1.799 17.645 ( -1.307 -1.634 0.178) 2.100 17.910 ( 1.704 2.149 0.051) 2.742 17.938 ( 2.495 -0.548 -0.044) 2.555 17.977 ( 3.018 1.542 0.472) 3.422 17.996 ( 3.566 -0.236 0.424) 3.599 18.164 ( -2.225 3.748 -0.860) 4.443 18.203 ( -1.339 2.316 0.099) 2.677 18.234 ( -2.502 -0.264 -1.199) 2.787 18.277 ( -2.179 -2.149 1.474) 3.397 18.513 ( 0.296 0.910 0.508) 1.084 18.519 ( 1.368 0.297 -0.702) 1.566 18.586 ( 0.966 0.225 -0.733) 1.233 18.592 ( 0.987 -0.350 -0.249) 1.076 18.666 ( 1.814 0.387 -0.244) 1.871 18.676 ( 1.871 -0.510 1.303) 2.336 18.940 ( -4.140 0.027 -0.025) 4.140 18.952 ( -3.609 -1.160 -0.530) 3.827 ======================= Grid point 91 (44/44) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.979 5.425 -2.072) 5.889 0.817 ( -4.854 0.259 -1.360) 5.048 0.878 ( 2.817 3.904 -5.160) 7.057 0.898 ( 0.756 3.712 3.118) 4.906 0.944 ( -2.079 3.183 2.560) 4.584 0.973 ( -0.353 -2.877 1.967) 3.503 0.998 ( -1.364 -3.474 0.695) 3.796 1.019 ( -3.120 -0.277 -0.665) 3.202 1.080 ( -0.380 0.811 1.667) 1.892 1.113 ( -1.963 0.725 -0.622) 2.183 1.154 ( -0.216 -0.961 0.200) 1.005 1.167 ( -1.329 -0.929 -0.559) 1.715 1.287 ( 1.092 1.243 2.510) 3.007 1.304 ( 1.855 -0.245 1.147) 2.195 1.330 ( 0.373 -0.543 -3.781) 3.838 1.348 ( 3.675 -1.400 0.199) 3.938 1.376 ( -2.049 0.388 -0.176) 2.093 1.409 ( 0.064 -2.798 -0.167) 2.803 1.463 ( -3.287 0.159 -0.078) 3.292 1.481 ( -3.461 -1.682 0.092) 3.850 1.558 ( -1.761 0.840 -0.625) 2.049 1.568 ( -2.480 0.386 -0.827) 2.643 1.654 ( 1.439 1.669 0.575) 2.277 1.678 ( 0.935 0.841 -0.614) 1.399 1.694 ( -0.239 1.388 0.092) 1.412 1.730 ( -1.815 -1.179 -1.178) 2.465 1.781 ( 1.552 3.286 0.525) 3.672 1.802 ( 0.190 2.175 0.245) 2.197 1.814 ( 0.177 0.399 -0.776) 0.890 1.825 ( -0.155 -0.088 -0.216) 0.280 1.872 ( 2.431 -4.374 1.365) 5.187 1.894 ( 0.641 -1.457 -0.506) 1.671 1.920 ( 0.719 2.686 -0.743) 2.878 1.926 ( 0.281 0.598 -0.701) 0.963 1.974 ( 0.641 -1.825 0.302) 1.957 1.981 ( -0.185 -2.153 -0.639) 2.253 2.074 ( 5.908 3.594 -0.002) 6.915 2.114 ( 1.245 -0.846 1.851) 2.386 2.128 ( 5.170 0.997 0.697) 5.311 2.132 ( 1.268 -0.655 0.944) 1.711 2.159 ( 1.585 2.224 -0.393) 2.759 2.212 ( 4.974 3.203 2.453) 6.404 2.247 ( 4.903 -4.720 -0.559) 6.829 2.318 ( -4.409 -2.721 0.890) 5.257 2.391 ( -3.597 0.073 1.011) 3.737 2.426 ( -3.808 -0.687 1.276) 4.074 2.497 ( -0.093 0.463 0.194) 0.511 2.540 ( -2.609 -2.998 -1.985) 4.443 2.559 ( 0.922 1.344 -1.875) 2.485 2.605 ( -3.313 -0.997 -0.226) 3.467 2.623 ( 0.019 -1.803 -0.381) 1.843 2.650 ( -3.504 -2.364 -0.542) 4.262 2.820 ( 1.586 3.985 -1.151) 4.441 2.872 ( -3.328 1.762 1.284) 3.978 2.901 ( -0.243 -0.917 0.224) 0.975 2.944 ( -3.137 -2.462 -0.472) 4.015 3.135 ( 2.571 0.189 -0.256) 2.591 3.149 ( 1.140 -0.926 0.786) 1.666 3.165 ( 2.413 1.109 -0.008) 2.656 3.198 ( 0.146 -2.068 -0.334) 2.099 3.322 ( -0.718 1.044 -0.155) 1.277 3.330 ( -0.991 0.657 0.007) 1.189 3.363 ( -1.595 -0.241 0.138) 1.619 3.373 ( -2.318 -0.777 -0.042) 2.445 3.574 ( 0.328 -0.137 0.332) 0.486 3.584 ( -0.379 -1.018 -0.529) 1.208 3.613 ( 0.692 -0.152 0.504) 0.869 3.626 ( -0.293 -1.273 -0.179) 1.319 3.791 ( 1.368 1.505 0.106) 2.037 3.796 ( 1.138 1.465 0.081) 1.857 3.801 ( 0.921 0.677 -0.011) 1.143 3.810 ( 0.950 0.209 -0.139) 0.983 3.836 ( -0.150 1.673 0.076) 1.682 3.840 ( -0.072 1.480 -0.161) 1.491 3.854 ( -1.683 -0.161 -0.096) 1.694 3.863 ( -1.688 -0.607 0.020) 1.794 4.121 ( 6.257 2.250 -0.193) 6.652 4.139 ( 5.530 2.657 0.048) 6.135 4.174 ( 5.384 -2.242 -0.018) 5.833 4.196 ( 4.892 -1.977 0.136) 5.278 4.280 ( -2.936 2.361 0.265) 3.777 4.291 ( -2.805 2.911 -0.339) 4.057 4.316 ( -3.113 -0.483 0.199) 3.156 4.334 ( -3.396 -0.808 -0.157) 3.494 4.815 ( 1.996 2.814 -0.415) 3.475 4.826 ( 0.923 2.819 0.553) 3.018 4.880 ( -3.390 -3.213 -0.429) 4.690 4.890 ( -4.445 -3.221 0.238) 5.494 5.426 ( 0.445 -0.999 -0.146) 1.103 5.435 ( -0.278 -1.141 0.164) 1.186 5.439 ( -0.628 -1.790 -0.170) 1.904 5.444 ( -1.155 -1.682 0.208) 2.051 5.827 ( 1.624 2.513 0.167) 2.996 5.843 ( 0.996 1.688 -0.491) 2.020 5.868 ( -1.281 -0.980 0.263) 1.634 5.874 ( -1.228 -1.086 -0.031) 1.640 6.159 ( 1.625 1.008 0.257) 1.929 6.165 ( 1.185 1.116 -0.280) 1.652 6.188 ( 1.248 -0.881 0.098) 1.530 6.198 ( 0.386 -1.205 -0.043) 1.266 6.673 ( -0.264 -0.000 0.054) 0.270 6.678 ( -0.681 -0.480 -0.104) 0.840 6.697 ( -0.204 -0.601 0.092) 0.641 6.699 ( -0.274 -0.696 -0.027) 0.748 14.731 ( -0.348 0.674 0.335) 0.830 14.743 ( -1.266 -0.213 -0.591) 1.414 14.760 ( 0.149 -0.053 0.432) 0.460 14.775 ( -1.063 -1.153 -0.168) 1.577 15.154 ( 0.470 1.833 0.283) 1.913 15.157 ( 0.397 1.632 -0.275) 1.702 15.207 ( 1.261 -0.600 -0.938) 1.682 15.212 ( 0.238 -0.893 0.959) 1.332 15.418 ( -0.071 1.703 0.363) 1.743 15.421 ( -0.207 1.758 -0.395) 1.814 15.486 ( 0.726 -1.563 0.780) 1.891 15.497 ( 0.143 -2.235 -0.623) 2.324 15.634 ( -0.092 4.830 0.172) 4.834 15.636 ( -0.186 4.190 -0.206) 4.199 15.729 ( 0.574 -4.592 0.026) 4.627 15.739 ( -0.325 -5.171 -0.084) 5.182 16.120 ( 0.563 -0.141 0.107) 0.591 16.131 ( -0.263 -1.296 0.541) 1.428 16.144 ( -0.122 -0.104 -0.030) 0.164 16.154 ( -0.604 -1.116 -0.534) 1.377 17.590 ( -0.146 0.779 -0.107) 0.800 17.592 ( -0.350 0.631 -0.011) 0.722 17.617 ( -0.654 -0.929 0.064) 1.138 17.621 ( -0.969 -1.190 0.102) 1.539 17.958 ( 2.533 2.375 0.312) 3.486 17.982 ( 0.987 0.246 -0.031) 1.018 18.038 ( 2.537 1.763 -0.041) 3.089 18.058 ( 1.366 -0.095 0.574) 1.484 18.129 ( -0.224 1.764 -0.002) 1.778 18.156 ( -2.118 -0.752 -1.039) 2.476 18.196 ( -0.524 2.029 -0.658) 2.196 18.226 ( -3.331 -0.752 1.154) 3.605 18.527 ( 0.503 0.946 1.145) 1.568 18.536 ( 0.555 0.166 -1.191) 1.325 18.593 ( 0.443 -0.275 -0.557) 0.763 18.599 ( -0.200 -0.919 0.004) 0.940 18.729 ( 4.580 1.111 -0.169) 4.715 18.747 ( 4.156 -0.562 1.200) 4.362 18.842 ( -5.396 0.742 0.129) 5.448 18.858 ( -5.048 -0.881 -0.966) 5.215 =================== 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 3/20160 10.0 9.592 10.315 7.969 0.000 0.521 0.000 3/20160 20.0 2.148 2.249 1.757 0.000 0.119 0.000 3/20160 30.0 1.157 1.203 0.932 0.000 0.065 0.000 3/20160 40.0 0.825 0.848 0.640 0.000 0.045 0.000 3/20160 50.0 0.663 0.673 0.491 0.000 0.035 0.000 3/20160 60.0 0.564 0.566 0.400 0.000 0.028 0.000 3/20160 70.0 0.495 0.492 0.338 0.000 0.024 0.000 3/20160 80.0 0.443 0.437 0.293 0.000 0.021 0.000 3/20160 90.0 0.402 0.394 0.259 0.000 0.018 0.000 3/20160 100.0 0.368 0.359 0.232 0.000 0.016 0.000 3/20160 110.0 0.339 0.330 0.210 0.000 0.015 0.000 3/20160 120.0 0.315 0.306 0.192 0.000 0.014 0.000 3/20160 130.0 0.293 0.285 0.177 0.000 0.012 0.000 3/20160 140.0 0.275 0.266 0.164 0.000 0.012 0.000 3/20160 150.0 0.259 0.250 0.153 0.000 0.011 0.000 3/20160 160.0 0.244 0.236 0.144 0.000 0.010 0.000 3/20160 170.0 0.232 0.224 0.135 0.000 0.009 0.000 3/20160 180.0 0.220 0.212 0.128 0.000 0.009 0.000 3/20160 190.0 0.210 0.202 0.121 0.000 0.008 0.000 3/20160 200.0 0.200 0.193 0.115 0.000 0.008 0.000 3/20160 210.0 0.192 0.185 0.110 0.000 0.008 0.000 3/20160 220.0 0.184 0.177 0.105 0.000 0.007 0.000 3/20160 230.0 0.176 0.170 0.100 0.000 0.007 0.000 3/20160 240.0 0.170 0.163 0.096 0.000 0.007 0.000 3/20160 250.0 0.163 0.157 0.092 0.000 0.006 0.000 3/20160 260.0 0.158 0.152 0.089 0.000 0.006 0.000 3/20160 270.0 0.152 0.146 0.086 0.000 0.006 0.000 3/20160 280.0 0.147 0.142 0.083 0.000 0.006 0.000 3/20160 290.0 0.142 0.137 0.080 0.000 0.005 0.000 3/20160 300.0 0.138 0.133 0.077 0.000 0.005 0.000 3/20160 310.0 0.134 0.129 0.075 0.000 0.005 0.000 3/20160 320.0 0.130 0.125 0.073 0.000 0.005 0.000 3/20160 330.0 0.126 0.121 0.070 0.000 0.005 0.000 3/20160 340.0 0.123 0.118 0.068 0.000 0.005 0.000 3/20160 350.0 0.119 0.115 0.066 0.000 0.004 0.000 3/20160 360.0 0.116 0.112 0.065 0.000 0.004 0.000 3/20160 370.0 0.113 0.109 0.063 0.000 0.004 0.000 3/20160 380.0 0.111 0.106 0.061 0.000 0.004 0.000 3/20160 390.0 0.108 0.104 0.060 0.000 0.004 0.000 3/20160 400.0 0.105 0.101 0.058 0.000 0.004 0.000 3/20160 410.0 0.103 0.099 0.057 0.000 0.004 0.000 3/20160 420.0 0.101 0.096 0.056 0.000 0.004 0.000 3/20160 430.0 0.098 0.094 0.054 0.000 0.004 0.000 3/20160 440.0 0.096 0.092 0.053 0.000 0.004 0.000 3/20160 450.0 0.094 0.090 0.052 0.000 0.003 0.000 3/20160 460.0 0.092 0.088 0.051 0.000 0.003 0.000 3/20160 470.0 0.090 0.087 0.050 0.000 0.003 0.000 3/20160 480.0 0.088 0.085 0.049 0.000 0.003 0.000 3/20160 490.0 0.087 0.083 0.048 0.000 0.003 0.000 3/20160 500.0 0.085 0.082 0.047 0.000 0.003 0.000 3/20160 510.0 0.083 0.080 0.046 0.000 0.003 0.000 3/20160 520.0 0.082 0.079 0.045 0.000 0.003 0.000 3/20160 530.0 0.080 0.077 0.044 0.000 0.003 0.000 3/20160 540.0 0.079 0.076 0.043 0.000 0.003 0.000 3/20160 550.0 0.078 0.074 0.043 0.000 0.003 0.000 3/20160 560.0 0.076 0.073 0.042 0.000 0.003 0.000 3/20160 570.0 0.075 0.072 0.041 0.000 0.003 0.000 3/20160 580.0 0.074 0.071 0.040 0.000 0.003 0.000 3/20160 590.0 0.072 0.070 0.040 0.000 0.003 0.000 3/20160 600.0 0.071 0.068 0.039 0.000 0.003 0.000 3/20160 610.0 0.070 0.067 0.038 0.000 0.003 0.000 3/20160 620.0 0.069 0.066 0.038 0.000 0.003 0.000 3/20160 630.0 0.068 0.065 0.037 0.000 0.002 0.000 3/20160 640.0 0.067 0.064 0.037 0.000 0.002 0.000 3/20160 650.0 0.066 0.063 0.036 0.000 0.002 0.000 3/20160 660.0 0.065 0.062 0.036 0.000 0.002 0.000 3/20160 670.0 0.064 0.061 0.035 0.000 0.002 0.000 3/20160 680.0 0.063 0.061 0.035 0.000 0.002 0.000 3/20160 690.0 0.062 0.060 0.034 0.000 0.002 0.000 3/20160 700.0 0.061 0.059 0.034 0.000 0.002 0.000 3/20160 710.0 0.060 0.058 0.033 0.000 0.002 0.000 3/20160 720.0 0.060 0.057 0.033 0.000 0.002 0.000 3/20160 730.0 0.059 0.056 0.032 0.000 0.002 0.000 3/20160 740.0 0.058 0.056 0.032 0.000 0.002 0.000 3/20160 750.0 0.057 0.055 0.031 0.000 0.002 0.000 3/20160 760.0 0.057 0.054 0.031 0.000 0.002 0.000 3/20160 770.0 0.056 0.054 0.031 0.000 0.002 0.000 3/20160 780.0 0.055 0.053 0.030 0.000 0.002 0.000 3/20160 790.0 0.054 0.052 0.030 0.000 0.002 0.000 3/20160 800.0 0.054 0.052 0.029 0.000 0.002 0.000 3/20160 810.0 0.053 0.051 0.029 0.000 0.002 0.000 3/20160 820.0 0.053 0.050 0.029 0.000 0.002 0.000 3/20160 830.0 0.052 0.050 0.028 0.000 0.002 0.000 3/20160 840.0 0.051 0.049 0.028 0.000 0.002 0.000 3/20160 850.0 0.051 0.049 0.028 0.000 0.002 0.000 3/20160 860.0 0.050 0.048 0.027 0.000 0.002 0.000 3/20160 870.0 0.050 0.048 0.027 0.000 0.002 0.000 3/20160 880.0 0.049 0.047 0.027 0.000 0.002 0.000 3/20160 890.0 0.048 0.046 0.026 0.000 0.002 0.000 3/20160 900.0 0.048 0.046 0.026 0.000 0.002 0.000 3/20160 910.0 0.047 0.045 0.026 0.000 0.002 0.000 3/20160 920.0 0.047 0.045 0.026 0.000 0.002 0.000 3/20160 930.0 0.046 0.044 0.025 0.000 0.002 0.000 3/20160 940.0 0.046 0.044 0.025 0.000 0.002 0.000 3/20160 950.0 0.045 0.044 0.025 0.000 0.002 0.000 3/20160 960.0 0.045 0.043 0.025 0.000 0.002 0.000 3/20160 970.0 0.045 0.043 0.024 0.000 0.002 0.000 3/20160 980.0 0.044 0.042 0.024 0.000 0.002 0.000 3/20160 990.0 0.044 0.042 0.024 0.000 0.002 0.000 3/20160 1000.0 0.043 0.041 0.024 0.000 0.002 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m574.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:22:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|