----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:10:48]------------------------- 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: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.711535265865345 0.000000000000000 0.000000000000000 b 0.000000000000000 12.596224919999999 0.000000000000000 c -4.382777421260349 0.000000000000000 7.703462211873159 Atomic positions (fractional): *1 Na 0.03417804280214 0.22779485632577 0.74463263497236 22.990 2 Na 0.96582195719786 0.72779485632577 0.75536736502764 22.990 3 Na 0.96582195719786 0.77220514367423 0.25536736502764 22.990 4 Na 0.03417804280214 0.27220514367423 0.24463263497236 22.990 *5 Na 0.27758417795098 0.55809184695169 0.30307553226425 22.990 6 Na 0.72241582204902 0.05809184695169 0.19692446773575 22.990 7 Na 0.72241582204902 0.44190815304831 0.69692446773575 22.990 8 Na 0.27758417795098 0.94190815304831 0.80307553226425 22.990 *9 Na 0.50428202041584 0.15160812984700 0.48901582197635 22.990 10 Na 0.49571797958415 0.65160812984700 0.01098417802365 22.990 11 Na 0.49571797958415 0.84839187015300 0.51098417802365 22.990 12 Na 0.50428202041584 0.34839187015300 0.98901582197635 22.990 *13 Si 0.85370414053649 0.00932975099609 0.88519740440486 28.085 14 Si 0.14629585946351 0.50932975099609 0.61480259559514 28.085 15 Si 0.14629585946351 0.99067024900391 0.11480259559514 28.085 16 Si 0.85370414053649 0.49067024900391 0.38519740440486 28.085 *17 Te 0.66447710668770 0.62865731472521 0.41982331504612 127.600 18 Te 0.33552289331230 0.12865731472521 0.08017668495388 127.600 19 Te 0.33552289331230 0.37134268527480 0.58017668495388 127.600 20 Te 0.66447710668770 0.87134268527479 0.91982331504612 127.600 *21 Te 0.85687398177111 0.52292758170693 0.10683795167257 127.600 22 Te 0.14312601822888 0.02292758170693 0.39316204832743 127.600 23 Te 0.14312601822888 0.47707241829307 0.89316204832743 127.600 24 Te 0.85687398177111 0.97707241829307 0.60683795167257 127.600 *25 Te 0.74646581905599 0.30551552137582 0.38593530513840 127.600 26 Te 0.25353418094401 0.80551552137582 0.11406469486160 127.600 27 Te 0.25353418094401 0.69448447862418 0.61406469486160 127.600 28 Te 0.74646581905599 0.19448447862418 0.88593530513840 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.711535265865345 0.000000000000000 0.000000000000000 b 0.000000000000000 12.596224919999999 0.000000000000000 c -4.382777421260349 0.000000000000000 7.703462211873159 Atomic positions (fractional): *1 Na 0.03417804280214 0.22779485632577 0.74463263497236 22.990 > 1 2 Na 0.96582195719786 0.72779485632577 0.75536736502764 22.990 > 2 3 Na 0.96582195719786 0.77220514367423 0.25536736502764 22.990 > 3 4 Na 0.03417804280214 0.27220514367423 0.24463263497236 22.990 > 4 *5 Na 0.27758417795098 0.55809184695169 0.30307553226425 22.990 > 5 6 Na 0.72241582204902 0.05809184695169 0.19692446773575 22.990 > 6 7 Na 0.72241582204902 0.44190815304831 0.69692446773575 22.990 > 7 8 Na 0.27758417795098 0.94190815304831 0.80307553226425 22.990 > 8 *9 Na 0.50428202041584 0.15160812984700 0.48901582197635 22.990 > 9 10 Na 0.49571797958415 0.65160812984700 0.01098417802365 22.990 > 10 11 Na 0.49571797958415 0.84839187015300 0.51098417802365 22.990 > 11 12 Na 0.50428202041584 0.34839187015300 0.98901582197635 22.990 > 12 *13 Si 0.85370414053649 0.00932975099609 0.88519740440486 28.085 > 13 14 Si 0.14629585946351 0.50932975099609 0.61480259559514 28.085 > 14 15 Si 0.14629585946351 0.99067024900391 0.11480259559514 28.085 > 15 16 Si 0.85370414053649 0.49067024900391 0.38519740440486 28.085 > 16 *17 Te 0.66447710668770 0.62865731472521 0.41982331504612 127.600 > 17 18 Te 0.33552289331230 0.12865731472521 0.08017668495388 127.600 > 18 19 Te 0.33552289331230 0.37134268527480 0.58017668495388 127.600 > 19 20 Te 0.66447710668770 0.87134268527479 0.91982331504612 127.600 > 20 *21 Te 0.85687398177111 0.52292758170693 0.10683795167257 127.600 > 21 22 Te 0.14312601822888 0.02292758170693 0.39316204832743 127.600 > 22 23 Te 0.14312601822888 0.47707241829307 0.89316204832743 127.600 > 23 24 Te 0.85687398177111 0.97707241829307 0.60683795167257 127.600 > 24 *25 Te 0.74646581905599 0.30551552137582 0.38593530513840 127.600 > 25 26 Te 0.25353418094401 0.80551552137582 0.11406469486160 127.600 > 26 27 Te 0.25353418094401 0.69448447862418 0.61406469486160 127.600 > 27 28 Te 0.74646581905599 0.19448447862418 0.88593530513840 127.600 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.423070531730691 0.000000000000000 0.000000000000000 b 0.000000000000000 12.596224919999999 0.000000000000000 c -8.765554842520698 0.000000000000000 15.406924423746318 Atomic positions (fractional): *1 Na 0.01708902140107 0.22779485632577 0.37231631748618 22.990 > 1 2 Na 0.51708902140107 0.22779485632577 0.37231631748618 22.990 > 1 3 Na 0.01708902140107 0.22779485632577 0.87231631748618 22.990 > 1 4 Na 0.51708902140107 0.22779485632577 0.87231631748618 22.990 > 1 5 Na 0.48291097859893 0.72779485632577 0.37768368251382 22.990 > 2 6 Na 0.98291097859893 0.72779485632577 0.37768368251382 22.990 > 2 7 Na 0.48291097859893 0.72779485632577 0.87768368251382 22.990 > 2 8 Na 0.98291097859893 0.72779485632577 0.87768368251382 22.990 > 2 9 Na 0.48291097859893 0.77220514367423 0.12768368251382 22.990 > 3 10 Na 0.98291097859893 0.77220514367423 0.12768368251382 22.990 > 3 11 Na 0.48291097859893 0.77220514367423 0.62768368251382 22.990 > 3 12 Na 0.98291097859893 0.77220514367423 0.62768368251382 22.990 > 3 13 Na 0.01708902140107 0.27220514367423 0.12231631748618 22.990 > 4 14 Na 0.51708902140107 0.27220514367423 0.12231631748618 22.990 > 4 15 Na 0.01708902140107 0.27220514367423 0.62231631748618 22.990 > 4 16 Na 0.51708902140107 0.27220514367423 0.62231631748618 22.990 > 4 *17 Na 0.13879208897549 0.55809184695169 0.15153776613213 22.990 > 5 18 Na 0.63879208897549 0.55809184695169 0.15153776613213 22.990 > 5 19 Na 0.13879208897549 0.55809184695169 0.65153776613213 22.990 > 5 20 Na 0.63879208897549 0.55809184695169 0.65153776613213 22.990 > 5 21 Na 0.36120791102451 0.05809184695169 0.09846223386787 22.990 > 6 22 Na 0.86120791102451 0.05809184695169 0.09846223386787 22.990 > 6 23 Na 0.36120791102451 0.05809184695169 0.59846223386787 22.990 > 6 24 Na 0.86120791102451 0.05809184695169 0.59846223386787 22.990 > 6 25 Na 0.36120791102451 0.44190815304831 0.34846223386787 22.990 > 7 26 Na 0.86120791102451 0.44190815304831 0.34846223386787 22.990 > 7 27 Na 0.36120791102451 0.44190815304831 0.84846223386787 22.990 > 7 28 Na 0.86120791102451 0.44190815304831 0.84846223386787 22.990 > 7 29 Na 0.13879208897549 0.94190815304831 0.40153776613213 22.990 > 8 30 Na 0.63879208897549 0.94190815304831 0.40153776613213 22.990 > 8 31 Na 0.13879208897549 0.94190815304831 0.90153776613213 22.990 > 8 32 Na 0.63879208897549 0.94190815304831 0.90153776613213 22.990 > 8 *33 Na 0.25214101020792 0.15160812984700 0.24450791098818 22.990 > 9 34 Na 0.75214101020792 0.15160812984700 0.24450791098818 22.990 > 9 35 Na 0.25214101020792 0.15160812984700 0.74450791098818 22.990 > 9 36 Na 0.75214101020792 0.15160812984700 0.74450791098818 22.990 > 9 37 Na 0.24785898979208 0.65160812984700 0.00549208901182 22.990 > 10 38 Na 0.74785898979208 0.65160812984700 0.00549208901182 22.990 > 10 39 Na 0.24785898979208 0.65160812984700 0.50549208901182 22.990 > 10 40 Na 0.74785898979208 0.65160812984700 0.50549208901182 22.990 > 10 41 Na 0.24785898979208 0.84839187015300 0.25549208901182 22.990 > 11 42 Na 0.74785898979208 0.84839187015300 0.25549208901182 22.990 > 11 43 Na 0.24785898979208 0.84839187015300 0.75549208901182 22.990 > 11 44 Na 0.74785898979208 0.84839187015300 0.75549208901182 22.990 > 11 45 Na 0.25214101020792 0.34839187015300 0.49450791098818 22.990 > 12 46 Na 0.75214101020792 0.34839187015300 0.49450791098818 22.990 > 12 47 Na 0.25214101020792 0.34839187015300 0.99450791098818 22.990 > 12 48 Na 0.75214101020792 0.34839187015300 0.99450791098818 22.990 > 12 *49 Si 0.42685207026825 0.00932975099609 0.44259870220243 28.085 > 13 50 Si 0.92685207026825 0.00932975099609 0.44259870220243 28.085 > 13 51 Si 0.42685207026825 0.00932975099609 0.94259870220243 28.085 > 13 52 Si 0.92685207026825 0.00932975099609 0.94259870220243 28.085 > 13 53 Si 0.07314792973175 0.50932975099609 0.30740129779757 28.085 > 14 54 Si 0.57314792973175 0.50932975099609 0.30740129779757 28.085 > 14 55 Si 0.07314792973175 0.50932975099609 0.80740129779757 28.085 > 14 56 Si 0.57314792973175 0.50932975099609 0.80740129779757 28.085 > 14 57 Si 0.07314792973175 0.99067024900391 0.05740129779757 28.085 > 15 58 Si 0.57314792973175 0.99067024900391 0.05740129779757 28.085 > 15 59 Si 0.07314792973175 0.99067024900391 0.55740129779757 28.085 > 15 60 Si 0.57314792973175 0.99067024900391 0.55740129779757 28.085 > 15 61 Si 0.42685207026825 0.49067024900391 0.19259870220243 28.085 > 16 62 Si 0.92685207026825 0.49067024900391 0.19259870220243 28.085 > 16 63 Si 0.42685207026825 0.49067024900391 0.69259870220243 28.085 > 16 64 Si 0.92685207026825 0.49067024900391 0.69259870220243 28.085 > 16 *65 Te 0.33223855334385 0.62865731472521 0.20991165752306 127.600 > 17 66 Te 0.83223855334385 0.62865731472521 0.20991165752306 127.600 > 17 67 Te 0.33223855334385 0.62865731472521 0.70991165752306 127.600 > 17 68 Te 0.83223855334385 0.62865731472521 0.70991165752306 127.600 > 17 69 Te 0.16776144665615 0.12865731472521 0.04008834247694 127.600 > 18 70 Te 0.66776144665615 0.12865731472521 0.04008834247694 127.600 > 18 71 Te 0.16776144665615 0.12865731472521 0.54008834247694 127.600 > 18 72 Te 0.66776144665615 0.12865731472521 0.54008834247694 127.600 > 18 73 Te 0.16776144665615 0.37134268527480 0.29008834247694 127.600 > 19 74 Te 0.66776144665615 0.37134268527480 0.29008834247694 127.600 > 19 75 Te 0.16776144665615 0.37134268527480 0.79008834247694 127.600 > 19 76 Te 0.66776144665615 0.37134268527480 0.79008834247694 127.600 > 19 77 Te 0.33223855334385 0.87134268527479 0.45991165752306 127.600 > 20 78 Te 0.83223855334385 0.87134268527479 0.45991165752306 127.600 > 20 79 Te 0.33223855334385 0.87134268527479 0.95991165752306 127.600 > 20 80 Te 0.83223855334385 0.87134268527479 0.95991165752306 127.600 > 20 *81 Te 0.42843699088556 0.52292758170693 0.05341897583628 127.600 > 21 82 Te 0.92843699088556 0.52292758170693 0.05341897583628 127.600 > 21 83 Te 0.42843699088556 0.52292758170693 0.55341897583628 127.600 > 21 84 Te 0.92843699088556 0.52292758170693 0.55341897583628 127.600 > 21 85 Te 0.07156300911444 0.02292758170693 0.19658102416372 127.600 > 22 86 Te 0.57156300911444 0.02292758170693 0.19658102416372 127.600 > 22 87 Te 0.07156300911444 0.02292758170693 0.69658102416372 127.600 > 22 88 Te 0.57156300911444 0.02292758170693 0.69658102416372 127.600 > 22 89 Te 0.07156300911444 0.47707241829307 0.44658102416372 127.600 > 23 90 Te 0.57156300911444 0.47707241829307 0.44658102416372 127.600 > 23 91 Te 0.07156300911444 0.47707241829307 0.94658102416372 127.600 > 23 92 Te 0.57156300911444 0.47707241829307 0.94658102416372 127.600 > 23 93 Te 0.42843699088556 0.97707241829307 0.30341897583628 127.600 > 24 94 Te 0.92843699088556 0.97707241829307 0.30341897583628 127.600 > 24 95 Te 0.42843699088556 0.97707241829307 0.80341897583628 127.600 > 24 96 Te 0.92843699088556 0.97707241829307 0.80341897583628 127.600 > 24 *97 Te 0.37323290952799 0.30551552137582 0.19296765256920 127.600 > 25 98 Te 0.87323290952799 0.30551552137582 0.19296765256920 127.600 > 25 99 Te 0.37323290952799 0.30551552137582 0.69296765256920 127.600 > 25 100 Te 0.87323290952799 0.30551552137582 0.69296765256920 127.600 > 25 101 Te 0.12676709047201 0.80551552137582 0.05703234743080 127.600 > 26 102 Te 0.62676709047201 0.80551552137582 0.05703234743080 127.600 > 26 103 Te 0.12676709047201 0.80551552137582 0.55703234743080 127.600 > 26 104 Te 0.62676709047201 0.80551552137582 0.55703234743080 127.600 > 26 105 Te 0.12676709047201 0.69448447862418 0.30703234743080 127.600 > 27 106 Te 0.62676709047201 0.69448447862418 0.30703234743080 127.600 > 27 107 Te 0.12676709047201 0.69448447862418 0.80703234743080 127.600 > 27 108 Te 0.62676709047201 0.69448447862418 0.80703234743080 127.600 > 27 109 Te 0.37323290952799 0.19448447862418 0.44296765256920 127.600 > 28 110 Te 0.87323290952799 0.19448447862418 0.44296765256920 127.600 > 28 111 Te 0.37323290952799 0.19448447862418 0.94296765256920 127.600 > 28 112 Te 0.87323290952799 0.19448447862418 0.94296765256920 127.600 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4623364 0.0000000 -0.1977860 0.0000000 6.5989444 0.0000000 -0.1977832 0.0000000 5.9970890 -------------------------- Born effective charges -------------------------- 1 Na 0.8944693 0.2434289 -0.0968518 0.1831385 1.3873936 -0.2976623 -0.0119870 -0.2289306 1.1131248 2 Na 0.8944693 -0.2434289 -0.0968518 -0.1831385 1.3873936 0.2976623 -0.0119870 0.2289306 1.1131248 3 Na 0.8944693 0.2434289 -0.0968518 0.1831385 1.3873936 -0.2976623 -0.0119870 -0.2289306 1.1131248 4 Na 0.8944693 -0.2434289 -0.0968518 -0.1831385 1.3873936 0.2976623 -0.0119870 0.2289306 1.1131248 5 Na 1.4197651 0.1369743 -0.1059538 0.0843884 1.0314602 -0.1513983 -0.2135583 -0.0382016 1.3636621 6 Na 1.4197651 -0.1369743 -0.1059538 -0.0843884 1.0314602 0.1513983 -0.2135583 0.0382016 1.3636621 7 Na 1.4197651 0.1369743 -0.1059538 0.0843884 1.0314602 -0.1513983 -0.2135583 -0.0382016 1.3636621 8 Na 1.4197651 -0.1369743 -0.1059538 -0.0843884 1.0314602 0.1513983 -0.2135583 0.0382016 1.3636621 9 Na 1.3014495 -0.0492174 0.2020259 0.0985882 1.2797917 0.0252118 0.2353166 0.0788094 1.2587822 10 Na 1.3014495 0.0492174 0.2020259 -0.0985882 1.2797917 -0.0252118 0.2353166 -0.0788094 1.2587822 11 Na 1.3014495 -0.0492174 0.2020259 0.0985882 1.2797917 0.0252118 0.2353166 0.0788094 1.2587822 12 Na 1.3014495 0.0492174 0.2020259 -0.0985882 1.2797917 -0.0252118 0.2353166 -0.0788094 1.2587822 13 Si 1.5364323 -0.0378929 -0.6610147 0.0894109 2.1582508 -0.0706184 -0.3522390 0.1714273 1.4644058 14 Si 1.5364323 0.0378929 -0.6610147 -0.0894109 2.1582508 0.0706184 -0.3522390 -0.1714273 1.4644058 15 Si 1.5364323 -0.0378929 -0.6610147 0.0894109 2.1582508 -0.0706184 -0.3522390 0.1714273 1.4644058 16 Si 1.5364323 0.0378929 -0.6610147 -0.0894109 2.1582508 0.0706184 -0.3522390 -0.1714273 1.4644058 17 Te -2.1830434 0.6447052 0.1301463 0.8060228 -1.8188820 -0.1673627 -0.0010833 -0.1459697 -1.4472713 18 Te -2.1830434 -0.6447052 0.1301463 -0.8060228 -1.8188820 0.1673627 -0.0010833 0.1459697 -1.4472713 19 Te -2.1830434 0.6447052 0.1301463 0.8060228 -1.8188820 -0.1673627 -0.0010833 -0.1459697 -1.4472713 20 Te -2.1830434 -0.6447052 0.1301463 -0.8060228 -1.8188820 0.1673627 -0.0010833 0.1459697 -1.4472713 21 Te -1.3949939 -0.1943285 0.2851015 -0.1388870 -1.5555097 0.0226803 0.1607953 0.1492165 -2.3627793 22 Te -1.3949939 0.1943285 0.2851015 0.1388870 -1.5555097 -0.0226803 0.1607953 -0.1492165 -2.3627793 23 Te -1.3949939 -0.1943285 0.2851015 -0.1388870 -1.5555097 0.0226803 0.1607953 0.1492165 -2.3627793 24 Te -1.3949939 0.1943285 0.2851015 0.1388870 -1.5555097 -0.0226803 0.1607953 -0.1492165 -2.3627793 25 Te -1.5740790 -0.6198639 0.2465466 -0.4944737 -2.4825045 -0.1638767 0.1827555 -0.0964798 -1.3899243 26 Te -1.5740790 0.6198639 0.2465466 0.4944737 -2.4825045 0.1638767 0.1827555 0.0964798 -1.3899243 27 Te -1.5740790 -0.6198639 0.2465466 -0.4944737 -2.4825045 -0.1638767 0.1827555 -0.0964798 -1.3899243 28 Te -1.5740790 0.6198639 0.2465466 0.4944737 -2.4825045 0.1638767 0.1827555 0.0964798 -1.3899243 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 880 - Time: 0.980 Solver_block: 200 / 880 - Time: 0.892 Solver_block: 300 / 880 - Time: 0.894 Solver_block: 400 / 880 - Time: 0.894 Solver_block: 500 / 880 - Time: 0.895 Solver_block: 600 / 880 - Time: 0.895 Solver_block: 700 / 880 - Time: 0.892 Solver_block: 800 / 880 - Time: 0.891 Solver_block: 880 / 880 - Time: 0.797 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.214 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:11:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:11:39]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.711535265865345 0.000000000000000 0.000000000000000 b 0.000000000000000 12.596224919999999 0.000000000000000 c -4.382777421260349 0.000000000000000 7.703462211873159 Atomic positions (fractional): 1 Na 0.03417804280214 0.22779485632577 0.74463263497236 22.990 2 Na 0.96582195719786 0.72779485632577 0.75536736502764 22.990 3 Na 0.96582195719786 0.77220514367423 0.25536736502764 22.990 4 Na 0.03417804280214 0.27220514367423 0.24463263497236 22.990 5 Na 0.27758417795098 0.55809184695169 0.30307553226425 22.990 6 Na 0.72241582204902 0.05809184695169 0.19692446773575 22.990 7 Na 0.72241582204902 0.44190815304831 0.69692446773575 22.990 8 Na 0.27758417795098 0.94190815304831 0.80307553226425 22.990 9 Na 0.50428202041584 0.15160812984700 0.48901582197635 22.990 10 Na 0.49571797958415 0.65160812984700 0.01098417802365 22.990 11 Na 0.49571797958415 0.84839187015300 0.51098417802365 22.990 12 Na 0.50428202041584 0.34839187015300 0.98901582197635 22.990 13 Si 0.85370414053649 0.00932975099609 0.88519740440486 28.085 14 Si 0.14629585946351 0.50932975099609 0.61480259559514 28.085 15 Si 0.14629585946351 0.99067024900391 0.11480259559514 28.085 16 Si 0.85370414053649 0.49067024900391 0.38519740440486 28.085 17 Te 0.66447710668770 0.62865731472521 0.41982331504612 127.600 18 Te 0.33552289331230 0.12865731472521 0.08017668495388 127.600 19 Te 0.33552289331230 0.37134268527480 0.58017668495388 127.600 20 Te 0.66447710668770 0.87134268527479 0.91982331504612 127.600 21 Te 0.85687398177111 0.52292758170693 0.10683795167257 127.600 22 Te 0.14312601822888 0.02292758170693 0.39316204832743 127.600 23 Te 0.14312601822888 0.47707241829307 0.89316204832743 127.600 24 Te 0.85687398177111 0.97707241829307 0.60683795167257 127.600 25 Te 0.74646581905599 0.30551552137582 0.38593530513840 127.600 26 Te 0.25353418094401 0.80551552137582 0.11406469486160 127.600 27 Te 0.25353418094401 0.69448447862418 0.61406469486160 127.600 28 Te 0.74646581905599 0.19448447862418 0.88593530513840 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.423070531730691 0.000000000000000 0.000000000000000 b 0.000000000000000 12.596224919999999 0.000000000000000 c -8.765554842520698 0.000000000000000 15.406924423746318 Atomic positions (fractional): 1 Na 0.01708902140107 0.22779485632577 0.37231631748618 22.990 > 1 2 Na 0.51708902140107 0.22779485632577 0.37231631748618 22.990 > 1 3 Na 0.01708902140107 0.22779485632577 0.87231631748618 22.990 > 1 4 Na 0.51708902140107 0.22779485632577 0.87231631748618 22.990 > 1 5 Na 0.48291097859893 0.72779485632577 0.37768368251382 22.990 > 5 6 Na 0.98291097859893 0.72779485632577 0.37768368251382 22.990 > 5 7 Na 0.48291097859893 0.72779485632577 0.87768368251382 22.990 > 5 8 Na 0.98291097859893 0.72779485632577 0.87768368251382 22.990 > 5 9 Na 0.48291097859893 0.77220514367423 0.12768368251382 22.990 > 9 10 Na 0.98291097859893 0.77220514367423 0.12768368251382 22.990 > 9 11 Na 0.48291097859893 0.77220514367423 0.62768368251382 22.990 > 9 12 Na 0.98291097859893 0.77220514367423 0.62768368251382 22.990 > 9 13 Na 0.01708902140107 0.27220514367423 0.12231631748618 22.990 > 13 14 Na 0.51708902140107 0.27220514367423 0.12231631748618 22.990 > 13 15 Na 0.01708902140107 0.27220514367423 0.62231631748618 22.990 > 13 16 Na 0.51708902140107 0.27220514367423 0.62231631748618 22.990 > 13 17 Na 0.13879208897549 0.55809184695169 0.15153776613213 22.990 > 17 18 Na 0.63879208897549 0.55809184695169 0.15153776613213 22.990 > 17 19 Na 0.13879208897549 0.55809184695169 0.65153776613213 22.990 > 17 20 Na 0.63879208897549 0.55809184695169 0.65153776613213 22.990 > 17 21 Na 0.36120791102451 0.05809184695169 0.09846223386787 22.990 > 21 22 Na 0.86120791102451 0.05809184695169 0.09846223386787 22.990 > 21 23 Na 0.36120791102451 0.05809184695169 0.59846223386787 22.990 > 21 24 Na 0.86120791102451 0.05809184695169 0.59846223386787 22.990 > 21 25 Na 0.36120791102451 0.44190815304831 0.34846223386787 22.990 > 25 26 Na 0.86120791102451 0.44190815304831 0.34846223386787 22.990 > 25 27 Na 0.36120791102451 0.44190815304831 0.84846223386787 22.990 > 25 28 Na 0.86120791102451 0.44190815304831 0.84846223386787 22.990 > 25 29 Na 0.13879208897549 0.94190815304831 0.40153776613213 22.990 > 29 30 Na 0.63879208897549 0.94190815304831 0.40153776613213 22.990 > 29 31 Na 0.13879208897549 0.94190815304831 0.90153776613213 22.990 > 29 32 Na 0.63879208897549 0.94190815304831 0.90153776613213 22.990 > 29 33 Na 0.25214101020792 0.15160812984700 0.24450791098818 22.990 > 33 34 Na 0.75214101020792 0.15160812984700 0.24450791098818 22.990 > 33 35 Na 0.25214101020792 0.15160812984700 0.74450791098818 22.990 > 33 36 Na 0.75214101020792 0.15160812984700 0.74450791098818 22.990 > 33 37 Na 0.24785898979208 0.65160812984700 0.00549208901182 22.990 > 37 38 Na 0.74785898979208 0.65160812984700 0.00549208901182 22.990 > 37 39 Na 0.24785898979208 0.65160812984700 0.50549208901182 22.990 > 37 40 Na 0.74785898979208 0.65160812984700 0.50549208901182 22.990 > 37 41 Na 0.24785898979208 0.84839187015300 0.25549208901182 22.990 > 41 42 Na 0.74785898979208 0.84839187015300 0.25549208901182 22.990 > 41 43 Na 0.24785898979208 0.84839187015300 0.75549208901182 22.990 > 41 44 Na 0.74785898979208 0.84839187015300 0.75549208901182 22.990 > 41 45 Na 0.25214101020792 0.34839187015300 0.49450791098818 22.990 > 45 46 Na 0.75214101020792 0.34839187015300 0.49450791098818 22.990 > 45 47 Na 0.25214101020792 0.34839187015300 0.99450791098818 22.990 > 45 48 Na 0.75214101020792 0.34839187015300 0.99450791098818 22.990 > 45 49 Si 0.42685207026825 0.00932975099609 0.44259870220243 28.085 > 49 50 Si 0.92685207026825 0.00932975099609 0.44259870220243 28.085 > 49 51 Si 0.42685207026825 0.00932975099609 0.94259870220243 28.085 > 49 52 Si 0.92685207026825 0.00932975099609 0.94259870220243 28.085 > 49 53 Si 0.07314792973175 0.50932975099609 0.30740129779757 28.085 > 53 54 Si 0.57314792973175 0.50932975099609 0.30740129779757 28.085 > 53 55 Si 0.07314792973175 0.50932975099609 0.80740129779757 28.085 > 53 56 Si 0.57314792973175 0.50932975099609 0.80740129779757 28.085 > 53 57 Si 0.07314792973175 0.99067024900391 0.05740129779757 28.085 > 57 58 Si 0.57314792973175 0.99067024900391 0.05740129779757 28.085 > 57 59 Si 0.07314792973175 0.99067024900391 0.55740129779757 28.085 > 57 60 Si 0.57314792973175 0.99067024900391 0.55740129779757 28.085 > 57 61 Si 0.42685207026825 0.49067024900391 0.19259870220243 28.085 > 61 62 Si 0.92685207026825 0.49067024900391 0.19259870220243 28.085 > 61 63 Si 0.42685207026825 0.49067024900391 0.69259870220243 28.085 > 61 64 Si 0.92685207026825 0.49067024900391 0.69259870220243 28.085 > 61 65 Te 0.33223855334385 0.62865731472521 0.20991165752306 127.600 > 65 66 Te 0.83223855334385 0.62865731472521 0.20991165752306 127.600 > 65 67 Te 0.33223855334385 0.62865731472521 0.70991165752306 127.600 > 65 68 Te 0.83223855334385 0.62865731472521 0.70991165752306 127.600 > 65 69 Te 0.16776144665615 0.12865731472521 0.04008834247694 127.600 > 69 70 Te 0.66776144665615 0.12865731472521 0.04008834247694 127.600 > 69 71 Te 0.16776144665615 0.12865731472521 0.54008834247694 127.600 > 69 72 Te 0.66776144665615 0.12865731472521 0.54008834247694 127.600 > 69 73 Te 0.16776144665615 0.37134268527480 0.29008834247694 127.600 > 73 74 Te 0.66776144665615 0.37134268527480 0.29008834247694 127.600 > 73 75 Te 0.16776144665615 0.37134268527480 0.79008834247694 127.600 > 73 76 Te 0.66776144665615 0.37134268527480 0.79008834247694 127.600 > 73 77 Te 0.33223855334385 0.87134268527479 0.45991165752306 127.600 > 77 78 Te 0.83223855334385 0.87134268527479 0.45991165752306 127.600 > 77 79 Te 0.33223855334385 0.87134268527479 0.95991165752306 127.600 > 77 80 Te 0.83223855334385 0.87134268527479 0.95991165752306 127.600 > 77 81 Te 0.42843699088556 0.52292758170693 0.05341897583628 127.600 > 81 82 Te 0.92843699088556 0.52292758170693 0.05341897583628 127.600 > 81 83 Te 0.42843699088556 0.52292758170693 0.55341897583628 127.600 > 81 84 Te 0.92843699088556 0.52292758170693 0.55341897583628 127.600 > 81 85 Te 0.07156300911444 0.02292758170693 0.19658102416372 127.600 > 85 86 Te 0.57156300911444 0.02292758170693 0.19658102416372 127.600 > 85 87 Te 0.07156300911444 0.02292758170693 0.69658102416372 127.600 > 85 88 Te 0.57156300911444 0.02292758170693 0.69658102416372 127.600 > 85 89 Te 0.07156300911444 0.47707241829307 0.44658102416372 127.600 > 89 90 Te 0.57156300911444 0.47707241829307 0.44658102416372 127.600 > 89 91 Te 0.07156300911444 0.47707241829307 0.94658102416372 127.600 > 89 92 Te 0.57156300911444 0.47707241829307 0.94658102416372 127.600 > 89 93 Te 0.42843699088556 0.97707241829307 0.30341897583628 127.600 > 93 94 Te 0.92843699088556 0.97707241829307 0.30341897583628 127.600 > 93 95 Te 0.42843699088556 0.97707241829307 0.80341897583628 127.600 > 93 96 Te 0.92843699088556 0.97707241829307 0.80341897583628 127.600 > 93 97 Te 0.37323290952799 0.30551552137582 0.19296765256920 127.600 > 97 98 Te 0.87323290952799 0.30551552137582 0.19296765256920 127.600 > 97 99 Te 0.37323290952799 0.30551552137582 0.69296765256920 127.600 > 97 100 Te 0.87323290952799 0.30551552137582 0.69296765256920 127.600 > 97 101 Te 0.12676709047201 0.80551552137582 0.05703234743080 127.600 > 101 102 Te 0.62676709047201 0.80551552137582 0.05703234743080 127.600 > 101 103 Te 0.12676709047201 0.80551552137582 0.55703234743080 127.600 > 101 104 Te 0.62676709047201 0.80551552137582 0.55703234743080 127.600 > 101 105 Te 0.12676709047201 0.69448447862418 0.30703234743080 127.600 > 105 106 Te 0.62676709047201 0.69448447862418 0.30703234743080 127.600 > 105 107 Te 0.12676709047201 0.69448447862418 0.80703234743080 127.600 > 105 108 Te 0.62676709047201 0.69448447862418 0.80703234743080 127.600 > 105 109 Te 0.37323290952799 0.19448447862418 0.44296765256920 127.600 > 109 110 Te 0.87323290952799 0.19448447862418 0.44296765256920 127.600 > 109 111 Te 0.37323290952799 0.19448447862418 0.94296765256920 127.600 > 109 112 Te 0.87323290952799 0.19448447862418 0.94296765256920 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4623364 0.0000000 -0.1977860 0.0000000 6.5989444 0.0000000 -0.1977832 0.0000000 5.9970890 -------------------------- Born effective charges -------------------------- 1 Na 0.8944693 0.2434289 -0.0968518 0.1831385 1.3873936 -0.2976623 -0.0119870 -0.2289306 1.1131248 2 Na 0.8944693 -0.2434289 -0.0968518 -0.1831385 1.3873936 0.2976623 -0.0119870 0.2289306 1.1131248 3 Na 0.8944693 0.2434289 -0.0968518 0.1831385 1.3873936 -0.2976623 -0.0119870 -0.2289306 1.1131248 4 Na 0.8944693 -0.2434289 -0.0968518 -0.1831385 1.3873936 0.2976623 -0.0119870 0.2289306 1.1131248 5 Na 1.4197651 0.1369743 -0.1059538 0.0843884 1.0314602 -0.1513983 -0.2135583 -0.0382016 1.3636621 6 Na 1.4197651 -0.1369743 -0.1059538 -0.0843884 1.0314602 0.1513983 -0.2135583 0.0382016 1.3636621 7 Na 1.4197651 0.1369743 -0.1059538 0.0843884 1.0314602 -0.1513983 -0.2135583 -0.0382016 1.3636621 8 Na 1.4197651 -0.1369743 -0.1059538 -0.0843884 1.0314602 0.1513983 -0.2135583 0.0382016 1.3636621 9 Na 1.3014495 -0.0492174 0.2020259 0.0985882 1.2797917 0.0252118 0.2353166 0.0788094 1.2587822 10 Na 1.3014495 0.0492174 0.2020259 -0.0985882 1.2797917 -0.0252118 0.2353166 -0.0788094 1.2587822 11 Na 1.3014495 -0.0492174 0.2020259 0.0985882 1.2797917 0.0252118 0.2353166 0.0788094 1.2587822 12 Na 1.3014495 0.0492174 0.2020259 -0.0985882 1.2797917 -0.0252118 0.2353166 -0.0788094 1.2587822 13 Si 1.5364323 -0.0378929 -0.6610147 0.0894109 2.1582508 -0.0706184 -0.3522390 0.1714273 1.4644058 14 Si 1.5364323 0.0378929 -0.6610147 -0.0894109 2.1582508 0.0706184 -0.3522390 -0.1714273 1.4644058 15 Si 1.5364323 -0.0378929 -0.6610147 0.0894109 2.1582508 -0.0706184 -0.3522390 0.1714273 1.4644058 16 Si 1.5364323 0.0378929 -0.6610147 -0.0894109 2.1582508 0.0706184 -0.3522390 -0.1714273 1.4644058 17 Te -2.1830434 0.6447052 0.1301463 0.8060228 -1.8188820 -0.1673627 -0.0010833 -0.1459697 -1.4472713 18 Te -2.1830434 -0.6447052 0.1301463 -0.8060228 -1.8188820 0.1673627 -0.0010833 0.1459697 -1.4472713 19 Te -2.1830434 0.6447052 0.1301463 0.8060228 -1.8188820 -0.1673627 -0.0010833 -0.1459697 -1.4472713 20 Te -2.1830434 -0.6447052 0.1301463 -0.8060228 -1.8188820 0.1673627 -0.0010833 0.1459697 -1.4472713 21 Te -1.3949939 -0.1943285 0.2851015 -0.1388870 -1.5555097 0.0226803 0.1607953 0.1492165 -2.3627793 22 Te -1.3949939 0.1943285 0.2851015 0.1388870 -1.5555097 -0.0226803 0.1607953 -0.1492165 -2.3627793 23 Te -1.3949939 -0.1943285 0.2851015 -0.1388870 -1.5555097 0.0226803 0.1607953 0.1492165 -2.3627793 24 Te -1.3949939 0.1943285 0.2851015 0.1388870 -1.5555097 -0.0226803 0.1607953 -0.1492165 -2.3627793 25 Te -1.5740790 -0.6198639 0.2465466 -0.4944737 -2.4825045 -0.1638767 0.1827555 -0.0964798 -1.3899243 26 Te -1.5740790 0.6198639 0.2465466 0.4944737 -2.4825045 0.1638767 0.1827555 0.0964798 -1.3899243 27 Te -1.5740790 -0.6198639 0.2465466 -0.4944737 -2.4825045 -0.1638767 0.1827555 -0.0964798 -1.3899243 28 Te -1.5740790 0.6198639 0.2465466 0.4944737 -2.4825045 0.1638767 0.1827555 0.0964798 -1.3899243 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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 (yx) -0.00000000 (yx) 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 03:12:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:12:14]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.711535265865345 0.000000000000000 0.000000000000000 b 0.000000000000000 12.596224919999999 0.000000000000000 c -4.382777421260349 0.000000000000000 7.703462211873159 Atomic positions (fractional): 1 Na 0.03417804280214 0.22779485632577 0.74463263497236 22.990 2 Na 0.96582195719786 0.72779485632577 0.75536736502764 22.990 3 Na 0.96582195719786 0.77220514367423 0.25536736502764 22.990 4 Na 0.03417804280214 0.27220514367423 0.24463263497236 22.990 5 Na 0.27758417795098 0.55809184695169 0.30307553226425 22.990 6 Na 0.72241582204902 0.05809184695169 0.19692446773575 22.990 7 Na 0.72241582204902 0.44190815304831 0.69692446773575 22.990 8 Na 0.27758417795098 0.94190815304831 0.80307553226425 22.990 9 Na 0.50428202041584 0.15160812984700 0.48901582197635 22.990 10 Na 0.49571797958415 0.65160812984700 0.01098417802365 22.990 11 Na 0.49571797958415 0.84839187015300 0.51098417802365 22.990 12 Na 0.50428202041584 0.34839187015300 0.98901582197635 22.990 13 Si 0.85370414053649 0.00932975099609 0.88519740440486 28.085 14 Si 0.14629585946351 0.50932975099609 0.61480259559514 28.085 15 Si 0.14629585946351 0.99067024900391 0.11480259559514 28.085 16 Si 0.85370414053649 0.49067024900391 0.38519740440486 28.085 17 Te 0.66447710668770 0.62865731472521 0.41982331504612 127.600 18 Te 0.33552289331230 0.12865731472521 0.08017668495388 127.600 19 Te 0.33552289331230 0.37134268527480 0.58017668495388 127.600 20 Te 0.66447710668770 0.87134268527479 0.91982331504612 127.600 21 Te 0.85687398177111 0.52292758170693 0.10683795167257 127.600 22 Te 0.14312601822888 0.02292758170693 0.39316204832743 127.600 23 Te 0.14312601822888 0.47707241829307 0.89316204832743 127.600 24 Te 0.85687398177111 0.97707241829307 0.60683795167257 127.600 25 Te 0.74646581905599 0.30551552137582 0.38593530513840 127.600 26 Te 0.25353418094401 0.80551552137582 0.11406469486160 127.600 27 Te 0.25353418094401 0.69448447862418 0.61406469486160 127.600 28 Te 0.74646581905599 0.19448447862418 0.88593530513840 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.423070531730691 0.000000000000000 0.000000000000000 b 0.000000000000000 12.596224919999999 0.000000000000000 c -8.765554842520698 0.000000000000000 15.406924423746318 Atomic positions (fractional): 1 Na 0.01708902140107 0.22779485632577 0.37231631748618 22.990 > 1 2 Na 0.51708902140107 0.22779485632577 0.37231631748618 22.990 > 1 3 Na 0.01708902140107 0.22779485632577 0.87231631748618 22.990 > 1 4 Na 0.51708902140107 0.22779485632577 0.87231631748618 22.990 > 1 5 Na 0.48291097859893 0.72779485632577 0.37768368251382 22.990 > 5 6 Na 0.98291097859893 0.72779485632577 0.37768368251382 22.990 > 5 7 Na 0.48291097859893 0.72779485632577 0.87768368251382 22.990 > 5 8 Na 0.98291097859893 0.72779485632577 0.87768368251382 22.990 > 5 9 Na 0.48291097859893 0.77220514367423 0.12768368251382 22.990 > 9 10 Na 0.98291097859893 0.77220514367423 0.12768368251382 22.990 > 9 11 Na 0.48291097859893 0.77220514367423 0.62768368251382 22.990 > 9 12 Na 0.98291097859893 0.77220514367423 0.62768368251382 22.990 > 9 13 Na 0.01708902140107 0.27220514367423 0.12231631748618 22.990 > 13 14 Na 0.51708902140107 0.27220514367423 0.12231631748618 22.990 > 13 15 Na 0.01708902140107 0.27220514367423 0.62231631748618 22.990 > 13 16 Na 0.51708902140107 0.27220514367423 0.62231631748618 22.990 > 13 17 Na 0.13879208897549 0.55809184695169 0.15153776613213 22.990 > 17 18 Na 0.63879208897549 0.55809184695169 0.15153776613213 22.990 > 17 19 Na 0.13879208897549 0.55809184695169 0.65153776613213 22.990 > 17 20 Na 0.63879208897549 0.55809184695169 0.65153776613213 22.990 > 17 21 Na 0.36120791102451 0.05809184695169 0.09846223386787 22.990 > 21 22 Na 0.86120791102451 0.05809184695169 0.09846223386787 22.990 > 21 23 Na 0.36120791102451 0.05809184695169 0.59846223386787 22.990 > 21 24 Na 0.86120791102451 0.05809184695169 0.59846223386787 22.990 > 21 25 Na 0.36120791102451 0.44190815304831 0.34846223386787 22.990 > 25 26 Na 0.86120791102451 0.44190815304831 0.34846223386787 22.990 > 25 27 Na 0.36120791102451 0.44190815304831 0.84846223386787 22.990 > 25 28 Na 0.86120791102451 0.44190815304831 0.84846223386787 22.990 > 25 29 Na 0.13879208897549 0.94190815304831 0.40153776613213 22.990 > 29 30 Na 0.63879208897549 0.94190815304831 0.40153776613213 22.990 > 29 31 Na 0.13879208897549 0.94190815304831 0.90153776613213 22.990 > 29 32 Na 0.63879208897549 0.94190815304831 0.90153776613213 22.990 > 29 33 Na 0.25214101020792 0.15160812984700 0.24450791098818 22.990 > 33 34 Na 0.75214101020792 0.15160812984700 0.24450791098818 22.990 > 33 35 Na 0.25214101020792 0.15160812984700 0.74450791098818 22.990 > 33 36 Na 0.75214101020792 0.15160812984700 0.74450791098818 22.990 > 33 37 Na 0.24785898979208 0.65160812984700 0.00549208901182 22.990 > 37 38 Na 0.74785898979208 0.65160812984700 0.00549208901182 22.990 > 37 39 Na 0.24785898979208 0.65160812984700 0.50549208901182 22.990 > 37 40 Na 0.74785898979208 0.65160812984700 0.50549208901182 22.990 > 37 41 Na 0.24785898979208 0.84839187015300 0.25549208901182 22.990 > 41 42 Na 0.74785898979208 0.84839187015300 0.25549208901182 22.990 > 41 43 Na 0.24785898979208 0.84839187015300 0.75549208901182 22.990 > 41 44 Na 0.74785898979208 0.84839187015300 0.75549208901182 22.990 > 41 45 Na 0.25214101020792 0.34839187015300 0.49450791098818 22.990 > 45 46 Na 0.75214101020792 0.34839187015300 0.49450791098818 22.990 > 45 47 Na 0.25214101020792 0.34839187015300 0.99450791098818 22.990 > 45 48 Na 0.75214101020792 0.34839187015300 0.99450791098818 22.990 > 45 49 Si 0.42685207026825 0.00932975099609 0.44259870220243 28.085 > 49 50 Si 0.92685207026825 0.00932975099609 0.44259870220243 28.085 > 49 51 Si 0.42685207026825 0.00932975099609 0.94259870220243 28.085 > 49 52 Si 0.92685207026825 0.00932975099609 0.94259870220243 28.085 > 49 53 Si 0.07314792973175 0.50932975099609 0.30740129779757 28.085 > 53 54 Si 0.57314792973175 0.50932975099609 0.30740129779757 28.085 > 53 55 Si 0.07314792973175 0.50932975099609 0.80740129779757 28.085 > 53 56 Si 0.57314792973175 0.50932975099609 0.80740129779757 28.085 > 53 57 Si 0.07314792973175 0.99067024900391 0.05740129779757 28.085 > 57 58 Si 0.57314792973175 0.99067024900391 0.05740129779757 28.085 > 57 59 Si 0.07314792973175 0.99067024900391 0.55740129779757 28.085 > 57 60 Si 0.57314792973175 0.99067024900391 0.55740129779757 28.085 > 57 61 Si 0.42685207026825 0.49067024900391 0.19259870220243 28.085 > 61 62 Si 0.92685207026825 0.49067024900391 0.19259870220243 28.085 > 61 63 Si 0.42685207026825 0.49067024900391 0.69259870220243 28.085 > 61 64 Si 0.92685207026825 0.49067024900391 0.69259870220243 28.085 > 61 65 Te 0.33223855334385 0.62865731472521 0.20991165752306 127.600 > 65 66 Te 0.83223855334385 0.62865731472521 0.20991165752306 127.600 > 65 67 Te 0.33223855334385 0.62865731472521 0.70991165752306 127.600 > 65 68 Te 0.83223855334385 0.62865731472521 0.70991165752306 127.600 > 65 69 Te 0.16776144665615 0.12865731472521 0.04008834247694 127.600 > 69 70 Te 0.66776144665615 0.12865731472521 0.04008834247694 127.600 > 69 71 Te 0.16776144665615 0.12865731472521 0.54008834247694 127.600 > 69 72 Te 0.66776144665615 0.12865731472521 0.54008834247694 127.600 > 69 73 Te 0.16776144665615 0.37134268527480 0.29008834247694 127.600 > 73 74 Te 0.66776144665615 0.37134268527480 0.29008834247694 127.600 > 73 75 Te 0.16776144665615 0.37134268527480 0.79008834247694 127.600 > 73 76 Te 0.66776144665615 0.37134268527480 0.79008834247694 127.600 > 73 77 Te 0.33223855334385 0.87134268527479 0.45991165752306 127.600 > 77 78 Te 0.83223855334385 0.87134268527479 0.45991165752306 127.600 > 77 79 Te 0.33223855334385 0.87134268527479 0.95991165752306 127.600 > 77 80 Te 0.83223855334385 0.87134268527479 0.95991165752306 127.600 > 77 81 Te 0.42843699088556 0.52292758170693 0.05341897583628 127.600 > 81 82 Te 0.92843699088556 0.52292758170693 0.05341897583628 127.600 > 81 83 Te 0.42843699088556 0.52292758170693 0.55341897583628 127.600 > 81 84 Te 0.92843699088556 0.52292758170693 0.55341897583628 127.600 > 81 85 Te 0.07156300911444 0.02292758170693 0.19658102416372 127.600 > 85 86 Te 0.57156300911444 0.02292758170693 0.19658102416372 127.600 > 85 87 Te 0.07156300911444 0.02292758170693 0.69658102416372 127.600 > 85 88 Te 0.57156300911444 0.02292758170693 0.69658102416372 127.600 > 85 89 Te 0.07156300911444 0.47707241829307 0.44658102416372 127.600 > 89 90 Te 0.57156300911444 0.47707241829307 0.44658102416372 127.600 > 89 91 Te 0.07156300911444 0.47707241829307 0.94658102416372 127.600 > 89 92 Te 0.57156300911444 0.47707241829307 0.94658102416372 127.600 > 89 93 Te 0.42843699088556 0.97707241829307 0.30341897583628 127.600 > 93 94 Te 0.92843699088556 0.97707241829307 0.30341897583628 127.600 > 93 95 Te 0.42843699088556 0.97707241829307 0.80341897583628 127.600 > 93 96 Te 0.92843699088556 0.97707241829307 0.80341897583628 127.600 > 93 97 Te 0.37323290952799 0.30551552137582 0.19296765256920 127.600 > 97 98 Te 0.87323290952799 0.30551552137582 0.19296765256920 127.600 > 97 99 Te 0.37323290952799 0.30551552137582 0.69296765256920 127.600 > 97 100 Te 0.87323290952799 0.30551552137582 0.69296765256920 127.600 > 97 101 Te 0.12676709047201 0.80551552137582 0.05703234743080 127.600 > 101 102 Te 0.62676709047201 0.80551552137582 0.05703234743080 127.600 > 101 103 Te 0.12676709047201 0.80551552137582 0.55703234743080 127.600 > 101 104 Te 0.62676709047201 0.80551552137582 0.55703234743080 127.600 > 101 105 Te 0.12676709047201 0.69448447862418 0.30703234743080 127.600 > 105 106 Te 0.62676709047201 0.69448447862418 0.30703234743080 127.600 > 105 107 Te 0.12676709047201 0.69448447862418 0.80703234743080 127.600 > 105 108 Te 0.62676709047201 0.69448447862418 0.80703234743080 127.600 > 105 109 Te 0.37323290952799 0.19448447862418 0.44296765256920 127.600 > 109 110 Te 0.87323290952799 0.19448447862418 0.44296765256920 127.600 > 109 111 Te 0.37323290952799 0.19448447862418 0.94296765256920 127.600 > 109 112 Te 0.87323290952799 0.19448447862418 0.94296765256920 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4623364 0.0000000 -0.1977860 0.0000000 6.5989444 0.0000000 -0.1977832 0.0000000 5.9970890 -------------------------- Born effective charges -------------------------- 1 Na 0.8944693 0.2434289 -0.0968518 0.1831385 1.3873936 -0.2976623 -0.0119870 -0.2289306 1.1131248 2 Na 0.8944693 -0.2434289 -0.0968518 -0.1831385 1.3873936 0.2976623 -0.0119870 0.2289306 1.1131248 3 Na 0.8944693 0.2434289 -0.0968518 0.1831385 1.3873936 -0.2976623 -0.0119870 -0.2289306 1.1131248 4 Na 0.8944693 -0.2434289 -0.0968518 -0.1831385 1.3873936 0.2976623 -0.0119870 0.2289306 1.1131248 5 Na 1.4197651 0.1369743 -0.1059538 0.0843884 1.0314602 -0.1513983 -0.2135583 -0.0382016 1.3636621 6 Na 1.4197651 -0.1369743 -0.1059538 -0.0843884 1.0314602 0.1513983 -0.2135583 0.0382016 1.3636621 7 Na 1.4197651 0.1369743 -0.1059538 0.0843884 1.0314602 -0.1513983 -0.2135583 -0.0382016 1.3636621 8 Na 1.4197651 -0.1369743 -0.1059538 -0.0843884 1.0314602 0.1513983 -0.2135583 0.0382016 1.3636621 9 Na 1.3014495 -0.0492174 0.2020259 0.0985882 1.2797917 0.0252118 0.2353166 0.0788094 1.2587822 10 Na 1.3014495 0.0492174 0.2020259 -0.0985882 1.2797917 -0.0252118 0.2353166 -0.0788094 1.2587822 11 Na 1.3014495 -0.0492174 0.2020259 0.0985882 1.2797917 0.0252118 0.2353166 0.0788094 1.2587822 12 Na 1.3014495 0.0492174 0.2020259 -0.0985882 1.2797917 -0.0252118 0.2353166 -0.0788094 1.2587822 13 Si 1.5364323 -0.0378929 -0.6610147 0.0894109 2.1582508 -0.0706184 -0.3522390 0.1714273 1.4644058 14 Si 1.5364323 0.0378929 -0.6610147 -0.0894109 2.1582508 0.0706184 -0.3522390 -0.1714273 1.4644058 15 Si 1.5364323 -0.0378929 -0.6610147 0.0894109 2.1582508 -0.0706184 -0.3522390 0.1714273 1.4644058 16 Si 1.5364323 0.0378929 -0.6610147 -0.0894109 2.1582508 0.0706184 -0.3522390 -0.1714273 1.4644058 17 Te -2.1830434 0.6447052 0.1301463 0.8060228 -1.8188820 -0.1673627 -0.0010833 -0.1459697 -1.4472713 18 Te -2.1830434 -0.6447052 0.1301463 -0.8060228 -1.8188820 0.1673627 -0.0010833 0.1459697 -1.4472713 19 Te -2.1830434 0.6447052 0.1301463 0.8060228 -1.8188820 -0.1673627 -0.0010833 -0.1459697 -1.4472713 20 Te -2.1830434 -0.6447052 0.1301463 -0.8060228 -1.8188820 0.1673627 -0.0010833 0.1459697 -1.4472713 21 Te -1.3949939 -0.1943285 0.2851015 -0.1388870 -1.5555097 0.0226803 0.1607953 0.1492165 -2.3627793 22 Te -1.3949939 0.1943285 0.2851015 0.1388870 -1.5555097 -0.0226803 0.1607953 -0.1492165 -2.3627793 23 Te -1.3949939 -0.1943285 0.2851015 -0.1388870 -1.5555097 0.0226803 0.1607953 0.1492165 -2.3627793 24 Te -1.3949939 0.1943285 0.2851015 0.1388870 -1.5555097 -0.0226803 0.1607953 -0.1492165 -2.3627793 25 Te -1.5740790 -0.6198639 0.2465466 -0.4944737 -2.4825045 -0.1638767 0.1827555 -0.0964798 -1.3899243 26 Te -1.5740790 0.6198639 0.2465466 0.4944737 -2.4825045 0.1638767 0.1827555 0.0964798 -1.3899243 27 Te -1.5740790 -0.6198639 0.2465466 -0.4944737 -2.4825045 -0.1638767 0.1827555 -0.0964798 -1.3899243 28 Te -1.5740790 0.6198639 0.2465466 0.4944737 -2.4825045 0.1638767 0.1827555 0.0964798 -1.3899243 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 6 ] 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: 0.44, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 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 0.527 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 0.956 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.165 ( 0.000 0.000 0.000) 0.000 1.247 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.278 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 10.514 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 10.793 ( 0.000 0.000 0.000) 0.000 10.879 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.740 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 13.982 0.000 4.249) 14.613 0.330 ( 12.724 0.000 10.844) 16.718 0.521 ( 2.675 0.000 -5.496) 6.112 0.609 ( 22.979 0.000 21.062) 31.171 0.866 ( 1.365 0.000 -0.968) 1.673 0.911 ( -1.607 0.000 0.446) 1.667 0.975 ( -1.027 0.000 -2.151) 2.384 1.045 ( 4.219 0.000 1.796) 4.586 1.188 ( 0.637 0.000 3.384) 3.443 1.233 ( -1.247 0.000 -2.559) 2.846 1.243 ( 0.216 0.000 -0.561) 0.601 1.292 ( 1.579 0.000 0.069) 1.580 1.508 ( -4.681 0.000 -3.819) 6.042 1.520 ( 2.446 0.000 -0.486) 2.493 1.612 ( -2.598 0.000 -1.893) 3.215 1.651 ( -2.388 0.000 -7.657) 8.020 1.748 ( -3.772 0.000 1.281) 3.984 1.775 ( -1.471 0.000 -0.169) 1.481 1.816 ( -0.691 0.000 -0.161) 0.710 1.882 ( -2.688 0.000 2.128) 3.428 1.962 ( 0.352 0.000 5.210) 5.222 2.007 ( -0.945 0.000 0.027) 0.945 2.060 ( -1.340 0.000 -2.315) 2.675 2.103 ( 0.029 0.000 -0.698) 0.699 2.154 ( 2.770 0.000 5.273) 5.956 2.176 ( 1.398 0.000 -0.454) 1.470 2.216 ( -2.358 0.000 -3.007) 3.821 2.233 ( 0.015 0.000 0.567) 0.567 2.243 ( 4.878 0.000 -8.058) 9.419 2.398 ( -1.598 0.000 1.685) 2.322 2.420 ( 0.870 0.000 -5.584) 5.651 2.433 ( -1.012 0.000 3.394) 3.541 2.475 ( -1.134 0.000 0.656) 1.310 2.488 ( -3.459 0.000 -0.307) 3.473 2.603 ( 2.071 0.000 -2.385) 3.158 2.607 ( 4.885 0.000 -2.747) 5.604 2.662 ( -0.892 0.000 0.577) 1.062 2.742 ( -0.888 0.000 -2.191) 2.364 2.802 ( -0.540 0.000 -0.137) 0.557 2.851 ( 0.472 0.000 -0.592) 0.757 2.928 ( -2.299 0.000 0.086) 2.301 2.928 ( 2.668 0.000 -0.081) 2.669 2.935 ( -0.493 0.000 -0.908) 1.033 3.001 ( -0.650 0.000 -0.593) 0.880 3.011 ( 1.129 0.000 1.048) 1.540 3.036 ( 2.008 0.000 -0.121) 2.012 3.219 ( -0.755 0.000 -0.254) 0.797 3.229 ( 0.598 0.000 -0.715) 0.932 3.249 ( -3.225 0.000 0.399) 3.250 3.300 ( 0.095 0.000 2.133) 2.135 3.319 ( 0.772 0.000 -4.062) 4.134 3.368 ( 1.031 0.000 0.100) 1.036 3.479 ( -0.365 0.000 0.484) 0.606 3.506 ( -0.315 0.000 -0.699) 0.767 3.583 ( 0.168 0.000 -1.008) 1.022 3.715 ( 0.854 0.000 -3.837) 3.930 3.760 ( -1.122 0.000 -4.232) 4.378 3.861 ( -0.506 0.000 5.374) 5.397 4.234 ( -0.563 0.000 -0.719) 0.914 4.304 ( -0.511 0.000 -1.160) 1.268 4.594 ( 0.826 0.000 0.778) 1.135 4.654 ( -1.179 0.000 -0.316) 1.220 4.720 ( 0.907 0.000 1.007) 1.355 4.735 ( -0.417 0.000 -0.677) 0.795 4.774 ( 0.427 0.000 0.153) 0.454 4.904 ( -0.147 0.000 -0.576) 0.594 5.024 ( 6.660 0.000 3.969) 7.753 5.258 ( -1.618 0.000 1.710) 2.354 5.542 ( 0.284 0.000 0.573) 0.640 5.567 ( 0.168 0.000 0.143) 0.221 5.587 ( -4.529 0.000 7.429) 8.701 5.698 ( -0.322 0.000 -0.968) 1.020 6.691 ( 1.610 0.000 -0.734) 1.770 7.064 ( -4.084 0.000 7.347) 8.405 10.510 ( -0.786 0.000 0.533) 0.950 10.567 ( 2.116 0.000 -7.376) 7.673 10.623 ( 1.145 0.000 -1.803) 2.135 10.671 ( -3.561 0.000 -1.224) 3.765 10.695 ( -1.535 0.000 0.881) 1.770 10.726 ( -1.063 0.000 -1.850) 2.134 10.861 ( 5.982 0.000 1.337) 6.130 10.941 ( 4.453 0.000 2.227) 4.979 13.615 ( 2.161 0.000 1.710) 2.755 13.723 ( -1.248 0.000 -1.111) 1.671 ======================= Grid point 2 (3/66) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 2.104 0.000 -4.898) 5.331 0.530 ( 12.478 0.000 3.808) 13.047 0.634 ( 10.010 0.000 7.788) 12.683 0.857 ( 1.375 0.000 -4.411) 4.620 0.934 ( 0.264 0.000 6.262) 6.268 0.934 ( 0.440 0.000 -4.029) 4.053 1.058 ( 4.146 0.000 9.146) 10.041 1.174 ( 2.900 0.000 -4.138) 5.053 1.180 ( 9.211 0.000 8.265) 12.376 1.232 ( 0.686 0.000 2.778) 2.862 1.254 ( -0.247 0.000 0.631) 0.678 1.325 ( 2.504 0.000 0.810) 2.631 1.379 ( -5.101 0.000 -3.908) 6.426 1.531 ( 0.589 0.000 -4.620) 4.658 1.551 ( -2.406 0.000 -1.570) 2.873 1.573 ( 0.334 0.000 -1.328) 1.370 1.676 ( -5.572 0.000 0.802) 5.629 1.729 ( -2.494 0.000 -2.566) 3.579 1.839 ( 1.324 0.000 3.787) 4.012 1.866 ( -2.454 0.000 3.466) 4.247 1.980 ( -1.493 0.000 1.796) 2.336 1.988 ( -1.073 0.000 -1.674) 1.988 2.046 ( 0.353 0.000 -0.101) 0.367 2.100 ( -1.253 0.000 0.362) 1.304 2.131 ( -0.182 0.000 -4.580) 4.583 2.167 ( -0.603 0.000 -1.899) 1.992 2.181 ( -2.243 0.000 -5.221) 5.682 2.248 ( 0.936 0.000 5.488) 5.568 2.283 ( 1.442 0.000 2.000) 2.466 2.389 ( 2.041 0.000 -6.713) 7.017 2.391 ( -1.115 0.000 2.723) 2.942 2.421 ( -3.219 0.000 2.167) 3.880 2.432 ( -2.293 0.000 -0.203) 2.302 2.487 ( -0.426 0.000 1.698) 1.751 2.588 ( 0.531 0.000 -3.614) 3.653 2.652 ( -0.082 0.000 0.438) 0.446 2.683 ( 5.050 0.000 -0.613) 5.087 2.698 ( -1.142 0.000 -3.482) 3.664 2.811 ( 1.837 0.000 0.906) 2.049 2.855 ( 0.580 0.000 -0.264) 0.637 2.891 ( -2.310 0.000 0.276) 2.327 2.908 ( -0.862 0.000 -1.350) 1.602 2.978 ( 2.327 0.000 0.784) 2.456 2.979 ( -2.636 0.000 1.822) 3.204 3.048 ( -0.096 0.000 -1.664) 1.667 3.049 ( 0.314 0.000 0.403) 0.511 3.146 ( -0.322 0.000 -4.107) 4.119 3.232 ( 0.649 0.000 -1.271) 1.427 3.247 ( 1.375 0.000 -1.660) 2.156 3.292 ( -1.368 0.000 -0.188) 1.381 3.308 ( -2.499 0.000 4.824) 5.433 3.391 ( 2.404 0.000 -2.473) 3.449 3.480 ( -0.194 0.000 0.659) 0.687 3.496 ( -0.832 0.000 0.256) 0.870 3.577 ( 0.558 0.000 -1.412) 1.519 3.685 ( -4.044 0.000 -1.732) 4.399 3.733 ( 4.204 0.000 -2.828) 5.067 3.868 ( -3.390 0.000 4.314) 5.487 4.237 ( 1.103 0.000 -0.188) 1.119 4.282 ( -0.743 0.000 -1.179) 1.393 4.614 ( 0.372 0.000 0.770) 0.855 4.632 ( -0.840 0.000 -0.407) 0.933 4.720 ( -0.340 0.000 -0.935) 0.995 4.742 ( 0.624 0.000 0.550) 0.832 4.794 ( 1.630 0.000 0.528) 1.713 4.899 ( 0.155 0.000 -0.472) 0.497 5.177 ( 6.218 0.000 4.047) 7.419 5.237 ( -2.525 0.000 1.191) 2.791 5.554 ( 0.358 0.000 0.674) 0.763 5.571 ( 0.056 0.000 0.186) 0.194 5.583 ( -1.323 0.000 1.940) 2.349 5.681 ( -0.413 0.000 -1.267) 1.333 6.714 ( 1.918 0.000 -0.964) 2.146 7.066 ( -1.337 0.000 2.578) 2.904 10.503 ( -0.897 0.000 1.362) 1.631 10.542 ( 0.584 0.000 -2.576) 2.641 10.606 ( -2.783 0.000 -1.506) 3.165 10.623 ( 0.556 0.000 -0.981) 1.128 10.676 ( -1.905 0.000 1.235) 2.270 10.685 ( -1.115 0.000 -2.273) 2.532 10.981 ( 5.918 0.000 1.799) 6.185 11.031 ( 3.604 0.000 2.039) 4.141 13.676 ( 2.684 0.000 2.114) 3.417 13.686 ( -1.596 0.000 -1.416) 2.133 ======================= Grid point 3 (4/66) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.661 0.000 -2.459) 2.547 0.732 ( 6.448 0.000 3.473) 7.324 0.782 ( 1.199 0.000 2.005) 2.336 0.849 ( 3.008 0.000 -3.691) 4.762 0.981 ( -3.505 0.000 2.112) 4.092 0.984 ( 7.988 0.000 1.723) 8.172 1.051 ( -2.071 0.000 4.240) 4.718 1.134 ( 1.029 0.000 -5.561) 5.656 1.172 ( -6.764 0.000 -3.529) 7.629 1.267 ( 0.857 0.000 1.041) 1.349 1.299 ( -1.639 0.000 -1.049) 1.946 1.403 ( 2.967 0.000 2.760) 4.052 1.443 ( 2.743 0.000 4.835) 5.559 1.531 ( 1.901 0.000 -0.828) 2.073 1.533 ( 3.235 0.000 0.937) 3.368 1.579 ( 0.938 0.000 0.665) 1.150 1.609 ( -3.027 0.000 0.702) 3.107 1.648 ( -3.456 0.000 -3.753) 5.102 1.865 ( -0.935 0.000 1.950) 2.162 1.923 ( 2.802 0.000 5.508) 6.180 1.947 ( -1.333 0.000 -1.242) 1.822 1.979 ( 0.937 0.000 -1.404) 1.687 2.036 ( -1.071 0.000 -0.236) 1.096 2.068 ( -0.428 0.000 -1.237) 1.309 2.072 ( -4.934 0.000 -2.211) 5.407 2.117 ( -0.355 0.000 -0.623) 0.717 2.149 ( 0.411 0.000 -2.428) 2.463 2.307 ( 1.290 0.000 3.670) 3.890 2.314 ( 0.246 0.000 1.390) 1.412 2.357 ( 0.500 0.000 -3.579) 3.614 2.359 ( -1.802 0.000 -2.047) 2.727 2.418 ( 0.083 0.000 -0.051) 0.097 2.434 ( 0.553 0.000 2.301) 2.367 2.488 ( -1.187 0.000 2.045) 2.364 2.566 ( 0.091 0.000 -2.253) 2.255 2.645 ( -1.228 0.000 -2.384) 2.681 2.652 ( 0.088 0.000 -0.089) 0.125 2.747 ( 1.836 0.000 0.692) 1.962 2.860 ( -1.217 0.000 0.129) 1.224 2.863 ( 0.494 0.000 -0.141) 0.514 2.884 ( 4.831 0.000 2.028) 5.239 2.904 ( 1.281 0.000 -0.481) 1.368 2.941 ( -3.413 0.000 1.247) 3.633 2.981 ( -3.035 0.000 -2.382) 3.858 3.024 ( 0.352 0.000 -0.148) 0.382 3.029 ( -0.269 0.000 -1.214) 1.244 3.158 ( 1.973 0.000 -1.151) 2.284 3.222 ( -0.409 0.000 -0.612) 0.736 3.252 ( 0.765 0.000 -0.890) 1.174 3.279 ( -0.689 0.000 0.817) 1.069 3.329 ( 0.284 0.000 3.340) 3.352 3.384 ( -0.453 0.000 -2.233) 2.278 3.483 ( -0.748 0.000 0.123) 0.758 3.485 ( 0.099 0.000 0.348) 0.362 3.577 ( 0.794 0.000 -1.094) 1.352 3.617 ( -2.515 0.000 -0.232) 2.526 3.774 ( 3.043 0.000 -2.156) 3.729 3.849 ( -2.594 0.000 2.777) 3.800 4.252 ( 0.581 0.000 -0.012) 0.581 4.263 ( -0.438 0.000 -0.489) 0.657 4.612 ( -0.372 0.000 -0.130) 0.394 4.630 ( 0.134 0.000 0.198) 0.239 4.710 ( -0.074 0.000 -0.356) 0.364 4.750 ( 0.080 0.000 0.128) 0.151 4.827 ( 1.273 0.000 0.384) 1.330 4.900 ( 0.210 0.000 -0.109) 0.237 5.206 ( -1.569 0.000 0.293) 1.597 5.278 ( 2.358 0.000 1.619) 2.860 5.563 ( 0.165 0.000 0.291) 0.335 5.573 ( 0.011 0.000 0.081) 0.081 5.580 ( -0.281 0.000 0.367) 0.462 5.666 ( -0.198 0.000 -0.595) 0.627 6.730 ( 0.825 0.000 -0.445) 0.938 7.068 ( -0.325 0.000 0.675) 0.749 10.512 ( 0.053 0.000 2.014) 2.015 10.535 ( 0.267 0.000 -0.686) 0.736 10.552 ( -1.534 0.000 -2.093) 2.594 10.625 ( 0.432 0.000 -0.482) 0.647 10.657 ( -0.376 0.000 -0.888) 0.965 10.659 ( -1.097 0.000 0.723) 1.314 11.066 ( 2.412 0.000 0.809) 2.544 11.086 ( 1.328 0.000 0.804) 1.552 13.655 ( -0.724 0.000 -0.641) 0.967 13.726 ( 1.191 0.000 0.934) 1.513 ======================= Grid point 7 (5/66) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.221 ( 0.000 10.585 0.000) 10.585 0.337 ( 0.000 16.450 0.000) 16.450 0.474 ( 0.000 4.232 0.000) 4.232 0.550 ( 0.000 16.703 0.000) 16.703 0.824 ( 0.000 -5.216 0.000) 5.216 0.910 ( 0.000 -3.672 0.000) 3.672 0.920 ( 0.000 -0.151 0.000) 0.151 0.979 ( 0.000 -1.524 0.000) 1.524 1.114 ( 0.000 -4.081 0.000) 4.081 1.230 ( 0.000 1.758 0.000) 1.758 1.265 ( 0.000 -1.272 0.000) 1.272 1.317 ( 0.000 2.551 0.000) 2.551 1.450 ( 0.000 -4.617 0.000) 4.617 1.476 ( 0.000 -9.309 0.000) 9.309 1.629 ( 0.000 0.311 0.000) 0.311 1.705 ( 0.000 -2.725 0.000) 2.725 1.761 ( 0.000 -1.267 0.000) 1.267 1.785 ( 0.000 -0.430 0.000) 0.430 1.845 ( 0.000 1.481 0.000) 1.481 1.946 ( 0.000 2.391 0.000) 2.391 1.948 ( 0.000 8.164 0.000) 8.164 2.028 ( 0.000 -6.133 0.000) 6.133 2.049 ( 0.000 0.571 0.000) 0.571 2.068 ( 0.000 -0.644 0.000) 0.644 2.109 ( 0.000 -4.782 0.000) 4.782 2.162 ( 0.000 4.488 0.000) 4.488 2.200 ( 0.000 1.739 0.000) 1.739 2.244 ( 0.000 -1.033 0.000) 1.033 2.330 ( 0.000 3.372 0.000) 3.372 2.431 ( 0.000 -2.253 0.000) 2.253 2.439 ( 0.000 2.182 0.000) 2.182 2.462 ( 0.000 -1.996 0.000) 1.996 2.551 ( 0.000 0.937 0.000) 0.937 2.552 ( 0.000 -0.012 0.000) 0.012 2.595 ( 0.000 2.005 0.000) 2.005 2.652 ( 0.000 0.069 0.000) 0.069 2.687 ( 0.000 1.046 0.000) 1.046 2.721 ( 0.000 -1.665 0.000) 1.665 2.798 ( 0.000 -4.908 0.000) 4.908 2.808 ( 0.000 1.198 0.000) 1.198 2.886 ( 0.000 0.586 0.000) 0.586 2.925 ( 0.000 -4.564 0.000) 4.564 2.996 ( 0.000 0.392 0.000) 0.392 3.005 ( 0.000 2.329 0.000) 2.329 3.054 ( 0.000 1.684 0.000) 1.684 3.137 ( 0.000 -2.819 0.000) 2.819 3.212 ( 0.000 1.970 0.000) 1.970 3.257 ( 0.000 1.439 0.000) 1.439 3.283 ( 0.000 0.676 0.000) 0.676 3.330 ( 0.000 -1.583 0.000) 1.583 3.394 ( 0.000 4.240 0.000) 4.240 3.475 ( 0.000 0.886 0.000) 0.886 3.522 ( 0.000 -1.014 0.000) 1.014 3.536 ( 0.000 1.686 0.000) 1.686 3.599 ( 0.000 0.233 0.000) 0.233 3.631 ( 0.000 -3.015 0.000) 3.015 3.800 ( 0.000 0.992 0.000) 0.992 3.831 ( 0.000 -0.756 0.000) 0.756 4.255 ( 0.000 0.528 0.000) 0.528 4.302 ( 0.000 -1.227 0.000) 1.227 4.625 ( 0.000 0.466 0.000) 0.466 4.658 ( 0.000 -0.908 0.000) 0.908 4.711 ( 0.000 0.576 0.000) 0.576 4.737 ( 0.000 -0.486 0.000) 0.486 4.776 ( 0.000 0.463 0.000) 0.463 4.798 ( 0.000 -0.320 0.000) 0.320 4.912 ( 0.000 0.292 0.000) 0.292 4.934 ( 0.000 -0.544 0.000) 0.544 5.557 ( 0.000 -0.032 0.000) 0.032 5.561 ( 0.000 -0.266 0.000) 0.266 5.672 ( 0.000 0.651 0.000) 0.651 5.701 ( 0.000 -0.523 0.000) 0.523 6.721 ( 0.000 3.348 0.000) 3.348 6.886 ( 0.000 -3.219 0.000) 3.219 10.571 ( 0.000 2.052 0.000) 2.052 10.637 ( 0.000 1.852 0.000) 1.852 10.676 ( 0.000 -2.256 0.000) 2.256 10.725 ( 0.000 -1.742 0.000) 1.742 10.746 ( 0.000 2.009 0.000) 2.009 10.798 ( 0.000 0.253 0.000) 0.253 10.851 ( 0.000 -0.401 0.000) 0.401 10.864 ( 0.000 -1.287 0.000) 1.287 13.609 ( 0.000 2.078 0.000) 2.078 13.717 ( 0.000 -2.191 0.000) 2.191 ======================= Grid point 8 (6/66) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 10.379 5.089 1.226) 11.624 0.427 ( 8.913 7.156 1.947) 11.595 0.517 ( 3.445 1.050 -1.452) 3.883 0.755 ( 9.735 9.063 13.823) 19.183 0.839 ( 4.252 -2.892 -1.978) 5.510 0.880 ( -2.861 -2.029 3.871) 5.224 0.956 ( 0.150 -0.974 -1.311) 1.640 0.999 ( 3.924 -2.193 3.820) 5.899 1.141 ( 2.455 -2.708 0.305) 3.668 1.220 ( -0.997 0.829 0.104) 1.301 1.269 ( 1.693 -0.551 -2.706) 3.239 1.306 ( -1.139 2.157 0.617) 2.516 1.446 ( -1.020 -5.660 -0.984) 5.835 1.464 ( 0.081 -5.851 -0.894) 5.919 1.599 ( -1.531 -0.194 -1.306) 2.021 1.639 ( -2.748 -1.089 -5.333) 6.097 1.761 ( -1.812 0.851 0.916) 2.202 1.790 ( -1.355 -0.538 0.691) 1.613 1.814 ( -1.441 1.484 -2.145) 2.980 1.925 ( -2.147 2.465 0.245) 3.278 1.973 ( 0.973 2.340 1.750) 3.079 2.014 ( 0.909 -1.562 -0.576) 1.897 2.050 ( -1.795 0.821 2.868) 3.481 2.092 ( -0.344 -0.726 -1.871) 2.036 2.133 ( 2.360 -3.181 0.089) 3.961 2.173 ( 1.252 1.459 3.582) 4.065 2.210 ( -1.819 0.712 1.218) 2.301 2.238 ( 1.553 1.243 1.025) 2.237 2.307 ( -1.318 2.413 -4.388) 5.178 2.381 ( -1.634 -2.305 -3.084) 4.182 2.434 ( -1.791 0.043 -0.077) 1.794 2.453 ( -0.166 0.910 -0.586) 1.095 2.522 ( -1.929 2.473 -0.215) 3.144 2.536 ( -3.715 2.382 1.457) 4.647 2.601 ( 0.947 -0.262 -1.164) 1.524 2.642 ( 1.097 1.204 -2.829) 3.264 2.659 ( -1.711 1.246 1.289) 2.478 2.739 ( -0.004 -0.866 -1.885) 2.075 2.768 ( -0.913 -4.177 -0.622) 4.321 2.816 ( 1.386 -1.195 0.046) 1.830 2.893 ( 0.912 0.823 0.776) 1.453 2.945 ( -0.181 -2.432 0.277) 2.454 2.978 ( 0.167 0.616 -0.004) 0.639 3.018 ( -0.780 3.819 -1.020) 4.029 3.028 ( -0.204 -0.723 0.484) 0.893 3.110 ( -3.576 5.744 -7.016) 9.747 3.179 ( 2.358 -1.972 -0.423) 3.103 3.244 ( -3.904 0.895 0.948) 4.116 3.251 ( -1.638 -0.156 -3.491) 3.859 3.320 ( -0.915 2.741 0.835) 3.008 3.343 ( 2.624 -1.282 -2.220) 3.668 3.400 ( -3.690 3.000 -1.247) 4.916 3.498 ( 0.192 2.489 0.558) 2.558 3.527 ( -0.547 1.452 -0.266) 1.574 3.585 ( 0.205 0.160 -0.770) 0.813 3.689 ( 1.498 -3.146 -1.753) 3.901 3.773 ( -0.828 1.930 -2.587) 3.332 3.849 ( -0.662 -1.169 4.220) 4.429 4.238 ( -0.676 0.499 -0.803) 1.162 4.289 ( -0.649 -1.401 -1.157) 1.930 4.609 ( 0.185 1.149 0.194) 1.180 4.648 ( -0.883 -0.639 -0.274) 1.124 4.722 ( 0.817 0.171 0.546) 0.997 4.732 ( -0.151 -0.259 -0.590) 0.662 4.782 ( 0.367 0.877 0.515) 1.081 4.877 ( 0.163 -3.006 0.451) 3.044 5.018 ( 6.610 -0.523 4.113) 7.803 5.064 ( 8.083 -7.210 7.844) 13.373 5.559 ( 0.403 0.166 -0.204) 0.481 5.565 ( 0.286 -0.217 0.094) 0.371 5.639 ( -3.431 2.439 1.326) 4.413 5.692 ( -0.540 -0.662 -0.839) 1.197 6.731 ( 1.525 3.726 -0.471) 4.054 6.948 ( 2.045 -6.813 3.937) 8.130 10.552 ( -1.478 2.417 -0.046) 2.833 10.625 ( -2.899 2.079 1.065) 3.723 10.644 ( -2.969 -1.743 -0.503) 3.479 10.708 ( -1.983 -0.391 -1.725) 2.657 10.715 ( -0.899 4.682 -5.348) 7.164 10.755 ( -1.600 4.517 -1.027) 4.901 10.844 ( 4.511 -1.676 0.727) 4.867 10.911 ( 3.538 -2.780 1.670) 4.800 13.630 ( 1.668 1.459 1.289) 2.564 13.707 ( -0.743 -1.579 -0.717) 1.887 ======================= Grid point 9 (7/66) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 3.850 -0.908 -5.192) 6.527 0.533 ( 7.202 -1.399 -0.820) 7.382 0.659 ( 7.072 3.440 7.627) 10.956 0.841 ( 3.609 -1.362 -1.220) 4.046 0.895 ( 0.977 -2.160 2.116) 3.178 0.925 ( 2.215 -2.605 3.400) 4.822 1.057 ( 0.212 -0.163 2.146) 2.162 1.126 ( 3.281 -2.860 1.962) 4.775 1.174 ( 5.258 0.367 3.975) 6.601 1.243 ( -1.009 -0.229 -0.013) 1.035 1.247 ( 0.601 -2.436 1.390) 2.869 1.314 ( 2.821 3.931 -0.158) 4.841 1.416 ( -0.171 -0.225 -1.636) 1.660 1.455 ( 0.072 -4.900 -0.774) 4.962 1.561 ( -0.135 1.221 -2.800) 3.057 1.591 ( 0.692 0.490 0.248) 0.884 1.685 ( -6.431 1.114 -0.775) 6.572 1.761 ( -1.572 1.305 -2.083) 2.918 1.799 ( 0.461 -1.188 2.124) 2.477 1.903 ( -2.399 0.101 1.771) 2.984 1.971 ( -1.974 0.990 0.536) 2.272 2.023 ( 0.153 0.502 -1.918) 1.989 2.053 ( -1.551 -0.568 0.958) 1.909 2.068 ( 0.405 3.134 1.821) 3.647 2.152 ( 0.850 0.146 -2.346) 2.500 2.179 ( -0.765 -1.290 -1.508) 2.127 2.223 ( -2.292 2.651 -2.349) 4.219 2.242 ( 0.184 -0.323 0.098) 0.384 2.277 ( 1.255 2.036 4.522) 5.115 2.352 ( 1.055 -2.444 -3.188) 4.154 2.416 ( -1.116 0.569 0.051) 1.254 2.429 ( -1.390 1.008 0.898) 1.937 2.479 ( -3.495 3.070 1.009) 4.760 2.507 ( -1.096 2.038 0.382) 2.346 2.578 ( -1.193 -1.438 -2.861) 3.417 2.644 ( 0.343 -0.880 0.831) 1.258 2.660 ( 2.020 -1.306 -1.704) 2.948 2.709 ( -0.498 0.215 -3.128) 3.175 2.790 ( 3.110 -1.689 1.142) 3.719 2.830 ( -0.228 -1.722 0.641) 1.852 2.896 ( -1.720 0.145 -0.648) 1.844 2.939 ( -0.143 -0.985 1.955) 2.194 2.961 ( -0.926 2.360 -2.572) 3.612 3.008 ( -0.072 1.210 -0.729) 1.414 3.034 ( 1.368 -0.549 -0.295) 1.504 3.067 ( 0.623 1.427 -0.945) 1.822 3.122 ( -2.652 -1.036 -4.001) 4.911 3.224 ( 0.361 -0.296 -1.008) 1.111 3.237 ( 0.662 -0.026 -1.015) 1.212 3.319 ( -1.926 2.016 -0.215) 2.797 3.343 ( -1.656 -0.418 2.142) 2.740 3.361 ( 0.713 -0.913 -1.083) 1.586 3.500 ( -0.073 2.013 -0.158) 2.020 3.517 ( -0.787 1.020 0.211) 1.306 3.589 ( 1.055 1.423 -0.740) 1.920 3.675 ( -1.623 -1.229 -1.435) 2.491 3.760 ( 2.094 2.531 -1.620) 3.663 3.856 ( -2.615 -1.293 3.461) 4.526 4.234 ( 0.704 -0.088 -0.408) 0.819 4.266 ( -0.667 -1.360 -1.144) 1.898 4.617 ( 0.109 0.245 0.324) 0.420 4.629 ( -0.782 -0.291 -0.457) 0.951 4.725 ( 0.153 0.424 -0.737) 0.864 4.741 ( 0.686 -0.191 0.179) 0.734 4.799 ( 1.040 0.702 0.852) 1.516 4.878 ( -0.149 -2.099 0.307) 2.127 5.169 ( 5.972 -0.718 3.973) 7.209 5.186 ( 1.734 -3.033 3.134) 4.694 5.566 ( 0.583 0.311 -0.025) 0.662 5.570 ( 0.276 -0.064 0.049) 0.288 5.604 ( -2.083 2.121 1.036) 3.148 5.671 ( -0.661 -0.929 -1.120) 1.598 6.755 ( 1.805 4.024 -0.632) 4.455 6.994 ( 0.490 -6.158 1.927) 6.471 10.531 ( -1.926 1.878 1.236) 2.961 10.572 ( -1.735 2.411 -1.520) 3.337 10.589 ( -2.618 -1.082 -0.723) 2.923 10.659 ( -0.742 0.235 -1.883) 2.038 10.692 ( 0.737 4.123 -1.987) 4.636 10.744 ( -0.825 5.583 0.766) 5.695 10.936 ( 4.881 -4.317 1.227) 6.631 10.985 ( 2.936 -4.422 1.821) 5.612 13.677 ( 2.075 0.082 1.594) 2.617 13.684 ( -0.940 -0.177 -0.898) 1.312 ======================= Grid point 10 (8/66) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.266 -1.349 -2.482) 2.837 0.595 ( 1.060 -8.218 -0.462) 8.299 0.817 ( 6.147 0.936 4.160) 7.481 0.913 ( 1.719 1.169 1.389) 2.500 0.956 ( 0.577 0.592 0.380) 0.910 0.990 ( 0.871 -1.158 -1.094) 1.816 1.024 ( 2.306 -0.342 4.156) 4.766 1.122 ( -1.558 -1.593 -3.931) 4.519 1.141 ( -2.897 -0.044 -2.968) 4.148 1.276 ( 1.445 -1.594 1.966) 2.914 1.308 ( -2.122 -0.887 -0.664) 2.394 1.347 ( 2.858 -0.852 2.664) 3.999 1.448 ( 3.585 -3.122 0.470) 4.778 1.475 ( 1.819 -1.061 1.837) 2.795 1.540 ( -3.570 0.252 -2.293) 4.251 1.581 ( -2.358 -0.874 -2.022) 3.227 1.657 ( 4.053 5.516 3.135) 7.529 1.711 ( -2.092 3.542 -0.824) 4.195 1.842 ( 0.788 -1.318 1.802) 2.368 1.879 ( -1.270 -3.669 0.695) 3.945 1.961 ( -0.845 1.041 3.032) 3.316 1.994 ( -0.420 0.267 -1.441) 1.524 2.046 ( 0.184 0.420 0.534) 0.704 2.084 ( -1.284 2.170 -0.128) 2.525 2.097 ( -1.480 2.518 -4.288) 5.188 2.140 ( -0.730 1.548 -0.961) 1.963 2.207 ( 0.079 3.628 -0.661) 3.688 2.248 ( 0.318 -2.192 0.556) 2.283 2.301 ( -0.311 -0.511 -1.016) 1.179 2.369 ( 1.174 0.931 1.828) 2.363 2.405 ( 0.854 0.256 0.273) 0.932 2.429 ( -0.380 -0.783 1.063) 1.373 2.448 ( -1.441 3.749 -1.653) 4.343 2.486 ( -1.255 0.386 1.934) 2.337 2.538 ( -0.978 -1.770 -2.128) 2.936 2.649 ( 0.463 0.940 -0.136) 1.056 2.672 ( -0.620 0.190 -0.816) 1.042 2.695 ( 1.608 -4.356 -0.716) 4.698 2.828 ( -0.358 -1.265 0.448) 1.389 2.850 ( 0.948 -1.090 0.705) 1.608 2.883 ( 1.325 -0.377 1.403) 1.966 2.924 ( -0.355 -1.304 -2.004) 2.417 2.958 ( -0.084 1.644 1.131) 1.997 2.994 ( -0.226 -0.192 -1.597) 1.624 3.038 ( -0.882 2.372 0.124) 2.534 3.042 ( -0.789 2.714 -1.751) 3.324 3.103 ( 1.177 -3.675 -0.286) 3.869 3.213 ( -0.147 -1.053 -1.311) 1.688 3.249 ( 1.846 -0.014 -0.575) 1.933 3.278 ( -2.491 0.549 0.769) 2.664 3.345 ( -1.324 0.354 1.806) 2.267 3.359 ( 0.602 -2.227 -0.961) 2.499 3.495 ( -0.261 1.118 -0.190) 1.164 3.507 ( -0.266 0.907 -0.043) 0.946 3.600 ( 0.576 2.363 -0.160) 2.438 3.635 ( -1.226 1.462 -0.620) 2.006 3.788 ( 2.302 1.228 -1.540) 3.030 3.841 ( -2.166 -0.853 2.288) 3.264 4.243 ( 0.394 -0.748 -0.117) 0.854 4.249 ( -0.349 -1.098 -0.458) 1.240 4.613 ( -0.275 0.101 -0.157) 0.332 4.622 ( -0.031 -0.564 -0.015) 0.565 4.724 ( 0.206 0.999 -0.234) 1.047 4.745 ( 0.010 -0.362 -0.059) 0.367 4.826 ( 0.973 0.083 0.447) 1.074 4.879 ( -0.107 -1.866 0.285) 1.890 5.212 ( -0.082 0.724 0.724) 1.027 5.265 ( 2.214 -1.194 1.538) 2.949 5.573 ( 0.061 0.068 0.082) 0.122 5.576 ( 0.620 0.234 -0.181) 0.686 5.588 ( -0.926 1.472 0.475) 1.802 5.655 ( -0.301 -1.104 -0.523) 1.258 6.773 ( 0.760 4.118 -0.309) 4.199 7.009 ( 0.105 -5.413 0.511) 5.438 10.514 ( -0.997 0.385 0.915) 1.407 10.542 ( -1.245 0.386 -0.373) 1.356 10.559 ( 0.030 0.865 -0.984) 1.310 10.640 ( -0.213 -1.418 -0.612) 1.559 10.691 ( 0.446 6.445 -0.582) 6.487 10.739 ( -0.403 6.818 0.414) 6.843 11.006 ( 2.052 -5.770 0.601) 6.153 11.031 ( 1.083 -5.286 0.745) 5.447 13.665 ( -0.428 0.975 -0.406) 1.139 13.715 ( 0.924 -1.008 0.708) 1.540 ======================= Grid point 14 (9/66) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.000 -6.746 0.000) 6.746 0.399 ( 0.000 6.746 0.000) 6.746 0.636 ( 0.000 -13.028 0.000) 13.028 0.636 ( 0.000 13.028 0.000) 13.028 0.835 ( 0.000 -5.340 0.000) 5.340 0.835 ( 0.000 5.340 0.000) 5.340 0.946 ( 0.000 -1.711 0.000) 1.711 0.946 ( 0.000 1.711 0.000) 1.711 1.166 ( 0.000 -10.633 0.000) 10.633 1.166 ( 0.000 10.633 0.000) 10.633 1.283 ( 0.000 -4.037 0.000) 4.037 1.283 ( 0.000 4.037 0.000) 4.037 1.371 ( 0.000 -3.542 0.000) 3.542 1.371 ( 0.000 3.542 0.000) 3.542 1.657 ( 0.000 -2.049 0.000) 2.049 1.657 ( 0.000 2.049 0.000) 2.049 1.762 ( 0.000 -1.341 0.000) 1.341 1.762 ( 0.000 1.341 0.000) 1.341 1.908 ( 0.000 -4.792 0.000) 4.792 1.908 ( 0.000 4.792 0.000) 4.792 2.014 ( 0.000 -4.297 0.000) 4.297 2.014 ( 0.000 4.297 0.000) 4.297 2.053 ( 0.000 -0.153 0.000) 0.153 2.053 ( 0.000 0.153 0.000) 0.153 2.140 ( 0.000 -8.331 0.000) 8.331 2.140 ( 0.000 8.331 0.000) 8.331 2.223 ( 0.000 -0.704 0.000) 0.704 2.223 ( 0.000 0.704 0.000) 0.704 2.383 ( 0.000 -2.285 0.000) 2.285 2.383 ( 0.000 2.285 0.000) 2.285 2.450 ( 0.000 -0.253 0.000) 0.253 2.450 ( 0.000 0.253 0.000) 0.253 2.557 ( 0.000 -0.154 0.000) 0.154 2.557 ( 0.000 0.154 0.000) 0.154 2.657 ( 0.000 -2.940 0.000) 2.940 2.657 ( 0.000 2.940 0.000) 2.940 2.692 ( 0.000 -0.908 0.000) 0.908 2.692 ( 0.000 0.908 0.000) 0.908 2.764 ( 0.000 -3.161 0.000) 3.161 2.764 ( 0.000 3.161 0.000) 3.161 2.893 ( 0.000 -0.043 0.000) 0.043 2.893 ( 0.000 0.043 0.000) 0.043 3.014 ( 0.000 -1.081 0.000) 1.081 3.014 ( 0.000 1.081 0.000) 1.081 3.091 ( 0.000 -1.855 0.000) 1.855 3.091 ( 0.000 1.855 0.000) 1.855 3.254 ( 0.000 -2.040 0.000) 2.040 3.254 ( 0.000 2.040 0.000) 2.040 3.295 ( 0.000 -1.615 0.000) 1.615 3.295 ( 0.000 1.615 0.000) 1.615 3.475 ( 0.000 -3.135 0.000) 3.135 3.475 ( 0.000 3.135 0.000) 3.135 3.542 ( 0.000 -3.534 0.000) 3.534 3.542 ( 0.000 3.534 0.000) 3.534 3.583 ( 0.000 -0.986 0.000) 0.986 3.583 ( 0.000 0.986 0.000) 0.986 3.818 ( 0.000 -0.659 0.000) 0.659 3.818 ( 0.000 0.659 0.000) 0.659 4.274 ( 0.000 -1.347 0.000) 1.347 4.274 ( 0.000 1.347 0.000) 1.347 4.639 ( 0.000 -0.900 0.000) 0.900 4.639 ( 0.000 0.900 0.000) 0.900 4.724 ( 0.000 -0.692 0.000) 0.692 4.724 ( 0.000 0.692 0.000) 0.692 4.788 ( 0.000 -0.617 0.000) 0.617 4.788 ( 0.000 0.617 0.000) 0.617 4.921 ( 0.000 -0.617 0.000) 0.617 4.921 ( 0.000 0.617 0.000) 0.617 5.557 ( 0.000 -0.125 0.000) 0.125 5.557 ( 0.000 0.125 0.000) 0.125 5.687 ( 0.000 -0.800 0.000) 0.800 5.687 ( 0.000 0.800 0.000) 0.800 6.804 ( 0.000 -4.626 0.000) 4.626 6.804 ( 0.000 4.626 0.000) 4.626 10.623 ( 0.000 -2.919 0.000) 2.919 10.623 ( 0.000 2.919 0.000) 2.919 10.682 ( 0.000 -2.459 0.000) 2.459 10.682 ( 0.000 2.459 0.000) 2.459 10.787 ( 0.000 -1.683 0.000) 1.683 10.787 ( 0.000 1.683 0.000) 1.683 10.845 ( 0.000 -0.148 0.000) 0.148 10.845 ( 0.000 0.148 0.000) 0.148 13.662 ( 0.000 -3.026 0.000) 3.026 13.662 ( 0.000 3.026 0.000) 3.026 ======================= Grid point 16 (10/66) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 6.351 -4.069 -4.090) 8.580 0.429 ( 6.351 4.069 -4.090) 8.580 0.679 ( 4.208 -10.614 0.199) 11.420 0.679 ( 4.208 10.614 0.199) 11.420 0.843 ( -3.638 -1.221 5.889) 7.029 0.843 ( -3.638 1.221 5.889) 7.029 0.983 ( 4.080 -0.290 3.076) 5.118 0.983 ( 4.080 0.290 3.076) 5.118 1.214 ( 2.402 -6.309 -0.013) 6.751 1.214 ( 2.402 6.309 -0.013) 6.751 1.266 ( 0.309 -4.426 0.316) 4.448 1.266 ( 0.309 4.426 0.316) 4.448 1.371 ( 0.677 -3.901 -0.501) 3.991 1.371 ( 0.677 3.901 -0.501) 3.991 1.615 ( -1.713 -1.319 -2.824) 3.556 1.615 ( -1.713 1.319 -2.824) 3.556 1.777 ( -1.314 -0.844 0.942) 1.824 1.777 ( -1.314 0.844 0.942) 1.824 1.871 ( -0.954 -4.446 -3.220) 5.572 1.871 ( -0.954 4.446 -3.220) 5.572 2.021 ( -0.065 -2.455 1.184) 2.727 2.021 ( -0.065 2.455 1.184) 2.727 2.068 ( 0.349 -0.930 2.234) 2.445 2.068 ( 0.349 0.930 2.234) 2.445 2.146 ( 0.003 -5.212 -0.117) 5.213 2.146 ( 0.003 5.212 -0.117) 5.213 2.238 ( 0.292 -1.728 3.579) 3.985 2.238 ( 0.292 1.728 3.579) 3.985 2.341 ( -1.161 -1.535 -5.295) 5.634 2.341 ( -1.161 1.535 -5.295) 5.634 2.446 ( -0.945 -1.080 0.189) 1.447 2.446 ( -0.945 1.080 0.189) 1.447 2.559 ( -0.767 -0.875 1.661) 2.028 2.559 ( -0.767 0.875 1.661) 2.028 2.618 ( -3.275 -2.788 -1.263) 4.482 2.618 ( -3.275 2.788 -1.263) 4.482 2.699 ( 0.003 -2.165 0.096) 2.167 2.699 ( 0.003 2.165 0.096) 2.167 2.760 ( 1.148 -3.464 -1.294) 3.872 2.760 ( 1.148 3.464 -1.294) 3.872 2.915 ( 1.064 -0.928 0.607) 1.537 2.915 ( 1.064 0.928 0.607) 1.537 3.002 ( -0.357 -1.663 0.334) 1.733 3.002 ( -0.357 1.663 0.334) 1.733 3.098 ( -0.198 -3.701 -2.422) 4.428 3.098 ( -0.198 3.701 -2.422) 4.428 3.214 ( -1.984 -2.808 -3.089) 4.622 3.214 ( -1.984 2.808 -3.089) 4.622 3.287 ( -0.441 -2.728 -0.339) 2.784 3.287 ( -0.441 2.728 -0.339) 2.784 3.399 ( -2.930 -2.768 -2.110) 4.550 3.399 ( -2.930 2.768 -2.110) 4.550 3.547 ( -1.622 -0.258 0.793) 1.824 3.547 ( -1.622 0.258 0.793) 1.824 3.611 ( 2.732 -3.674 -0.913) 4.668 3.611 ( 2.732 3.674 -0.913) 4.668 3.817 ( -0.793 -2.026 1.260) 2.515 3.817 ( -0.793 2.026 1.260) 2.515 4.258 ( -0.786 -1.448 -1.018) 1.936 4.258 ( -0.786 1.448 -1.018) 1.936 4.631 ( -0.369 -1.010 -0.149) 1.086 4.631 ( -0.369 1.010 -0.149) 1.086 4.726 ( 0.434 -0.278 -0.244) 0.570 4.726 ( 0.434 0.278 -0.244) 0.570 4.814 ( 0.582 -2.511 1.310) 2.891 4.814 ( 0.582 2.511 1.310) 2.891 5.011 ( 6.771 -0.228 4.774) 8.288 5.011 ( 6.771 0.228 4.774) 8.288 5.561 ( 0.340 -0.137 0.120) 0.386 5.561 ( 0.340 0.137 0.120) 0.386 5.673 ( -1.278 -1.249 -0.449) 1.843 5.673 ( -1.278 1.249 -0.449) 1.843 6.826 ( 1.813 -5.598 0.769) 5.934 6.826 ( 1.813 5.598 0.769) 5.934 10.603 ( -1.839 -2.441 -0.267) 3.068 10.603 ( -1.839 2.441 -0.267) 3.068 10.670 ( -2.014 -2.346 -0.225) 3.100 10.670 ( -2.014 2.346 -0.225) 3.100 10.793 ( 1.004 -3.110 -0.382) 3.290 10.793 ( 1.004 3.110 -0.382) 3.290 10.843 ( 1.035 -3.742 -0.382) 3.901 10.843 ( 1.035 3.742 -0.382) 3.901 13.667 ( 0.468 -2.148 0.274) 2.215 13.667 ( 0.468 2.148 0.274) 2.215 ======================= Grid point 18 (11/66) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 3.360 -2.609 -4.997) 6.562 0.480 ( 3.360 2.609 -4.997) 6.562 0.770 ( 4.528 -6.470 2.928) 8.423 0.770 ( 4.528 6.470 2.928) 8.423 0.872 ( 2.548 -1.063 5.360) 6.029 0.872 ( 2.548 1.063 5.360) 6.029 1.079 ( 2.696 -2.222 0.523) 3.533 1.079 ( 2.696 2.222 0.523) 3.533 1.186 ( -1.485 -1.360 -0.399) 2.053 1.186 ( -1.485 1.360 -0.399) 2.053 1.322 ( 1.480 -5.773 2.121) 6.326 1.322 ( 1.480 5.773 2.121) 6.326 1.393 ( 1.913 -3.531 -0.967) 4.131 1.393 ( 1.913 3.531 -0.967) 4.131 1.589 ( 0.879 -1.012 -0.566) 1.455 1.589 ( 0.879 1.012 -0.566) 1.455 1.727 ( -2.819 -2.789 0.172) 3.969 1.727 ( -2.819 2.789 0.172) 3.969 1.843 ( -0.938 -3.903 -1.361) 4.238 1.843 ( -0.938 3.903 -1.361) 4.238 2.017 ( -1.859 -1.592 0.395) 2.479 2.017 ( -1.859 1.592 0.395) 2.479 2.081 ( -0.559 -3.719 1.020) 3.897 2.081 ( -0.559 3.719 1.020) 3.897 2.153 ( 0.635 -2.819 0.388) 2.915 2.153 ( 0.635 2.819 0.388) 2.915 2.253 ( -1.015 -0.348 -1.891) 2.174 2.253 ( -1.015 0.348 -1.891) 2.174 2.311 ( 1.627 -1.515 0.927) 2.409 2.311 ( 1.627 1.515 0.927) 2.409 2.429 ( -1.384 -0.450 0.532) 1.549 2.429 ( -1.384 0.450 0.532) 1.549 2.536 ( -3.351 -2.596 -0.557) 4.276 2.536 ( -3.351 2.596 -0.557) 4.276 2.573 ( -0.182 -4.439 -0.110) 4.444 2.573 ( -0.182 4.439 -0.110) 4.444 2.684 ( 0.131 -2.258 -2.361) 3.270 2.684 ( 0.131 2.258 -2.361) 3.270 2.789 ( 1.998 -1.914 1.119) 2.985 2.789 ( 1.998 1.914 1.119) 2.985 2.909 ( -1.889 -1.343 0.176) 2.325 2.909 ( -1.889 1.343 0.176) 2.325 3.009 ( 0.380 -1.577 -2.188) 2.723 3.009 ( 0.380 1.577 -2.188) 2.723 3.044 ( -0.325 -1.806 -1.643) 2.463 3.044 ( -0.325 1.806 -1.643) 2.463 3.177 ( -0.232 -3.976 -2.368) 4.634 3.177 ( -0.232 3.976 -2.368) 4.634 3.276 ( -0.440 -3.239 -0.212) 3.276 3.276 ( -0.440 3.239 -0.212) 3.276 3.359 ( -1.670 -1.336 0.277) 2.157 3.359 ( -1.670 1.336 0.277) 2.157 3.525 ( -1.183 -0.280 -0.019) 1.216 3.525 ( -1.183 0.280 -0.019) 1.216 3.634 ( 1.232 -2.656 -0.674) 3.005 3.634 ( 1.232 2.656 -0.674) 3.005 3.816 ( -0.632 -2.665 1.126) 2.962 3.816 ( -0.632 2.665 1.126) 2.962 4.241 ( -0.158 -0.887 -0.884) 1.262 4.241 ( -0.158 0.887 -0.884) 1.262 4.623 ( -0.420 -0.327 -0.310) 0.616 4.623 ( -0.420 0.327 -0.310) 0.616 4.734 ( 0.698 -0.448 -0.406) 0.923 4.734 ( 0.698 0.448 -0.406) 0.923 4.829 ( 0.089 -2.288 1.235) 2.601 4.829 ( 0.089 2.288 1.235) 2.601 5.158 ( 5.013 -0.075 3.844) 6.318 5.158 ( 5.013 0.075 3.844) 6.318 5.569 ( 0.418 -0.089 0.135) 0.448 5.569 ( 0.418 0.089 0.135) 0.448 5.645 ( -1.332 -1.742 -0.562) 2.264 5.645 ( -1.332 1.742 -0.562) 2.264 6.862 ( 1.586 -6.442 0.438) 6.648 6.862 ( 1.586 6.442 0.438) 6.648 10.565 ( -2.822 -1.448 0.508) 3.212 10.565 ( -2.822 1.448 0.508) 3.212 10.623 ( -1.503 -2.573 -1.803) 3.483 10.623 ( -1.503 2.573 -1.803) 3.483 10.821 ( 2.528 -6.857 -0.449) 7.322 10.821 ( 2.528 6.857 -0.449) 7.322 10.871 ( 1.226 -6.564 1.314) 6.806 10.871 ( 1.226 6.564 1.314) 6.806 13.680 ( 0.589 -0.180 0.347) 0.707 13.680 ( 0.589 0.180 0.347) 0.707 ======================= Grid point 20 (12/66) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.016 -4.015 -1.914) 4.448 0.464 ( -0.016 4.015 -1.914) 4.448 0.853 ( 2.397 -3.282 2.658) 4.856 0.853 ( 2.397 3.282 2.658) 4.856 0.977 ( 0.448 -2.102 2.260) 3.119 0.977 ( 0.448 2.102 2.260) 3.119 1.079 ( 3.605 -3.473 -1.790) 5.316 1.079 ( 3.605 3.473 -1.790) 5.316 1.181 ( -1.372 -4.412 -0.581) 4.657 1.181 ( -1.372 4.412 -0.581) 4.657 1.331 ( -0.812 -1.470 0.403) 1.727 1.331 ( -0.812 1.470 0.403) 1.727 1.429 ( 2.736 -1.915 1.469) 3.649 1.429 ( 2.736 1.915 1.469) 3.649 1.565 ( -2.198 -1.169 -2.462) 3.501 1.565 ( -2.198 1.169 -2.462) 3.501 1.741 ( 1.242 -1.898 0.961) 2.463 1.741 ( 1.242 1.898 0.961) 2.463 1.826 ( -0.442 -1.183 2.215) 2.550 1.826 ( -0.442 1.183 2.215) 2.550 1.984 ( -1.495 -1.130 -0.133) 1.879 1.984 ( -1.495 1.130 -0.133) 1.879 2.072 ( -0.658 -1.930 -0.315) 2.063 2.072 ( -0.658 1.930 -0.315) 2.063 2.150 ( -0.021 -0.857 -1.956) 2.136 2.150 ( -0.021 0.857 -1.956) 2.136 2.236 ( 0.321 -0.955 -0.110) 1.013 2.236 ( 0.321 0.955 -0.110) 1.013 2.346 ( 0.594 -4.091 1.221) 4.310 2.346 ( 0.594 4.091 1.221) 4.310 2.403 ( -1.417 -1.453 -0.477) 2.085 2.403 ( -1.417 1.453 -0.477) 2.085 2.502 ( -0.794 -0.361 0.943) 1.285 2.502 ( -0.794 0.361 0.943) 1.285 2.569 ( -0.097 -6.252 -0.624) 6.283 2.569 ( -0.097 6.252 -0.624) 6.283 2.673 ( 0.560 -0.944 -1.232) 1.650 2.673 ( 0.560 0.944 -1.232) 1.650 2.828 ( 0.949 -0.831 1.203) 1.743 2.828 ( 0.949 0.831 1.203) 1.743 2.881 ( -0.795 -1.231 -0.613) 1.588 2.881 ( -0.795 1.231 -0.613) 1.588 2.987 ( 0.123 -0.660 -1.274) 1.440 2.987 ( 0.123 0.660 -1.274) 1.440 3.051 ( 0.382 -0.752 -0.041) 0.845 3.051 ( 0.382 0.752 -0.041) 0.845 3.154 ( -0.352 -5.202 -0.938) 5.297 3.154 ( -0.352 5.202 -0.938) 5.297 3.271 ( 0.033 -1.651 -0.332) 1.684 3.271 ( 0.033 1.651 -0.332) 1.684 3.337 ( -1.261 -0.639 0.482) 1.494 3.337 ( -1.261 0.639 0.482) 1.494 3.511 ( -0.461 -0.393 -0.093) 0.613 3.511 ( -0.461 0.393 -0.093) 0.613 3.644 ( 0.509 -1.145 -0.323) 1.294 3.644 ( 0.509 1.145 -0.323) 1.294 3.817 ( -0.253 -1.488 0.487) 1.586 3.817 ( -0.253 1.488 0.487) 1.586 4.234 ( -0.032 -0.150 -0.331) 0.365 4.234 ( -0.032 0.150 -0.331) 0.365 4.615 ( -0.158 -0.121 -0.182) 0.270 4.615 ( -0.158 0.121 -0.182) 0.270 4.738 ( 0.224 -0.431 -0.240) 0.542 4.738 ( 0.224 0.431 -0.240) 0.542 4.841 ( 0.168 -1.566 0.636) 1.699 4.841 ( 0.168 1.566 0.636) 1.699 5.236 ( 1.579 -1.562 1.261) 2.554 5.236 ( 1.579 1.562 1.261) 2.554 5.575 ( 0.198 -0.108 0.057) 0.233 5.575 ( 0.198 0.108 0.057) 0.233 5.625 ( -0.546 -1.852 -0.245) 1.946 5.625 ( -0.546 1.852 -0.245) 1.946 6.883 ( 0.574 -6.540 0.078) 6.566 6.883 ( 0.574 6.540 0.078) 6.566 10.530 ( -1.390 -1.029 0.199) 1.741 10.530 ( -1.390 1.029 0.199) 1.741 10.598 ( -0.214 -2.456 -0.768) 2.582 10.598 ( -0.214 2.456 -0.768) 2.582 10.852 ( 1.197 -7.965 -0.054) 8.054 10.852 ( 1.197 7.965 -0.054) 8.054 10.895 ( 0.476 -7.168 0.666) 7.215 10.895 ( 0.476 7.168 0.666) 7.215 13.690 ( 0.263 -1.405 0.155) 1.437 13.690 ( 0.263 1.405 0.155) 1.437 ======================= Grid point 35 (13/66) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 1.262 0.000 15.258) 15.310 0.357 ( 4.005 0.000 15.054) 15.578 0.565 ( -8.521 0.000 4.004) 9.415 0.635 ( 6.036 0.000 26.424) 27.105 0.832 ( -1.210 0.000 0.602) 1.351 0.928 ( 2.443 0.000 0.819) 2.577 0.932 ( 1.021 0.000 -3.874) 4.006 1.064 ( -1.717 0.000 5.018) 5.304 1.163 ( 3.792 0.000 -4.395) 5.805 1.226 ( 1.157 0.000 3.631) 3.811 1.233 ( -1.828 0.000 -1.326) 2.258 1.302 ( -0.712 0.000 0.846) 1.105 1.439 ( 2.427 0.000 -4.929) 5.494 1.516 ( -1.805 0.000 -4.780) 5.109 1.600 ( -2.447 0.000 -6.942) 7.360 1.631 ( -2.588 0.000 -1.592) 3.039 1.790 ( -0.231 0.000 -0.092) 0.249 1.826 ( -0.273 0.000 4.221) 4.229 1.832 ( 0.340 0.000 1.956) 1.986 1.942 ( 2.370 0.000 3.610) 4.319 1.948 ( -1.723 0.000 2.769) 3.261 2.025 ( 0.767 0.000 -0.069) 0.770 2.040 ( -0.627 0.000 -6.057) 6.090 2.073 ( 1.484 0.000 0.549) 1.582 2.135 ( -0.898 0.000 -0.381) 0.975 2.175 ( -1.082 0.000 2.113) 2.374 2.183 ( -2.312 0.000 1.399) 2.702 2.261 ( -0.739 0.000 3.815) 3.886 2.263 ( -0.930 0.000 0.947) 1.327 2.359 ( 3.106 0.000 -1.458) 3.431 2.367 ( -4.235 0.000 -5.632) 7.046 2.491 ( 0.381 0.000 1.883) 1.921 2.495 ( 1.013 0.000 -2.021) 2.261 2.529 ( 0.169 0.000 -1.580) 1.589 2.535 ( 1.412 0.000 0.922) 1.686 2.571 ( -4.531 0.000 0.552) 4.565 2.693 ( 0.391 0.000 0.445) 0.592 2.738 ( -1.140 0.000 -1.015) 1.526 2.793 ( -0.368 0.000 1.726) 1.765 2.846 ( 1.516 0.000 -0.070) 1.518 2.904 ( 1.192 0.000 -0.096) 1.196 2.910 ( -0.291 0.000 -3.365) 3.378 2.948 ( -0.332 0.000 -0.925) 0.983 2.962 ( 2.659 0.000 -1.337) 2.976 3.011 ( 0.081 0.000 -0.279) 0.291 3.033 ( -1.102 0.000 2.094) 2.366 3.198 ( 0.602 0.000 -2.216) 2.297 3.200 ( 2.761 0.000 -0.021) 2.761 3.210 ( 0.777 0.000 -2.514) 2.631 3.245 ( 1.158 0.000 -1.749) 2.098 3.338 ( -4.828 0.000 0.450) 4.849 3.451 ( 1.179 0.000 -2.452) 2.720 3.517 ( -0.853 0.000 0.862) 1.213 3.537 ( 0.116 0.000 -1.619) 1.623 3.641 ( -12.905 0.000 1.046) 12.948 3.670 ( -1.140 0.000 -3.736) 3.906 3.802 ( -0.336 0.000 6.951) 6.959 3.911 ( 2.391 0.000 4.966) 5.512 4.237 ( -1.058 0.000 -1.059) 1.497 4.295 ( -0.678 0.000 -1.839) 1.960 4.605 ( -0.131 0.000 1.576) 1.582 4.690 ( -2.071 0.000 1.748) 2.710 4.709 ( 0.190 0.000 -1.568) 1.580 4.759 ( -0.485 0.000 -0.498) 0.695 4.795 ( -2.583 0.000 1.825) 3.162 4.891 ( 0.733 0.000 -1.254) 1.453 4.970 ( 4.201 0.000 2.544) 4.911 5.112 ( 10.791 0.000 1.448) 10.887 5.544 ( 0.346 0.000 0.549) 0.649 5.564 ( 0.238 0.000 -0.039) 0.241 5.684 ( -0.001 0.000 -1.805) 1.805 5.747 ( -1.624 0.000 -2.319) 2.831 6.706 ( -1.908 0.000 2.543) 3.179 7.055 ( 7.413 0.000 0.036) 7.413 10.518 ( 0.351 0.000 0.354) 0.498 10.596 ( -4.127 0.000 -1.128) 4.278 10.680 ( -1.403 0.000 -0.774) 1.603 10.692 ( -1.351 0.000 -1.469) 1.995 10.727 ( -6.932 0.000 1.750) 7.149 10.764 ( -3.959 0.000 0.509) 3.991 10.782 ( 2.850 0.000 -0.688) 2.932 10.868 ( 5.176 0.000 -0.747) 5.230 13.604 ( 1.372 0.000 1.383) 1.949 13.720 ( -0.518 0.000 -1.612) 1.693 ======================= Grid point 36 (14/66) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -4.971 0.000 1.393) 5.163 0.510 ( 2.863 0.000 12.593) 12.914 0.618 ( 8.116 0.000 12.653) 15.032 0.800 ( -0.018 0.000 -1.353) 1.353 0.894 ( -0.875 0.000 -3.363) 3.475 0.963 ( 5.417 0.000 4.050) 6.764 1.064 ( 0.682 0.000 -1.653) 1.788 1.116 ( 9.849 0.000 19.393) 21.751 1.192 ( 3.713 0.000 -2.531) 4.493 1.197 ( -1.272 0.000 1.140) 1.709 1.288 ( -1.184 0.000 2.287) 2.575 1.321 ( 2.814 0.000 4.179) 5.039 1.410 ( -4.597 0.000 -4.384) 6.352 1.453 ( 3.560 0.000 -2.650) 4.438 1.526 ( 0.371 0.000 -4.319) 4.335 1.572 ( -2.750 0.000 -2.615) 3.795 1.744 ( -3.505 0.000 -2.216) 4.147 1.794 ( -6.307 0.000 2.363) 6.735 1.871 ( 0.596 0.000 4.386) 4.427 1.929 ( -2.541 0.000 0.728) 2.643 1.974 ( 0.283 0.000 -6.480) 6.486 2.015 ( 2.366 0.000 0.755) 2.484 2.034 ( -1.522 0.000 2.533) 2.955 2.088 ( 0.427 0.000 -1.427) 1.489 2.121 ( -2.688 0.000 -1.195) 2.942 2.148 ( 0.795 0.000 0.348) 0.867 2.188 ( -0.789 0.000 2.435) 2.560 2.262 ( 2.151 0.000 -7.230) 7.543 2.297 ( -0.277 0.000 3.319) 3.330 2.302 ( 0.245 0.000 3.932) 3.940 2.403 ( 1.854 0.000 -0.926) 2.073 2.473 ( -1.880 0.000 -0.565) 1.963 2.480 ( -1.688 0.000 -1.300) 2.131 2.510 ( -1.904 0.000 1.268) 2.288 2.549 ( -0.745 0.000 -1.990) 2.125 2.581 ( 5.536 0.000 0.889) 5.607 2.661 ( -2.398 0.000 -1.631) 2.900 2.708 ( -2.119 0.000 0.631) 2.211 2.808 ( 0.942 0.000 0.202) 0.963 2.862 ( -0.083 0.000 1.283) 1.285 2.878 ( 0.533 0.000 -3.976) 4.012 2.912 ( -1.338 0.000 -1.520) 2.025 2.947 ( 2.917 0.000 1.422) 3.245 3.001 ( 2.141 0.000 0.059) 2.142 3.027 ( 1.849 0.000 0.595) 1.943 3.042 ( -0.485 0.000 0.779) 0.917 3.136 ( -4.756 0.000 -6.794) 8.293 3.188 ( 1.236 0.000 -2.635) 2.911 3.218 ( -0.422 0.000 -0.385) 0.571 3.270 ( 5.233 0.000 -1.373) 5.410 3.313 ( -0.302 0.000 1.523) 1.552 3.430 ( -1.362 0.000 -1.426) 1.972 3.497 ( -3.547 0.000 2.096) 4.120 3.526 ( -0.595 0.000 2.077) 2.160 3.555 ( -1.156 0.000 0.787) 1.398 3.642 ( 1.501 0.000 -3.024) 3.376 3.805 ( -5.388 0.000 4.916) 7.294 3.965 ( -1.270 0.000 4.079) 4.272 4.214 ( 0.349 0.000 -0.947) 1.009 4.269 ( -0.098 0.000 -1.865) 1.867 4.624 ( 0.372 0.000 1.573) 1.617 4.661 ( -2.464 0.000 0.740) 2.572 4.703 ( 0.474 0.000 -1.620) 1.688 4.748 ( -0.727 0.000 1.194) 1.398 4.795 ( 0.250 0.000 1.101) 1.129 4.890 ( 0.339 0.000 -0.524) 0.624 5.104 ( 7.275 0.000 2.833) 7.807 5.214 ( 3.155 0.000 -2.487) 4.018 5.555 ( 0.368 0.000 0.500) 0.621 5.568 ( 0.239 0.000 -0.107) 0.262 5.661 ( -4.674 0.000 -0.557) 4.707 5.666 ( -0.038 0.000 -1.562) 1.563 6.718 ( -0.226 0.000 3.545) 3.553 7.095 ( 0.430 0.000 -1.970) 2.017 10.524 ( -0.079 0.000 0.762) 0.766 10.524 ( -2.190 0.000 0.902) 2.369 10.644 ( -2.860 0.000 -1.129) 3.074 10.648 ( -2.108 0.000 1.173) 2.413 10.695 ( -3.328 0.000 -1.037) 3.486 10.707 ( -0.787 0.000 0.269) 0.832 10.878 ( 7.367 0.000 0.324) 7.374 10.961 ( 5.796 0.000 -0.387) 5.809 13.655 ( 2.653 0.000 1.679) 3.140 13.688 ( -1.202 0.000 -1.911) 2.258 ======================= Grid point 37 (15/66) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -0.323 0.000 -0.269) 0.421 0.674 ( 5.727 0.000 5.372) 7.852 0.789 ( 0.807 0.000 -0.114) 0.815 0.843 ( 0.453 0.000 7.481) 7.495 0.883 ( 7.331 0.000 2.191) 7.652 1.015 ( -0.861 0.000 -2.479) 2.625 1.082 ( 1.245 0.000 0.557) 1.364 1.140 ( -1.452 0.000 2.891) 3.235 1.222 ( -1.525 0.000 -3.011) 3.375 1.255 ( 0.009 0.000 1.205) 1.205 1.318 ( -2.879 0.000 -1.795) 3.393 1.397 ( 1.598 0.000 1.558) 2.232 1.427 ( 4.664 0.000 4.420) 6.425 1.496 ( 2.263 0.000 1.920) 2.968 1.517 ( 0.264 0.000 0.802) 0.844 1.545 ( 3.442 0.000 -0.317) 3.456 1.661 ( -3.446 0.000 -1.963) 3.966 1.695 ( -5.937 0.000 0.211) 5.941 1.885 ( -2.174 0.000 -1.489) 2.636 1.920 ( 1.024 0.000 -3.205) 3.364 1.937 ( 0.712 0.000 2.206) 2.319 2.019 ( -3.091 0.000 3.234) 4.473 2.030 ( -0.023 0.000 -1.150) 1.151 2.042 ( -0.832 0.000 -2.439) 2.577 2.120 ( 0.390 0.000 0.051) 0.394 2.139 ( -2.691 0.000 0.795) 2.806 2.188 ( -1.644 0.000 4.621) 4.904 2.277 ( 3.833 0.000 -1.807) 4.237 2.332 ( 0.190 0.000 1.938) 1.947 2.336 ( 0.742 0.000 2.493) 2.601 2.372 ( -3.365 0.000 -1.906) 3.867 2.438 ( 0.407 0.000 -3.672) 3.694 2.439 ( -1.764 0.000 0.923) 1.991 2.504 ( -1.223 0.000 -3.001) 3.241 2.520 ( 1.055 0.000 0.696) 1.264 2.616 ( 0.168 0.000 -2.838) 2.843 2.679 ( -2.871 0.000 2.003) 3.501 2.697 ( 5.835 0.000 1.608) 6.053 2.839 ( 2.139 0.000 0.614) 2.226 2.858 ( 1.113 0.000 -2.971) 3.173 2.875 ( 0.393 0.000 1.942) 1.981 2.878 ( -1.043 0.000 -1.721) 2.012 2.983 ( -2.187 0.000 -5.427) 5.851 3.002 ( 1.601 0.000 1.387) 2.119 3.015 ( -2.487 0.000 -0.850) 2.628 3.033 ( -1.224 0.000 2.438) 2.728 3.106 ( 4.028 0.000 1.512) 4.302 3.190 ( 1.607 0.000 -2.232) 2.750 3.219 ( 1.170 0.000 -0.746) 1.387 3.315 ( -1.238 0.000 1.388) 1.860 3.317 ( 2.785 0.000 -3.733) 4.657 3.404 ( -1.518 0.000 2.127) 2.613 3.485 ( -0.164 0.000 0.902) 0.917 3.522 ( -2.085 0.000 1.953) 2.857 3.552 ( -0.495 0.000 0.643) 0.812 3.657 ( 3.850 0.000 -3.890) 5.473 3.742 ( -6.644 0.000 4.271) 7.898 3.955 ( -3.545 0.000 3.186) 4.766 4.231 ( 1.676 0.000 -0.057) 1.677 4.255 ( 0.023 0.000 -1.126) 1.126 4.632 ( -1.577 0.000 0.539) 1.667 4.638 ( -0.272 0.000 1.072) 1.106 4.699 ( 0.712 0.000 -1.005) 1.232 4.746 ( -0.501 0.000 0.223) 0.549 4.825 ( 1.530 0.000 1.817) 2.375 4.896 ( 0.507 0.000 0.270) 0.574 5.197 ( -0.585 0.000 -4.193) 4.233 5.222 ( 5.021 0.000 -0.137) 5.023 5.563 ( 0.172 0.000 0.103) 0.200 5.569 ( 0.155 0.000 -0.299) 0.336 5.605 ( -1.977 0.000 0.026) 1.977 5.657 ( 0.232 0.000 -0.638) 0.679 6.757 ( -0.176 0.000 4.997) 5.000 7.074 ( -0.391 0.000 -1.733) 1.776 10.521 ( 0.390 0.000 0.594) 0.711 10.534 ( 0.250 0.000 1.056) 1.086 10.574 ( -3.927 0.000 -1.053) 4.066 10.629 ( -1.225 0.000 0.624) 1.375 10.657 ( -0.605 0.000 -0.203) 0.639 10.691 ( -1.331 0.000 0.130) 1.338 10.992 ( 6.070 0.000 -0.654) 6.105 11.034 ( 4.046 0.000 -1.689) 4.384 13.655 ( -0.728 0.000 -1.267) 1.461 13.707 ( 2.035 0.000 0.556) 2.110 ======================= Grid point 38 (16/66) ======================= q-point: (-0.57 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 3.333 0.000 0.817) 3.431 0.728 ( 1.459 0.000 -3.611) 3.895 0.849 ( -3.076 0.000 3.682) 4.798 0.876 ( 5.439 0.000 1.689) 5.695 0.975 ( -0.498 0.000 -0.760) 0.909 1.008 ( -6.501 0.000 0.427) 6.515 1.068 ( 2.762 0.000 3.367) 4.355 1.128 ( -0.953 0.000 0.935) 1.335 1.230 ( 1.081 0.000 7.022) 7.105 1.269 ( -1.097 0.000 -0.758) 1.333 1.279 ( 0.338 0.000 -1.647) 1.682 1.396 ( -0.445 0.000 -3.399) 3.428 1.403 ( -0.859 0.000 -5.182) 5.253 1.549 ( 0.412 0.000 -1.012) 1.093 1.567 ( 0.936 0.000 3.217) 3.350 1.581 ( 0.915 0.000 0.588) 1.087 1.616 ( 1.131 0.000 -0.368) 1.189 1.623 ( -4.262 0.000 1.253) 4.442 1.841 ( -1.285 0.000 -1.456) 1.942 1.853 ( -1.361 0.000 -7.703) 7.822 1.995 ( -2.367 0.000 2.819) 3.681 1.997 ( 1.773 0.000 0.422) 1.822 2.028 ( -0.300 0.000 2.794) 2.810 2.049 ( 1.712 0.000 0.339) 1.746 2.090 ( -2.595 0.000 2.074) 3.322 2.132 ( 0.866 0.000 2.173) 2.339 2.222 ( -1.047 0.000 5.408) 5.508 2.296 ( -2.745 0.000 -3.611) 4.536 2.310 ( -0.902 0.000 -0.233) 0.931 2.337 ( 0.276 0.000 -2.088) 2.106 2.383 ( 2.944 0.000 3.980) 4.950 2.424 ( 0.290 0.000 -5.498) 5.506 2.438 ( -0.422 0.000 1.832) 1.880 2.446 ( -1.329 0.000 0.254) 1.353 2.560 ( 2.628 0.000 1.306) 2.935 2.608 ( 1.649 0.000 -2.753) 3.209 2.671 ( -0.177 0.000 2.730) 2.736 2.765 ( 0.607 0.000 0.433) 0.746 2.847 ( 0.086 0.000 -2.895) 2.896 2.858 ( 0.591 0.000 -0.479) 0.761 2.858 ( 1.429 0.000 -1.853) 2.340 2.925 ( -0.440 0.000 -1.741) 1.796 2.937 ( 0.389 0.000 0.234) 0.454 2.957 ( 0.012 0.000 2.257) 2.257 3.026 ( 0.206 0.000 0.081) 0.222 3.042 ( -0.393 0.000 1.535) 1.585 3.181 ( 2.158 0.000 2.814) 3.547 3.198 ( 1.361 0.000 -1.150) 1.781 3.238 ( 1.485 0.000 -0.426) 1.545 3.302 ( -1.788 0.000 1.302) 2.212 3.304 ( 0.645 0.000 -4.104) 4.154 3.406 ( -1.687 0.000 2.659) 3.149 3.502 ( 1.284 0.000 0.686) 1.456 3.504 ( -1.895 0.000 1.860) 2.655 3.542 ( -1.082 0.000 0.325) 1.130 3.688 ( 4.662 0.000 -4.552) 6.516 3.700 ( -3.246 0.000 5.337) 6.247 3.916 ( -4.263 0.000 2.179) 4.787 4.251 ( 0.525 0.000 0.014) 0.525 4.252 ( 0.691 0.000 -0.455) 0.828 4.622 ( -0.598 0.000 1.073) 1.228 4.637 ( -0.560 0.000 0.398) 0.688 4.706 ( 0.791 0.000 -0.233) 0.824 4.738 ( -0.103 0.000 -0.760) 0.767 4.860 ( -0.311 0.000 2.289) 2.310 4.906 ( 0.084 0.000 0.520) 0.527 5.147 ( 0.769 0.000 -5.283) 5.338 5.256 ( 1.017 0.000 -3.346) 3.497 5.562 ( -0.169 0.000 -0.421) 0.453 5.568 ( 0.108 0.000 -0.476) 0.488 5.586 ( -0.734 0.000 0.292) 0.790 5.664 ( 0.696 0.000 0.401) 0.803 6.794 ( -1.708 0.000 5.768) 6.016 7.055 ( -0.057 0.000 -1.636) 1.637 10.506 ( -2.084 0.000 -1.691) 2.684 10.537 ( 0.706 0.000 0.511) 0.872 10.559 ( 0.689 0.000 1.902) 2.023 10.619 ( -0.159 0.000 -0.252) 0.298 10.664 ( 0.581 0.000 1.484) 1.594 10.673 ( -1.145 0.000 0.977) 1.505 11.047 ( 2.026 0.000 -2.404) 3.143 11.057 ( 1.547 0.000 -3.295) 3.640 13.647 ( 0.621 0.000 -0.145) 0.638 13.722 ( -0.012 0.000 -1.136) 1.137 ======================= Grid point 39 (17/66) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 2.431 0.000 0.672) 2.522 0.689 ( -4.537 0.000 -0.472) 4.562 0.772 ( -8.969 0.000 1.978) 9.185 0.864 ( -3.308 0.000 -5.756) 6.639 0.927 ( -0.323 0.000 -1.813) 1.842 1.024 ( -0.904 0.000 4.423) 4.514 1.025 ( -4.277 0.000 3.747) 5.686 1.213 ( 0.005 0.000 -2.559) 2.559 1.214 ( -4.810 0.000 -2.755) 5.544 1.235 ( 0.494 0.000 0.479) 0.688 1.296 ( -0.790 0.000 -0.113) 0.798 1.348 ( -0.977 0.000 -1.531) 1.817 1.349 ( -1.182 0.000 1.815) 2.166 1.557 ( -0.256 0.000 2.038) 2.054 1.564 ( 0.576 0.000 -2.330) 2.400 1.577 ( 0.458 0.000 0.647) 0.793 1.598 ( 2.681 0.000 0.563) 2.740 1.712 ( 3.181 0.000 5.259) 6.146 1.783 ( 1.301 0.000 -4.764) 4.939 1.817 ( -0.224 0.000 -0.607) 0.647 1.983 ( -2.898 0.000 -0.328) 2.916 2.015 ( 0.907 0.000 2.988) 3.123 2.028 ( 0.507 0.000 0.203) 0.546 2.074 ( 0.920 0.000 -0.369) 0.991 2.154 ( 4.056 0.000 3.623) 5.439 2.169 ( -0.339 0.000 0.249) 0.421 2.223 ( -1.508 0.000 -1.175) 1.911 2.237 ( -1.730 0.000 2.661) 3.174 2.273 ( -1.205 0.000 -1.885) 2.237 2.327 ( 2.591 0.000 -3.730) 4.542 2.345 ( -1.367 0.000 -4.136) 4.356 2.431 ( -0.604 0.000 1.351) 1.480 2.474 ( 1.390 0.000 1.609) 2.126 2.477 ( 0.570 0.000 5.060) 5.092 2.610 ( 1.671 0.000 -2.639) 3.123 2.618 ( 1.557 0.000 2.543) 2.982 2.723 ( 2.285 0.000 3.168) 3.906 2.742 ( -2.489 0.000 -0.159) 2.494 2.838 ( 2.049 0.000 -1.877) 2.779 2.860 ( -0.703 0.000 -0.508) 0.867 2.866 ( 2.271 0.000 -2.849) 3.643 2.873 ( -3.251 0.000 0.100) 3.253 2.929 ( 1.746 0.000 -0.264) 1.766 3.002 ( -1.725 0.000 -1.045) 2.017 3.045 ( -0.353 0.000 0.028) 0.354 3.051 ( 2.908 0.000 2.090) 3.581 3.204 ( -2.130 0.000 1.380) 2.538 3.213 ( 1.539 0.000 -1.126) 1.907 3.264 ( -1.176 0.000 -2.606) 2.859 3.264 ( 1.516 0.000 0.204) 1.529 3.293 ( -0.331 0.000 2.615) 2.636 3.403 ( -0.012 0.000 0.427) 0.427 3.505 ( -0.415 0.000 2.468) 2.503 3.521 ( -1.953 0.000 3.110) 3.672 3.544 ( 2.385 0.000 -1.257) 2.697 3.723 ( 4.500 0.000 -4.219) 6.168 3.733 ( -0.014 0.000 6.679) 6.679 3.859 ( -4.350 0.000 1.382) 4.564 4.248 ( -0.574 0.000 -0.397) 0.698 4.271 ( 1.581 0.000 0.195) 1.593 4.624 ( -0.752 0.000 0.846) 1.131 4.634 ( 0.020 0.000 0.796) 0.796 4.718 ( 0.780 0.000 -0.244) 0.817 4.728 ( 0.024 0.000 -1.166) 1.167 4.850 ( -2.925 0.000 2.151) 3.631 4.908 ( -0.268 0.000 0.412) 0.492 5.133 ( 3.185 0.000 -5.779) 6.599 5.197 ( -3.092 0.000 -5.183) 6.035 5.551 ( -0.370 0.000 -0.707) 0.798 5.563 ( 0.005 0.000 -0.648) 0.648 5.582 ( -0.507 0.000 0.964) 1.089 5.683 ( 0.782 0.000 0.663) 1.026 6.802 ( -3.672 0.000 5.251) 6.408 7.038 ( -0.500 0.000 -1.435) 1.520 10.476 ( 0.016 0.000 -1.095) 1.095 10.549 ( 0.483 0.000 -0.145) 0.504 10.593 ( 1.443 0.000 1.555) 2.121 10.623 ( 1.568 0.000 -1.255) 2.008 10.681 ( -0.375 0.000 3.898) 3.916 10.700 ( 1.122 0.000 2.846) 3.060 11.014 ( -2.289 0.000 -3.747) 4.391 11.025 ( -0.824 0.000 -4.446) 4.521 13.670 ( 1.779 0.000 0.577) 1.871 13.689 ( -1.971 0.000 -2.147) 2.914 ======================= Grid point 40 (18/66) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -9.101 0.000 -2.221) 9.368 0.544 ( -13.914 0.000 2.283) 14.100 0.694 ( -5.210 0.000 7.627) 9.236 0.753 ( -9.575 0.000 -8.108) 12.547 0.833 ( -3.277 0.000 -3.304) 4.654 0.975 ( -2.873 0.000 -1.765) 3.372 0.985 ( -4.946 0.000 5.969) 7.752 1.123 ( -6.515 0.000 0.839) 6.568 1.182 ( -1.372 0.000 -0.902) 1.642 1.223 ( 0.219 0.000 -1.135) 1.156 1.251 ( -0.234 0.000 1.361) 1.381 1.321 ( -1.444 0.000 -0.930) 1.717 1.431 ( 7.059 0.000 -0.797) 7.104 1.523 ( -1.344 0.000 -4.377) 4.579 1.610 ( 2.376 0.000 4.522) 5.108 1.661 ( 5.824 0.000 2.425) 6.308 1.673 ( 4.186 0.000 0.644) 4.235 1.780 ( -0.996 0.000 3.352) 3.497 1.800 ( 2.336 0.000 0.772) 2.461 1.826 ( 2.480 0.000 0.650) 2.564 1.930 ( -2.491 0.000 -1.775) 3.059 2.022 ( -2.150 0.000 0.113) 2.153 2.046 ( 1.734 0.000 0.041) 1.735 2.071 ( 0.442 0.000 -3.264) 3.294 2.138 ( 0.388 0.000 -0.390) 0.551 2.195 ( -1.314 0.000 -0.156) 1.324 2.230 ( -1.325 0.000 -1.289) 1.848 2.246 ( 0.763 0.000 2.391) 2.510 2.292 ( 4.388 0.000 2.046) 4.841 2.330 ( 3.279 0.000 -2.135) 3.913 2.356 ( 2.545 0.000 0.541) 2.602 2.437 ( 1.165 0.000 -0.077) 1.168 2.497 ( -0.746 0.000 1.216) 1.426 2.499 ( -2.115 0.000 2.358) 3.168 2.620 ( 2.066 0.000 -1.394) 2.492 2.652 ( -0.154 0.000 2.463) 2.468 2.694 ( -3.285 0.000 -0.529) 3.327 2.765 ( -0.284 0.000 1.751) 1.774 2.816 ( -2.056 0.000 0.173) 2.063 2.860 ( -0.130 0.000 -0.261) 0.292 2.876 ( 3.482 0.000 -1.546) 3.810 2.889 ( 3.420 0.000 -1.719) 3.828 2.947 ( -2.286 0.000 -2.958) 3.738 2.971 ( 3.051 0.000 0.095) 3.053 3.021 ( -1.898 0.000 -1.623) 2.497 3.080 ( -1.398 0.000 1.423) 1.995 3.183 ( 0.200 0.000 -0.402) 0.449 3.212 ( 0.849 0.000 -3.054) 3.170 3.239 ( -0.592 0.000 -0.512) 0.782 3.261 ( -1.280 0.000 0.404) 1.342 3.346 ( 1.912 0.000 2.468) 3.122 3.416 ( 1.438 0.000 -0.326) 1.474 3.517 ( -0.992 0.000 2.445) 2.639 3.532 ( -0.066 0.000 3.680) 3.680 3.579 ( 1.209 0.000 2.693) 2.952 3.745 ( 2.154 0.000 -3.046) 3.731 3.809 ( 1.714 0.000 5.510) 5.771 3.813 ( -2.220 0.000 0.797) 2.358 4.233 ( -0.237 0.000 -0.446) 0.505 4.300 ( 1.332 0.000 0.370) 1.382 4.614 ( -1.305 0.000 0.979) 1.632 4.652 ( 0.728 0.000 1.353) 1.537 4.708 ( 0.072 0.000 -2.017) 2.018 4.733 ( 0.559 0.000 -0.061) 0.562 4.827 ( -2.468 0.000 3.276) 4.102 4.907 ( -0.100 0.000 0.084) 0.131 5.073 ( -5.626 0.000 -4.981) 7.514 5.108 ( 0.890 0.000 -8.763) 8.808 5.540 ( -0.246 0.000 -0.479) 0.538 5.559 ( 0.156 0.000 -0.305) 0.343 5.592 ( -0.252 0.000 3.191) 3.201 5.697 ( 0.506 0.000 -0.091) 0.514 6.774 ( -4.683 0.000 3.871) 6.076 7.005 ( -2.091 0.000 -1.315) 2.471 10.482 ( 1.390 0.000 -0.473) 1.468 10.558 ( 1.505 0.000 -0.763) 1.687 10.637 ( 2.381 0.000 1.387) 2.756 10.644 ( 2.415 0.000 -1.430) 2.806 10.741 ( 1.401 0.000 7.256) 7.390 10.744 ( 0.731 0.000 2.855) 2.947 10.918 ( -4.478 0.000 -3.716) 5.819 10.954 ( -2.446 0.000 -4.596) 5.207 13.631 ( -2.359 0.000 -1.708) 2.913 13.707 ( 1.848 0.000 0.360) 1.883 ======================= Grid point 41 (19/66) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( -10.213 0.000 7.859) 12.886 0.289 ( -14.836 0.000 3.330) 15.205 0.521 ( -16.153 0.000 17.417) 23.754 0.660 ( -8.125 0.000 6.526) 10.421 0.834 ( 2.256 0.000 -1.036) 2.483 0.937 ( 2.072 0.000 -4.387) 4.852 0.945 ( -3.047 0.000 -1.116) 3.245 1.058 ( -4.284 0.000 5.299) 6.814 1.156 ( 0.770 0.000 -2.542) 2.656 1.214 ( -0.590 0.000 -0.643) 0.873 1.262 ( -0.369 0.000 -0.115) 0.387 1.305 ( -0.505 0.000 0.714) 0.874 1.463 ( -0.115 0.000 -4.609) 4.611 1.521 ( 5.046 0.000 -2.620) 5.686 1.672 ( 0.632 0.000 0.434) 0.766 1.711 ( -2.416 0.000 -5.534) 6.038 1.751 ( 3.543 0.000 3.791) 5.189 1.761 ( 2.634 0.000 0.155) 2.639 1.834 ( -0.742 0.000 -1.392) 1.577 1.890 ( 0.106 0.000 2.546) 2.548 1.920 ( 2.806 0.000 4.432) 5.245 1.998 ( 0.562 0.000 0.162) 0.585 2.054 ( 0.470 0.000 -1.135) 1.228 2.084 ( 1.741 0.000 -0.011) 1.741 2.144 ( -1.390 0.000 -3.867) 4.109 2.162 ( -0.364 0.000 4.419) 4.434 2.207 ( -0.779 0.000 -0.416) 0.883 2.259 ( -0.301 0.000 0.314) 0.435 2.329 ( -2.033 0.000 -1.705) 2.653 2.355 ( 1.496 0.000 -2.973) 3.328 2.433 ( 2.982 0.000 4.119) 5.085 2.457 ( -1.292 0.000 -1.979) 2.363 2.484 ( 2.433 0.000 -1.223) 2.723 2.494 ( 0.558 0.000 1.094) 1.228 2.607 ( -3.802 0.000 -4.804) 6.126 2.643 ( -3.885 0.000 1.607) 4.204 2.654 ( 1.478 0.000 1.157) 1.877 2.760 ( -0.593 0.000 -0.559) 0.815 2.810 ( 0.199 0.000 0.419) 0.464 2.837 ( -1.829 0.000 -2.671) 3.237 2.893 ( 0.203 0.000 -1.377) 1.392 2.919 ( 3.342 0.000 -1.571) 3.693 2.933 ( 2.721 0.000 -0.350) 2.743 2.959 ( -2.169 0.000 -2.328) 3.182 3.012 ( 1.247 0.000 -0.438) 1.322 3.053 ( -2.925 0.000 1.674) 3.370 3.193 ( -0.610 0.000 -1.255) 1.396 3.205 ( 3.094 0.000 -2.281) 3.844 3.216 ( -0.533 0.000 -1.624) 1.709 3.239 ( -1.467 0.000 0.464) 1.539 3.377 ( -0.599 0.000 1.447) 1.567 3.441 ( 2.157 0.000 -1.399) 2.570 3.535 ( 1.309 0.000 -0.572) 1.428 3.542 ( -2.224 0.000 1.448) 2.654 3.670 ( 3.451 0.000 10.036) 10.613 3.735 ( -0.305 0.000 -5.050) 5.059 3.820 ( 1.552 0.000 4.769) 5.015 3.845 ( -2.600 0.000 -2.290) 3.465 4.241 ( 1.002 0.000 -0.066) 1.004 4.312 ( 0.090 0.000 -0.463) 0.472 4.604 ( -1.266 0.000 1.385) 1.876 4.681 ( 0.535 0.000 2.319) 2.380 4.713 ( 2.170 0.000 -0.686) 2.276 4.739 ( 1.157 0.000 -0.202) 1.175 4.838 ( -0.756 0.000 3.899) 3.972 4.901 ( -0.379 0.000 -1.189) 1.248 4.956 ( -3.000 0.000 -1.825) 3.512 4.985 ( -4.643 0.000 -4.215) 6.271 5.537 ( 0.091 0.000 0.117) 0.149 5.561 ( 0.261 0.000 -0.168) 0.311 5.668 ( 4.871 0.000 6.325) 7.983 5.696 ( 0.217 0.000 -1.179) 1.198 6.731 ( -3.932 0.000 2.684) 4.761 6.958 ( -2.138 0.000 2.501) 3.291 10.503 ( 1.209 0.000 0.008) 1.209 10.589 ( 2.761 0.000 -0.460) 2.799 10.672 ( 2.186 0.000 -1.139) 2.464 10.691 ( 2.262 0.000 0.626) 2.347 10.773 ( 0.168 0.000 2.237) 2.244 10.807 ( -2.107 0.000 -2.124) 2.992 10.850 ( 0.396 0.000 1.170) 1.235 10.871 ( -2.283 0.000 -3.785) 4.420 13.593 ( -0.864 0.000 -0.130) 0.874 13.729 ( 0.821 0.000 -0.605) 1.020 ======================= Grid point 42 (20/66) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 2.341 3.844 7.700) 8.919 0.422 ( -5.216 4.192 12.517) 14.194 0.591 ( -7.676 2.852 6.954) 10.743 0.764 ( 0.863 -5.299 -0.766) 5.423 0.807 ( 6.158 11.946 15.293) 20.359 0.919 ( 2.626 0.056 -0.547) 2.683 0.946 ( 0.055 1.204 1.620) 2.019 1.049 ( -1.479 -1.198 6.814) 7.075 1.127 ( 0.051 -4.360 0.384) 4.378 1.185 ( 2.762 0.733 -1.797) 3.376 1.238 ( -0.461 -2.073 -1.272) 2.476 1.323 ( -0.102 1.737 0.153) 1.746 1.418 ( 1.630 -1.771 -3.217) 4.018 1.446 ( -0.497 -6.431 -2.953) 7.094 1.587 ( -0.890 -0.580 -5.495) 5.596 1.631 ( -3.534 -1.358 -1.796) 4.190 1.785 ( 0.046 0.230 1.539) 1.557 1.821 ( -0.910 -0.495 1.310) 1.670 1.829 ( 0.020 -0.166 2.455) 2.461 1.940 ( 0.193 -0.079 -1.860) 1.872 1.980 ( -0.853 -1.961 1.312) 2.509 2.005 ( 0.211 3.795 1.959) 4.276 2.073 ( 1.048 1.442 -2.071) 2.733 2.100 ( 0.516 -2.889 0.283) 2.948 2.110 ( -0.024 -1.103 1.623) 1.963 2.173 ( -0.110 1.785 -1.836) 2.563 2.232 ( 1.027 0.923 -1.568) 2.089 2.243 ( 0.226 1.370 3.496) 3.761 2.292 ( -1.605 2.476 1.710) 3.411 2.349 ( -3.090 -1.510 -6.248) 7.132 2.422 ( 1.574 2.459 -0.836) 3.037 2.500 ( -1.186 -0.957 1.843) 2.392 2.528 ( 2.469 1.413 -1.461) 3.198 2.547 ( 0.279 1.811 0.128) 1.837 2.576 ( -2.132 3.316 -2.126) 4.479 2.592 ( 1.034 2.790 -2.710) 4.025 2.699 ( 0.840 0.597 -0.070) 1.033 2.734 ( -1.154 -0.950 -0.115) 1.499 2.783 ( -0.520 -2.587 -0.222) 2.648 2.801 ( -0.167 -2.717 -0.091) 2.724 2.871 ( 1.329 -0.544 -1.668) 2.201 2.916 ( -0.261 -3.948 -1.983) 4.426 2.983 ( 0.270 4.032 -4.330) 5.923 2.985 ( 2.058 2.186 -4.073) 5.060 3.006 ( -0.066 1.446 -0.515) 1.536 3.053 ( -0.365 1.566 0.242) 1.626 3.133 ( 0.851 -3.366 -0.705) 3.543 3.171 ( 1.161 -1.437 -4.761) 5.107 3.267 ( 0.989 2.634 0.214) 2.822 3.294 ( 0.130 2.087 -2.460) 3.229 3.380 ( -3.615 3.296 0.008) 4.892 3.469 ( 1.508 1.954 -1.675) 2.983 3.485 ( -2.301 -2.372 -0.513) 3.345 3.559 ( -0.348 0.965 -0.446) 1.118 3.607 ( -5.047 -0.134 1.451) 5.253 3.723 ( -3.883 0.196 2.733) 4.752 3.798 ( -0.802 1.420 3.300) 3.681 3.898 ( 1.504 -1.431 4.181) 4.668 4.240 ( -0.941 0.354 -1.246) 1.600 4.282 ( -0.718 -1.203 -1.807) 2.286 4.617 ( -0.343 1.103 0.773) 1.390 4.671 ( -1.225 -1.378 0.157) 1.851 4.721 ( -0.658 0.752 0.380) 1.069 4.753 ( -0.941 -0.659 0.354) 1.202 4.804 ( -1.622 0.971 1.874) 2.662 4.878 ( 0.341 -1.524 -0.240) 1.580 4.965 ( 4.409 -0.399 2.727) 5.199 5.010 ( 7.845 -5.475 7.039) 11.877 5.550 ( 0.319 0.360 0.014) 0.481 5.561 ( 0.217 -0.278 -0.043) 0.355 5.679 ( -0.147 -0.355 -1.522) 1.570 5.697 ( -0.717 -2.156 -0.071) 2.274 6.747 ( -1.711 3.796 2.522) 4.868 6.960 ( 2.084 -6.189 3.430) 7.377 10.548 ( 0.601 2.316 -0.819) 2.529 10.641 ( 1.326 2.231 -1.052) 2.800 10.659 ( -0.775 -2.197 -1.022) 2.544 10.706 ( -1.054 0.301 -1.718) 2.038 10.754 ( -1.373 1.622 1.037) 2.365 10.781 ( -3.386 1.851 -2.529) 4.614 10.794 ( -1.770 0.794 -0.334) 1.968 10.850 ( 4.125 -1.685 -0.836) 4.534 13.620 ( 1.088 1.557 0.941) 2.120 13.702 ( -0.256 -1.683 -1.178) 2.071 ======================= Grid point 43 (21/66) ======================= q-point: ( 0.14 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -3.582 -0.960 4.611) 5.917 0.505 ( 1.331 -1.421 8.396) 8.619 0.652 ( 6.270 3.259 10.014) 12.256 0.774 ( 1.124 -1.903 -0.371) 2.241 0.891 ( -0.954 -0.230 -1.794) 2.045 0.946 ( 3.298 -1.426 3.054) 4.715 1.069 ( 1.203 0.445 0.312) 1.320 1.119 ( -1.914 -3.742 0.204) 4.208 1.176 ( 5.946 2.710 12.583) 14.178 1.220 ( 4.044 1.902 1.122) 4.607 1.266 ( 1.251 -3.318 3.420) 4.927 1.319 ( -1.981 1.788 0.513) 2.717 1.389 ( 0.204 -1.343 -2.818) 3.128 1.428 ( 1.940 -2.492 -1.600) 3.540 1.525 ( 0.216 0.740 -3.516) 3.600 1.585 ( -1.301 -0.100 -0.674) 1.469 1.757 ( -3.271 1.318 -2.698) 4.440 1.796 ( -4.666 0.216 1.959) 5.065 1.834 ( -1.130 -3.108 3.388) 4.734 1.935 ( 2.463 0.984 -2.971) 3.982 1.972 ( -1.630 -4.414 2.568) 5.360 2.043 ( -2.072 3.125 -2.449) 4.478 2.052 ( 1.950 4.170 1.366) 4.802 2.101 ( -1.704 0.229 -0.574) 1.813 2.111 ( 0.142 -0.489 -0.079) 0.515 2.174 ( 0.239 0.008 -0.244) 0.342 2.200 ( 1.116 -0.181 -2.357) 2.614 2.250 ( -1.107 0.857 -3.402) 3.678 2.284 ( 0.220 1.049 0.597) 1.227 2.324 ( 0.269 0.989 4.057) 4.185 2.429 ( -0.313 0.845 -0.306) 0.952 2.483 ( -2.252 -0.071 1.879) 2.934 2.513 ( -2.044 2.680 -2.331) 4.098 2.533 ( -0.369 2.754 -1.147) 3.006 2.569 ( -1.662 1.059 -2.836) 3.453 2.592 ( 3.889 0.971 0.428) 4.031 2.662 ( -2.286 0.197 -1.259) 2.617 2.699 ( -1.978 -0.891 -0.727) 2.288 2.790 ( 0.726 -3.201 2.586) 4.178 2.816 ( 1.166 -2.278 -0.630) 2.636 2.880 ( 2.083 0.251 -2.723) 3.438 2.914 ( 0.895 0.203 -3.155) 3.286 2.953 ( 1.317 -0.405 -1.360) 1.936 2.987 ( 0.620 -0.872 -0.885) 1.388 3.009 ( 1.006 1.002 -0.633) 1.554 3.053 ( -0.447 -0.221 1.114) 1.221 3.104 ( -2.123 -1.495 -4.531) 5.222 3.171 ( 3.134 -2.369 -2.466) 4.639 3.241 ( -2.660 2.608 -1.328) 3.955 3.289 ( 2.194 0.983 -1.780) 2.991 3.356 ( -0.521 2.590 0.960) 2.811 3.442 ( -3.532 -2.387 2.721) 5.057 3.467 ( 1.023 2.065 -2.628) 3.495 3.544 ( -0.674 -0.832 -0.581) 1.218 3.579 ( -1.445 4.134 3.075) 5.351 3.703 ( -0.830 3.310 0.819) 3.509 3.793 ( -4.086 -0.053 3.906) 5.653 3.937 ( -1.230 -2.720 3.608) 4.683 4.215 ( 0.104 0.178 -1.167) 1.185 4.254 ( -0.247 -1.365 -1.862) 2.321 4.625 ( 0.018 0.180 0.983) 1.000 4.649 ( -1.553 -0.911 0.097) 1.803 4.713 ( -0.203 0.810 -0.400) 0.926 4.742 ( -0.667 -0.517 1.078) 1.370 4.810 ( 0.063 1.451 1.288) 1.941 4.882 ( 0.268 -0.956 0.083) 0.996 5.098 ( 7.066 -0.401 2.729) 7.585 5.154 ( 4.513 -4.239 0.830) 6.247 5.557 ( 0.441 0.172 0.160) 0.499 5.566 ( 0.327 -0.208 -0.074) 0.394 5.652 ( -2.312 -0.268 -0.715) 2.435 5.665 ( -0.733 -0.375 -1.391) 1.616 6.760 ( -0.138 4.025 3.211) 5.150 7.007 ( 0.895 -7.035 0.788) 7.135 10.541 ( -0.390 2.142 -0.093) 2.179 10.620 ( -3.553 3.162 -1.184) 4.902 10.626 ( -1.026 1.920 -1.085) 2.432 10.659 ( -1.327 1.134 0.362) 1.782 10.689 ( -3.849 -0.465 -0.504) 3.910 10.753 ( 0.129 3.572 -0.509) 3.610 10.849 ( 5.794 -2.716 0.137) 6.400 10.928 ( 4.805 -3.088 -0.203) 5.716 13.659 ( 2.097 0.389 1.158) 2.427 13.682 ( -0.630 -0.523 -1.377) 1.602 ======================= Grid point 44 (22/66) ======================= q-point: ( 0.29 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -1.101 0.814 1.107) 1.761 0.596 ( 1.495 -6.379 4.526) 7.964 0.793 ( 1.852 0.883 0.961) 2.266 0.872 ( 7.226 1.223 6.987) 10.126 0.908 ( 4.056 2.724 1.885) 5.236 1.030 ( 0.925 -0.377 2.904) 3.070 1.043 ( -3.801 -3.372 -2.474) 5.651 1.081 ( 1.221 -1.599 -0.243) 2.026 1.186 ( -3.933 -4.490 -1.688) 6.204 1.259 ( 1.060 -1.886 -1.304) 2.526 1.313 ( 1.349 1.624 0.201) 2.120 1.356 ( -0.633 -1.258 2.435) 2.813 1.418 ( 2.481 -1.272 1.826) 3.333 1.465 ( 2.303 -1.906 2.436) 3.856 1.557 ( -1.003 0.665 0.466) 1.290 1.570 ( 2.396 1.130 -0.882) 2.792 1.664 ( -3.200 2.834 -0.759) 4.341 1.747 ( -2.489 4.170 1.016) 4.961 1.830 ( -1.071 -3.741 -0.220) 3.898 1.943 ( 1.121 1.373 -4.715) 5.037 1.967 ( -3.649 -1.138 2.821) 4.751 2.008 ( 0.166 0.426 3.041) 3.075 2.057 ( -0.929 2.001 -1.064) 2.450 2.077 ( 0.550 3.244 -0.636) 3.351 2.112 ( -2.120 -1.249 1.212) 2.743 2.149 ( -0.889 1.442 -0.772) 1.862 2.214 ( 0.042 0.786 1.811) 1.975 2.240 ( 1.380 -1.789 -0.986) 2.466 2.286 ( 0.004 -0.184 0.457) 0.493 2.371 ( 2.097 1.750 2.006) 3.389 2.407 ( -1.281 0.886 -0.245) 1.577 2.451 ( -1.657 2.024 -3.120) 4.072 2.461 ( -2.551 1.076 -0.164) 2.774 2.509 ( -1.649 -0.026 -2.579) 3.062 2.517 ( -0.512 0.263 -0.630) 0.854 2.633 ( 0.582 0.090 -1.433) 1.549 2.669 ( 3.726 -1.964 1.483) 4.465 2.679 ( -1.332 0.097 2.104) 2.492 2.821 ( 1.115 -2.056 -1.393) 2.722 2.839 ( 1.736 -1.228 1.014) 2.356 2.865 ( -0.648 -0.760 -2.244) 2.456 2.906 ( 2.003 2.537 -1.063) 3.403 2.948 ( -1.564 -2.583 -2.551) 3.952 2.993 ( 1.115 -0.959 1.074) 1.821 3.026 ( 0.803 0.733 -1.824) 2.124 3.055 ( 0.061 0.802 1.506) 1.707 3.070 ( 1.090 -1.637 -0.062) 1.967 3.182 ( 1.180 -1.034 -2.029) 2.564 3.215 ( 0.726 0.748 -0.799) 1.313 3.308 ( 2.215 -0.313 -2.365) 3.255 3.338 ( -2.699 0.916 1.027) 3.030 3.426 ( -2.644 -0.310 3.648) 4.516 3.463 ( 1.511 0.683 -2.276) 2.816 3.527 ( -1.429 -0.582 0.222) 1.559 3.588 ( -0.183 3.957 1.664) 4.297 3.700 ( -0.687 1.338 0.596) 1.618 3.756 ( -3.260 3.047 2.566) 5.147 3.930 ( -3.027 -2.548 2.894) 4.902 4.224 ( 1.347 -0.599 -0.350) 1.515 4.240 ( 0.149 -1.295 -1.131) 1.726 4.628 ( -1.119 -0.338 0.498) 1.271 4.630 ( -0.406 -0.533 0.655) 0.937 4.711 ( 0.562 0.955 -0.510) 1.220 4.742 ( -0.372 -0.417 0.243) 0.609 4.831 ( 0.720 0.777 1.582) 1.904 4.889 ( 0.039 -0.899 0.677) 1.126 5.186 ( 1.242 -0.574 -2.793) 3.110 5.212 ( 4.775 -1.005 -0.326) 4.890 5.565 ( 0.414 0.164 -0.103) 0.457 5.569 ( 0.254 -0.023 -0.236) 0.347 5.613 ( -1.639 0.734 -0.201) 1.807 5.649 ( -0.037 -0.746 -0.714) 1.033 6.795 ( -0.079 3.680 4.214) 5.595 7.014 ( 0.037 -5.367 -0.254) 5.373 10.543 ( 0.414 2.037 0.116) 2.082 10.563 ( -2.993 0.702 0.888) 3.200 10.575 ( -3.261 0.829 -1.023) 3.516 10.643 ( -0.650 -0.872 0.354) 1.144 10.670 ( 1.069 4.408 -0.215) 4.541 10.747 ( -0.319 5.004 -0.640) 5.055 10.942 ( 5.127 -4.769 -0.542) 7.023 10.989 ( 3.270 -4.314 -1.410) 5.594 13.662 ( -0.299 0.702 -0.987) 1.248 13.699 ( 1.653 -0.774 0.299) 1.849 ======================= Grid point 45 (23/66) ======================= q-point: (-0.57 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 2.266 0.330 1.847) 2.942 0.632 ( -0.166 -7.544 2.100) 7.833 0.834 ( 1.702 0.704 -1.376) 2.299 0.905 ( -3.917 -1.564 -2.463) 4.884 0.976 ( -1.932 -0.377 -0.963) 2.191 1.028 ( 1.203 -1.976 2.722) 3.572 1.044 ( -0.662 2.126 3.540) 4.182 1.094 ( 2.994 0.920 0.815) 3.236 1.187 ( 0.445 -4.345 3.936) 5.880 1.260 ( -1.640 -3.981 -4.244) 6.046 1.287 ( 1.066 2.386 0.986) 2.793 1.354 ( -1.104 -0.322 -1.757) 2.100 1.466 ( 0.598 -1.116 -1.762) 2.170 1.499 ( 1.008 -0.555 2.360) 2.626 1.526 ( -1.980 -1.166 0.974) 2.496 1.574 ( 1.209 -0.322 0.720) 1.444 1.668 ( 0.395 4.233 -1.467) 4.497 1.708 ( -2.230 5.201 1.071) 5.760 1.815 ( -0.903 -2.159 -0.567) 2.408 1.871 ( -1.512 0.079 -5.102) 5.321 1.949 ( -1.474 -1.113 1.532) 2.400 2.025 ( -1.375 -1.620 1.086) 2.387 2.056 ( -0.158 1.579 0.880) 1.815 2.070 ( -0.769 1.895 0.746) 2.177 2.106 ( 1.075 3.115 1.306) 3.545 2.148 ( 0.851 1.269 1.174) 1.927 2.237 ( -1.245 0.451 0.836) 1.566 2.245 ( 0.490 -0.486 1.957) 2.075 2.308 ( 0.428 -0.605 1.611) 1.773 2.362 ( -1.554 0.203 -3.523) 3.856 2.398 ( 0.309 -0.933 -3.118) 3.269 2.421 ( -0.320 1.271 -0.821) 1.546 2.448 ( -0.758 1.372 -1.033) 1.877 2.457 ( 0.732 1.146 2.442) 2.795 2.530 ( 1.761 -1.579 1.322) 2.710 2.637 ( 0.829 1.752 -0.919) 2.145 2.684 ( -0.262 0.269 1.718) 1.759 2.726 ( 0.800 -2.877 1.606) 3.390 2.820 ( -0.277 -1.827 -0.871) 2.042 2.841 ( 0.550 -1.016 -1.543) 1.927 2.859 ( 1.684 -1.004 -1.633) 2.551 2.905 ( 0.241 -0.439 -3.658) 3.693 2.955 ( 1.462 1.171 2.453) 3.086 3.014 ( 0.494 2.344 -0.268) 2.411 3.023 ( -0.184 0.346 2.121) 2.157 3.052 ( 0.179 1.911 -0.554) 1.998 3.110 ( 1.229 -4.043 1.939) 4.649 3.198 ( 2.099 -1.450 -0.227) 2.561 3.235 ( 2.091 0.018 -0.538) 2.159 3.286 ( -2.187 -1.261 -1.510) 2.942 3.324 ( -0.028 1.540 0.132) 1.546 3.408 ( -3.023 -0.547 2.838) 4.182 3.475 ( 1.593 -0.574 -0.965) 1.949 3.506 ( -0.896 -0.659 0.016) 1.112 3.600 ( -0.176 4.434 1.133) 4.580 3.696 ( -1.163 0.080 2.828) 3.059 3.749 ( 0.588 4.425 0.106) 4.466 3.898 ( -3.684 -1.859 2.062) 4.613 4.237 ( 0.728 -1.072 -0.435) 1.367 4.240 ( 0.641 -1.022 -0.189) 1.221 4.623 ( -0.430 0.016 1.001) 1.090 4.629 ( -0.385 -0.538 0.620) 0.906 4.719 ( 0.800 0.907 -0.478) 1.301 4.736 ( -0.079 -0.113 -0.473) 0.493 4.853 ( -0.339 -0.419 1.831) 1.909 4.888 ( -0.950 -1.527 0.459) 1.856 5.167 ( 1.076 1.787 -4.453) 4.917 5.243 ( 1.057 -1.311 -3.348) 3.748 5.568 ( 0.283 0.342 -0.503) 0.671 5.569 ( 0.196 0.172 -0.444) 0.515 5.594 ( -0.828 0.918 0.252) 1.261 5.651 ( 0.576 -1.185 0.241) 1.339 6.826 ( -1.426 3.152 4.803) 5.919 7.010 ( -0.235 -4.200 -0.377) 4.224 10.513 ( -2.089 0.637 -0.811) 2.329 10.540 ( -0.429 0.007 0.245) 0.494 10.566 ( 0.691 1.159 1.215) 1.816 10.646 ( 0.155 -1.258 0.857) 1.530 10.691 ( 1.089 5.908 0.666) 6.045 10.734 ( -0.356 5.763 -0.634) 5.809 10.990 ( 1.795 -5.474 -1.993) 6.096 11.006 ( 1.212 -4.930 -2.879) 5.837 13.658 ( 0.533 1.050 -0.287) 1.212 13.711 ( 0.085 -1.070 -0.989) 1.460 ======================= Grid point 46 (24/66) ======================= q-point: (-0.43 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 3.631 0.596 2.281) 4.329 0.645 ( -0.867 -4.568 1.945) 5.040 0.741 ( -8.160 -0.172 -0.594) 8.184 0.864 ( -6.065 -0.172 -5.354) 8.092 0.891 ( 0.186 -3.187 -1.122) 3.384 0.990 ( -4.513 -3.864 2.269) 6.360 1.086 ( -2.135 3.731 2.661) 5.056 1.139 ( -4.621 -1.911 -5.516) 7.446 1.184 ( 3.521 -3.576 0.630) 5.058 1.205 ( -0.237 -2.210 1.178) 2.515 1.297 ( -1.902 0.204 -1.477) 2.417 1.350 ( -0.133 2.931 2.779) 4.042 1.441 ( -1.832 2.285 -0.953) 3.080 1.487 ( -2.626 -5.174 2.315) 6.247 1.574 ( 0.177 0.710 -1.433) 1.609 1.588 ( 0.345 0.348 -0.061) 0.493 1.604 ( 3.756 3.201 0.920) 5.020 1.762 ( -0.982 -1.363 -1.351) 2.156 1.788 ( 2.623 4.164 4.633) 6.759 1.846 ( 1.567 2.384 -1.996) 3.482 1.964 ( -0.210 -3.092 2.783) 4.166 2.021 ( 1.763 -0.977 0.403) 2.056 2.046 ( -1.487 2.534 -1.967) 3.536 2.065 ( -0.564 1.509 1.307) 2.074 2.154 ( 1.406 -0.436 0.683) 1.623 2.179 ( 1.843 -2.172 0.692) 2.931 2.199 ( -1.384 0.686 -3.417) 3.750 2.247 ( -1.914 0.742 -2.252) 3.047 2.285 ( -0.642 2.692 2.147) 3.503 2.351 ( 0.107 0.056 -1.507) 1.512 2.371 ( 1.634 1.809 -3.498) 4.264 2.421 ( 1.024 -2.009 1.315) 2.610 2.442 ( 0.335 0.952 2.006) 2.245 2.524 ( 1.248 2.603 3.376) 4.442 2.582 ( 1.886 -3.119 2.017) 4.165 2.633 ( -0.254 1.527 -1.044) 1.867 2.699 ( -0.045 -2.031 0.939) 2.238 2.735 ( -0.111 -0.392 1.269) 1.333 2.808 ( 0.213 -2.548 -0.796) 2.678 2.833 ( -1.296 -1.734 -0.755) 2.293 2.862 ( 0.950 -0.536 -1.119) 1.563 2.896 ( 2.029 0.621 -2.216) 3.068 2.973 ( 0.178 2.879 0.355) 2.907 3.010 ( -0.910 2.485 -1.577) 3.081 3.039 ( 1.020 0.429 0.815) 1.374 3.076 ( 0.739 0.686 1.463) 1.777 3.139 ( 0.047 -3.418 2.293) 4.116 3.224 ( 1.075 -1.223 -0.662) 1.758 3.241 ( -0.705 -0.113 -1.815) 1.951 3.279 ( 2.944 0.666 0.424) 3.048 3.325 ( 0.012 1.786 1.393) 2.265 3.392 ( -1.394 -1.182 1.789) 2.558 3.490 ( 1.046 -0.417 -0.448) 1.212 3.509 ( 0.531 -1.171 0.687) 1.458 3.603 ( -0.694 4.539 1.264) 4.762 3.721 ( 0.580 -0.545 3.275) 3.371 3.767 ( 1.167 2.862 0.167) 3.095 3.852 ( -3.551 -0.789 1.508) 3.938 4.241 ( -0.109 -0.574 -0.343) 0.678 4.256 ( 1.468 -1.249 0.099) 1.930 4.626 ( -0.515 0.165 0.911) 1.059 4.633 ( 0.085 -0.131 1.041) 1.053 4.725 ( 0.589 0.529 -1.017) 1.289 4.731 ( 0.090 0.272 -0.677) 0.735 4.844 ( -2.615 -0.448 1.991) 3.317 4.880 ( -0.290 -2.303 0.501) 2.375 5.139 ( 0.579 0.716 -5.335) 5.414 5.186 ( -2.909 -1.020 -5.111) 5.968 5.565 ( 0.004 0.237 -0.723) 0.760 5.568 ( 0.265 0.577 -0.830) 1.045 5.590 ( -0.241 1.395 1.054) 1.765 5.669 ( 0.892 -1.352 0.576) 1.719 6.832 ( -3.226 2.899 4.447) 6.212 6.997 ( -1.132 -3.762 -0.206) 3.934 10.491 ( 0.383 1.419 -0.869) 1.708 10.547 ( 1.028 -0.654 -0.014) 1.218 10.593 ( 0.987 1.261 1.447) 2.158 10.663 ( 1.075 0.139 0.669) 1.274 10.717 ( 0.726 3.861 1.633) 4.255 10.731 ( 0.195 5.170 0.950) 5.260 10.964 ( -1.749 -4.823 -3.228) 6.061 10.978 ( -0.689 -4.579 -3.726) 5.944 13.672 ( 1.213 0.241 0.181) 1.250 13.686 ( -1.436 -0.279 -1.746) 2.278 ======================= Grid point 47 (25/66) ======================= q-point: (-0.29 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -6.534 6.162 -2.159) 9.238 0.598 ( -10.099 4.661 1.749) 11.259 0.633 ( -4.392 -1.719 4.708) 6.665 0.760 ( 1.602 -2.719 -4.416) 5.427 0.830 ( -7.248 -1.879 1.458) 7.629 0.954 ( -4.431 -6.381 2.692) 8.222 0.976 ( -3.999 1.698 -3.414) 5.526 1.059 ( -5.017 -1.721 1.347) 5.473 1.187 ( -0.443 -1.084 -1.303) 1.752 1.213 ( -5.208 1.464 -0.762) 5.464 1.269 ( 2.142 -0.974 0.265) 2.368 1.323 ( -1.075 3.289 1.121) 3.638 1.417 ( 0.956 -2.493 -1.617) 3.122 1.486 ( -1.353 -3.607 -0.857) 3.947 1.587 ( 2.071 -0.615 2.363) 3.202 1.638 ( 2.878 -1.992 2.363) 4.223 1.701 ( 4.780 2.007 0.954) 5.272 1.757 ( 1.788 -0.949 -0.297) 2.046 1.847 ( -0.873 3.433 3.682) 5.109 1.877 ( 3.242 3.790 0.312) 4.997 1.967 ( -2.162 2.968 -2.311) 4.338 2.005 ( 0.482 -4.921 1.323) 5.118 2.046 ( -0.372 1.288 0.250) 1.364 2.097 ( 1.962 1.891 0.716) 2.817 2.123 ( 0.006 2.157 -4.551) 5.037 2.162 ( -1.109 -3.699 0.005) 3.862 2.181 ( 0.089 -2.372 -0.585) 2.445 2.247 ( 0.406 -2.060 -0.333) 2.126 2.316 ( 1.248 2.835 -0.019) 3.098 2.350 ( 3.703 0.442 0.680) 3.791 2.387 ( 2.164 2.475 -0.547) 3.333 2.460 ( 1.605 -0.111 0.567) 1.706 2.479 ( 1.250 1.845 1.614) 2.752 2.533 ( -2.005 1.779 1.234) 2.951 2.603 ( 0.007 -1.246 -0.694) 1.426 2.639 ( 1.235 -1.491 1.192) 2.273 2.687 ( -1.512 -0.856 -0.306) 1.764 2.745 ( -0.360 -0.185 0.173) 0.440 2.795 ( -1.768 -4.615 -0.463) 4.964 2.820 ( 1.060 -1.514 0.762) 1.999 2.890 ( 0.855 0.126 -1.917) 2.103 2.903 ( 2.218 0.083 -0.388) 2.254 2.978 ( 0.059 3.271 -2.314) 4.007 2.985 ( 1.289 3.229 -0.661) 3.539 3.045 ( -1.239 -1.003 0.014) 1.594 3.083 ( 0.459 2.203 -0.533) 2.312 3.163 ( 1.716 -1.283 -0.368) 2.174 3.215 ( -0.907 -1.820 -1.884) 2.772 3.234 ( 0.711 2.291 -0.225) 2.410 3.307 ( 0.669 2.955 -0.097) 3.031 3.377 ( 2.649 1.052 2.782) 3.983 3.400 ( 0.728 -0.613 1.377) 1.674 3.504 ( 1.321 -0.714 -0.502) 1.583 3.527 ( -0.178 -1.483 2.943) 3.301 3.607 ( -0.650 3.517 2.221) 4.210 3.767 ( -1.171 -2.885 4.192) 5.222 3.771 ( 1.593 2.085 -1.378) 2.964 3.829 ( -1.199 0.214 1.944) 2.294 4.234 ( 0.148 0.251 -0.395) 0.491 4.283 ( 1.337 -1.540 0.278) 2.058 4.624 ( -0.830 0.836 1.167) 1.658 4.649 ( 0.540 -0.262 1.420) 1.541 4.713 ( 0.060 0.437 -1.968) 2.017 4.731 ( 0.324 -0.192 -0.503) 0.628 4.827 ( -2.081 0.070 3.155) 3.780 4.884 ( -0.250 -2.299 1.014) 2.526 5.063 ( -4.503 -1.534 -5.890) 7.571 5.066 ( -4.488 -1.415 -5.649) 7.353 5.556 ( -0.069 0.406 -0.872) 0.965 5.563 ( 0.109 0.248 -0.638) 0.693 5.610 ( 0.996 2.111 2.158) 3.179 5.686 ( 0.747 -1.077 -0.025) 1.312 6.806 ( -4.230 2.995 3.451) 6.226 6.965 ( -2.704 -3.575 0.174) 4.485 10.505 ( 2.012 2.035 -0.939) 3.011 10.570 ( 2.277 0.270 -0.941) 2.478 10.626 ( 1.357 0.748 1.595) 2.224 10.691 ( 2.148 1.909 -0.517) 2.920 10.740 ( -0.009 0.426 1.705) 1.757 10.772 ( 1.828 2.956 4.359) 5.575 10.886 ( -3.437 -3.136 -3.450) 5.792 10.922 ( -1.773 -3.023 -3.444) 4.914 13.642 ( -1.758 1.020 -1.398) 2.467 13.695 ( 1.219 -1.090 0.067) 1.637 ======================= Grid point 48 (26/66) ======================= q-point: (-0.14 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -8.121 8.237 1.887) 11.720 0.422 ( -7.227 10.590 4.861) 13.712 0.630 ( -6.235 3.369 12.010) 13.945 0.716 ( -10.998 8.603 8.877) 16.546 0.767 ( 1.334 -6.018 -2.807) 6.773 0.889 ( 0.658 -1.875 -2.151) 2.928 0.951 ( 0.633 -0.683 -1.740) 1.974 1.027 ( -3.593 -1.990 6.662) 7.826 1.133 ( -1.781 -4.209 0.418) 4.590 1.187 ( 0.605 1.894 -3.414) 3.951 1.268 ( -0.815 -1.475 -1.810) 2.473 1.324 ( -0.180 1.900 0.724) 2.041 1.433 ( 1.068 -5.173 -2.033) 5.659 1.447 ( 1.039 -4.208 -2.648) 5.079 1.630 ( 0.457 -1.365 -1.406) 2.012 1.687 ( 0.243 -2.821 0.938) 2.983 1.755 ( 1.305 0.121 0.732) 1.502 1.782 ( 1.176 0.311 1.061) 1.614 1.844 ( -0.749 1.941 -1.393) 2.504 1.920 ( 0.937 3.881 0.962) 4.107 1.970 ( 2.994 1.991 1.717) 3.985 1.999 ( -1.105 -0.225 -0.413) 1.201 2.067 ( 1.291 0.738 -0.351) 1.528 2.076 ( -0.104 -2.031 1.520) 2.539 2.124 ( -2.425 -4.384 -0.705) 5.059 2.163 ( 2.536 3.781 0.742) 4.613 2.198 ( 0.806 0.606 1.458) 1.772 2.241 ( -0.697 -4.166 -0.116) 4.225 2.316 ( 0.143 3.473 -1.280) 3.704 2.408 ( 0.369 2.214 -0.489) 2.297 2.441 ( -0.575 -1.220 -2.082) 2.481 2.454 ( 3.333 0.098 0.609) 3.390 2.510 ( 1.909 2.132 -0.714) 2.949 2.529 ( 1.479 1.499 -0.616) 2.194 2.603 ( -0.286 -1.501 0.045) 1.529 2.643 ( -2.252 2.293 -2.391) 4.006 2.664 ( 0.938 0.252 0.754) 1.229 2.753 ( 1.893 -1.397 -0.668) 2.445 2.757 ( -0.977 -4.950 -1.055) 5.155 2.840 ( -1.613 0.417 1.204) 2.056 2.861 ( 0.281 0.380 -1.667) 1.733 2.939 ( 1.193 -3.226 -0.715) 3.513 2.966 ( 0.377 1.551 -0.724) 1.752 3.005 ( 1.558 4.248 -1.830) 4.881 3.020 ( 0.007 -1.064 -0.936) 1.418 3.075 ( 1.700 5.304 -6.518) 8.573 3.161 ( -1.800 -2.656 -1.562) 3.568 3.183 ( 0.789 -0.932 -2.482) 2.766 3.248 ( 0.868 3.043 0.431) 3.193 3.308 ( 0.169 3.068 -1.254) 3.318 3.415 ( 0.004 2.926 -0.164) 2.930 3.440 ( 2.322 0.634 0.907) 2.572 3.514 ( 0.471 -1.676 -1.830) 2.526 3.565 ( -0.095 -0.259 3.022) 3.035 3.622 ( -0.423 -0.504 4.004) 4.058 3.762 ( -2.846 -1.045 2.918) 4.208 3.799 ( 0.370 -0.360 0.166) 0.542 3.836 ( 0.402 -0.182 2.239) 2.282 4.244 ( 1.031 0.462 -0.239) 1.155 4.297 ( 0.321 -1.450 -0.468) 1.557 4.623 ( -0.807 1.552 0.916) 1.974 4.675 ( 0.265 -0.673 1.739) 1.883 4.715 ( 1.787 0.145 -0.117) 1.797 4.732 ( 0.893 -0.646 -0.033) 1.103 4.837 ( -1.158 -0.076 3.726) 3.903 4.883 ( -2.786 -3.232 3.516) 5.529 4.919 ( -5.212 -0.740 -3.351) 6.241 4.948 ( -2.902 -0.815 -2.010) 3.623 5.549 ( 0.070 0.524 -0.538) 0.754 5.560 ( 0.059 -0.153 -0.250) 0.299 5.663 ( 2.395 0.172 2.415) 3.406 5.691 ( 0.414 -0.575 -0.965) 1.197 6.768 ( -3.554 3.311 2.607) 5.513 6.926 ( -2.408 -3.052 2.506) 4.625 10.532 ( 2.217 2.416 -1.079) 3.452 10.604 ( 3.118 0.876 -1.040) 3.401 10.661 ( 0.947 -0.396 1.010) 1.440 10.720 ( 1.489 2.214 -1.245) 2.944 10.750 ( -0.177 -2.187 1.730) 2.794 10.807 ( -1.713 -1.266 -2.366) 3.184 10.833 ( 0.117 0.323 -0.248) 0.424 10.872 ( -0.783 -0.728 -1.382) 1.748 13.613 ( -0.629 1.843 -0.197) 1.958 13.708 ( 0.563 -1.939 -0.536) 2.089 ======================= Grid point 49 (27/66) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -5.759 -2.414 4.621) 7.768 0.456 ( -5.759 2.414 4.621) 7.768 0.664 ( -0.738 -4.562 5.417) 7.120 0.664 ( -0.738 4.562 5.417) 7.120 0.906 ( 1.178 -1.141 -0.862) 1.853 0.906 ( 1.178 1.141 -0.862) 1.853 1.008 ( 0.329 -2.264 7.576) 7.914 1.008 ( 0.329 2.264 7.576) 7.914 1.181 ( 2.698 -4.757 1.238) 5.607 1.181 ( 2.698 4.757 1.238) 5.607 1.243 ( 1.185 -8.867 -0.572) 8.964 1.243 ( 1.185 8.867 -0.572) 8.964 1.382 ( -0.516 -2.240 0.061) 2.300 1.382 ( -0.516 2.240 0.061) 2.300 1.591 ( -1.874 -1.360 -4.119) 4.725 1.591 ( -1.874 1.360 -4.119) 4.725 1.805 ( 0.467 -1.706 3.003) 3.485 1.805 ( 0.467 1.706 3.003) 3.485 1.863 ( -2.087 -4.351 -2.159) 5.287 1.863 ( -2.087 4.351 -2.159) 5.287 2.013 ( 0.201 -4.005 -0.574) 4.051 2.013 ( 0.201 4.005 -0.574) 4.051 2.089 ( 0.700 -0.457 1.195) 1.458 2.089 ( 0.700 0.457 1.195) 1.458 2.142 ( 1.702 -5.111 0.329) 5.397 2.142 ( 1.702 5.111 0.329) 5.397 2.256 ( 1.046 -1.553 0.266) 1.891 2.256 ( 1.046 1.553 0.266) 1.891 2.321 ( -3.538 -0.734 -1.705) 3.995 2.321 ( -3.538 0.734 -1.705) 3.995 2.457 ( 0.188 -2.088 0.513) 2.158 2.457 ( 0.188 2.088 0.513) 2.158 2.560 ( 2.251 -1.106 -0.036) 2.508 2.560 ( 2.251 1.106 -0.036) 2.508 2.636 ( -0.904 -1.230 -2.149) 2.636 2.636 ( -0.904 1.230 -2.149) 2.636 2.707 ( 1.458 -0.443 0.398) 1.574 2.707 ( 1.458 0.443 0.398) 1.574 2.748 ( -2.765 -2.002 -0.833) 3.514 2.748 ( -2.765 2.002 -0.833) 3.514 2.868 ( 1.776 -0.431 -2.256) 2.904 2.868 ( 1.776 0.431 -2.256) 2.904 3.012 ( 2.341 -0.529 -3.327) 4.102 3.012 ( 2.341 0.529 -3.327) 4.102 3.054 ( -2.280 -2.896 -0.531) 3.724 3.054 ( -2.280 2.896 -0.531) 3.724 3.127 ( 1.553 -2.854 -5.782) 6.632 3.127 ( 1.553 2.854 -5.782) 6.632 3.305 ( -0.245 -0.956 -0.672) 1.194 3.305 ( -0.245 0.956 -0.672) 1.194 3.435 ( -2.389 -2.386 -1.259) 3.604 3.435 ( -2.389 2.386 -1.259) 3.604 3.528 ( 0.237 -3.132 -1.148) 3.344 3.528 ( 0.237 3.132 -1.148) 3.344 3.665 ( -2.817 -4.311 5.405) 7.466 3.665 ( -2.817 4.311 5.405) 7.466 3.854 ( -0.192 -2.873 2.371) 3.730 3.854 ( -0.192 2.873 2.371) 3.730 4.255 ( -0.794 -1.203 -1.612) 2.163 4.255 ( -0.794 1.203 -1.612) 2.163 4.643 ( -0.774 -1.439 -0.067) 1.635 4.643 ( -0.774 1.439 -0.067) 1.635 4.737 ( -0.996 -0.839 1.231) 1.792 4.737 ( -0.996 0.839 1.231) 1.792 4.835 ( -0.345 -2.153 2.046) 2.990 4.835 ( -0.345 2.153 2.046) 2.990 4.961 ( 5.121 -0.404 3.800) 6.389 4.961 ( 5.121 0.404 3.800) 6.389 5.556 ( 0.248 -0.272 -0.072) 0.375 5.556 ( 0.248 0.272 -0.072) 0.375 5.677 ( -0.200 -0.296 -0.975) 1.039 5.677 ( -0.200 0.296 -0.975) 1.039 6.843 ( -0.808 -5.575 2.929) 6.349 6.843 ( -0.808 5.575 2.929) 6.349 10.603 ( 0.443 -2.996 -1.039) 3.201 10.603 ( 0.443 2.996 -1.039) 3.201 10.685 ( 0.482 -1.907 -0.550) 2.042 10.685 ( 0.482 1.907 -0.550) 2.042 10.793 ( -0.325 -1.387 0.430) 1.489 10.793 ( -0.325 1.387 0.430) 1.489 10.811 ( -0.268 -1.635 -2.243) 2.789 10.811 ( -0.268 1.635 -2.243) 2.789 13.661 ( 0.407 -2.293 -0.123) 2.332 13.661 ( 0.407 2.293 -0.123) 2.332 ======================= Grid point 51 (28/66) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -1.575 -2.764 5.594) 6.436 0.453 ( -1.575 2.764 5.594) 6.436 0.727 ( 3.727 -3.523 3.839) 6.406 0.727 ( 3.727 3.523 3.839) 6.406 0.906 ( 0.064 -2.040 1.639) 2.617 0.906 ( 0.064 2.040 1.639) 2.617 1.079 ( 0.552 -1.076 3.006) 3.240 1.079 ( 0.552 1.076 3.006) 3.240 1.187 ( -0.315 -0.786 -1.446) 1.675 1.187 ( -0.315 0.786 -1.446) 1.675 1.331 ( 3.746 -4.546 2.383) 6.354 1.331 ( 3.746 4.546 2.383) 6.354 1.375 ( -0.807 -3.069 1.336) 3.443 1.375 ( -0.807 3.069 1.336) 3.443 1.555 ( 1.214 -2.206 -0.192) 2.525 1.555 ( 1.214 2.206 -0.192) 2.525 1.781 ( -3.459 -1.433 0.089) 3.746 1.781 ( -3.459 1.433 0.089) 3.746 1.848 ( -0.081 -4.968 0.847) 5.040 1.848 ( -0.081 4.968 0.847) 5.040 2.009 ( 0.936 -4.086 -2.260) 4.762 2.009 ( 0.936 4.086 -2.260) 4.762 2.106 ( 0.000 -0.397 0.367) 0.540 2.106 ( 0.000 0.397 0.367) 0.540 2.155 ( -1.081 -1.959 0.576) 2.310 2.155 ( -1.081 1.959 0.576) 2.310 2.221 ( 0.057 -2.099 -3.612) 4.178 2.221 ( 0.057 2.099 -3.612) 4.178 2.324 ( 0.225 -1.262 3.309) 3.549 2.324 ( 0.225 1.262 3.309) 3.549 2.454 ( -0.851 -1.990 0.821) 2.315 2.454 ( -0.851 1.990 0.821) 2.315 2.565 ( -2.691 -1.504 -3.168) 4.421 2.565 ( -2.691 1.504 -3.168) 4.421 2.589 ( -0.450 -1.988 -0.125) 2.043 2.589 ( -0.450 1.988 -0.125) 2.043 2.676 ( -1.851 -1.291 -1.577) 2.753 2.676 ( -1.851 1.291 -1.577) 2.753 2.760 ( 2.380 -1.843 1.003) 3.172 2.760 ( 2.380 1.843 1.003) 3.172 2.899 ( 3.311 -1.446 -1.777) 4.026 2.899 ( 3.311 1.446 -1.777) 4.026 2.970 ( -1.193 -1.507 -5.358) 5.692 2.970 ( -1.193 1.507 -5.358) 5.692 3.036 ( -0.620 -1.121 0.825) 1.524 3.036 ( -0.620 1.121 0.825) 1.524 3.115 ( 1.940 -2.626 -3.172) 4.552 3.115 ( 1.940 2.626 -3.172) 4.552 3.288 ( -0.773 -1.509 -1.073) 2.006 3.288 ( -0.773 1.509 -1.073) 2.006 3.395 ( -1.727 -1.933 0.633) 2.669 3.395 ( -1.727 1.933 0.633) 2.669 3.516 ( 0.102 -2.092 -1.260) 2.444 3.516 ( 0.102 2.092 -1.260) 2.444 3.674 ( -2.437 -4.530 4.420) 6.782 3.674 ( -2.437 4.530 4.420) 6.782 3.860 ( -1.463 -4.772 2.293) 5.492 3.860 ( -1.463 4.772 2.293) 5.492 4.227 ( -0.273 -1.107 -1.633) 1.992 4.227 ( -0.273 1.107 -1.633) 1.992 4.633 ( -0.674 -0.632 0.154) 0.936 4.633 ( -0.674 0.632 0.154) 0.936 4.729 ( -0.585 -0.770 0.668) 1.176 4.729 ( -0.585 0.770 0.668) 1.176 4.849 ( 0.006 -2.183 1.222) 2.502 4.849 ( 0.006 2.183 1.222) 2.502 5.100 ( 6.297 -1.024 2.532) 6.864 5.100 ( 6.297 1.024 2.532) 6.864 5.561 ( 0.452 -0.213 -0.036) 0.501 5.561 ( 0.452 0.213 -0.036) 0.501 5.655 ( -1.016 -0.443 -1.136) 1.587 5.655 ( -1.016 0.443 -1.136) 1.587 6.867 ( 0.346 -6.549 2.485) 7.013 6.867 ( 0.346 6.549 2.485) 7.013 10.588 ( -0.796 -2.218 -0.419) 2.394 10.588 ( -0.796 2.218 -0.419) 2.394 10.670 ( -3.828 -1.088 -0.359) 3.996 10.670 ( -3.828 1.088 -0.359) 3.996 10.754 ( 2.354 -4.963 -2.122) 5.889 10.754 ( 2.354 4.963 -2.122) 5.889 10.851 ( 2.430 -4.180 0.484) 4.859 10.851 ( 2.430 4.180 0.484) 4.859 13.670 ( 0.742 -0.639 -0.104) 0.985 13.670 ( 0.742 0.639 -0.104) 0.985 ======================= Grid point 53 (29/66) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -1.206 -5.117 3.393) 6.257 0.472 ( -1.206 5.117 3.393) 6.257 0.840 ( 4.072 -3.556 2.371) 5.903 0.840 ( 4.072 3.556 2.371) 5.903 0.974 ( 5.044 -3.599 4.650) 7.747 0.974 ( 5.044 3.599 4.650) 7.747 1.048 ( -3.781 -4.105 -1.458) 5.768 1.048 ( -3.781 4.105 -1.458) 5.768 1.171 ( 0.184 -4.515 -2.355) 5.095 1.171 ( 0.184 4.515 -2.355) 5.095 1.360 ( -0.846 -1.000 0.361) 1.359 1.360 ( -0.846 1.000 0.361) 1.359 1.411 ( 2.707 -2.307 3.283) 4.840 1.411 ( 2.707 2.307 3.283) 4.840 1.566 ( -1.063 -0.566 -1.199) 1.699 1.566 ( -1.063 0.566 -1.199) 1.699 1.747 ( -0.986 -4.245 0.394) 4.375 1.747 ( -0.986 4.245 0.394) 4.375 1.859 ( -0.452 -6.266 1.559) 6.473 1.859 ( -0.452 6.266 1.559) 6.473 1.997 ( -0.557 -2.166 -1.298) 2.586 1.997 ( -0.557 2.166 -1.298) 2.586 2.091 ( -1.444 -1.175 -0.241) 1.877 2.091 ( -1.444 1.175 -0.241) 1.877 2.141 ( -0.417 -2.074 1.316) 2.492 2.141 ( -0.417 2.074 1.316) 2.492 2.219 ( 1.217 -1.456 -0.310) 1.923 2.219 ( 1.217 1.456 -0.310) 1.923 2.345 ( 0.281 -3.833 -0.073) 3.844 2.345 ( 0.281 3.833 -0.073) 3.844 2.435 ( -2.363 -1.816 -0.197) 2.987 2.435 ( -2.363 1.816 -0.197) 2.987 2.509 ( -1.042 -1.348 -1.723) 2.423 2.509 ( -1.042 1.348 -1.723) 2.423 2.561 ( -0.532 -4.783 -1.065) 4.929 2.561 ( -0.532 4.783 -1.065) 4.929 2.672 ( 0.615 -0.826 1.747) 2.028 2.672 ( 0.615 0.826 1.747) 2.028 2.802 ( 2.328 -1.051 -0.914) 2.713 2.802 ( 2.328 1.051 -0.914) 2.713 2.888 ( -1.949 -2.718 -1.448) 3.645 2.888 ( -1.949 2.718 -1.448) 3.645 2.956 ( 2.915 -2.229 -1.093) 3.830 2.956 ( 2.915 2.229 -1.093) 3.830 3.042 ( 0.482 -1.201 0.521) 1.395 3.042 ( 0.482 1.201 0.521) 1.395 3.119 ( 1.563 -4.579 -2.145) 5.292 3.119 ( 1.563 4.579 -2.145) 5.292 3.266 ( -0.594 -3.126 -0.999) 3.335 3.266 ( -0.594 3.126 -0.999) 3.335 3.383 ( -1.287 -2.868 1.446) 3.460 3.383 ( -1.287 2.868 1.446) 3.460 3.502 ( -0.486 -1.892 -1.197) 2.291 3.502 ( -0.486 1.892 -1.197) 2.291 3.670 ( -1.890 -3.399 3.053) 4.945 3.670 ( -1.890 3.399 3.053) 4.945 3.854 ( -1.788 -5.039 1.961) 5.695 3.854 ( -1.788 5.039 1.961) 5.695 4.219 ( 0.632 -0.433 -0.902) 1.184 4.219 ( 0.632 0.433 -0.902) 1.184 4.624 ( -0.633 -0.039 0.432) 0.768 4.624 ( -0.633 0.039 0.432) 0.768 4.729 ( 0.096 -0.819 0.041) 0.826 4.729 ( 0.096 0.819 0.041) 0.826 4.859 ( -0.226 -1.863 1.231) 2.244 4.859 ( -0.226 1.863 1.231) 2.244 5.190 ( 3.755 -0.910 -1.067) 4.009 5.190 ( 3.755 0.910 -1.067) 4.009 5.568 ( 0.447 -0.108 -0.180) 0.494 5.568 ( 0.447 0.108 -0.180) 0.494 5.631 ( -0.764 -0.999 -0.626) 1.405 5.631 ( -0.764 0.999 -0.626) 1.405 6.894 ( 0.160 -6.025 2.243) 6.431 6.894 ( 0.160 6.025 2.243) 6.431 10.567 ( -2.116 -0.391 -0.187) 2.160 10.567 ( -2.116 0.391 -0.187) 2.160 10.606 ( -1.986 -2.462 0.185) 3.169 10.606 ( -1.986 2.462 0.185) 3.169 10.798 ( 3.787 -5.933 -1.555) 7.209 10.798 ( 3.787 5.933 -1.555) 7.209 10.883 ( 1.251 -4.849 -0.192) 5.012 10.883 ( 1.251 4.849 -0.192) 5.012 13.680 ( 0.700 -1.048 -0.333) 1.304 13.680 ( 0.700 1.048 -0.333) 1.304 ======================= Grid point 55 (30/66) ======================= q-point: (-0.57 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.274 -5.490 3.487) 6.510 0.493 ( 0.274 5.490 3.487) 6.510 0.858 ( -1.823 -2.034 -2.220) 3.520 0.858 ( -1.823 2.034 -2.220) 3.520 0.980 ( -1.760 -0.622 -0.269) 1.886 0.980 ( -1.760 0.622 -0.269) 1.886 1.110 ( 3.580 -2.286 0.169) 4.252 1.110 ( 3.580 2.286 0.169) 4.252 1.163 ( 0.778 -5.662 2.054) 6.073 1.163 ( 0.778 5.662 2.054) 6.073 1.332 ( -1.585 -1.847 -0.216) 2.443 1.332 ( -1.585 1.847 -0.216) 2.443 1.456 ( -0.832 -1.441 -0.235) 1.681 1.456 ( -0.832 1.441 -0.235) 1.681 1.558 ( 1.661 -1.513 1.762) 2.855 1.558 ( 1.661 1.513 1.762) 2.855 1.751 ( -0.065 -3.600 0.516) 3.637 1.751 ( -0.065 3.600 0.516) 3.637 1.815 ( -2.911 -4.713 -1.653) 5.780 1.815 ( -2.911 4.713 -1.653) 5.780 1.975 ( -0.854 -2.551 -0.535) 2.743 1.975 ( -0.854 2.551 -0.535) 2.743 2.081 ( -0.144 -0.648 1.323) 1.480 2.081 ( -0.144 0.648 1.323) 1.480 2.159 ( 0.031 -0.979 -0.096) 0.984 2.159 ( 0.031 0.979 -0.096) 0.984 2.242 ( 0.912 -1.390 1.621) 2.322 2.242 ( 0.912 1.390 1.621) 2.322 2.336 ( -0.204 -2.802 -1.172) 3.044 2.336 ( -0.204 2.802 -1.172) 3.044 2.401 ( -0.862 -1.576 -0.875) 1.998 2.401 ( -0.862 1.576 -0.875) 1.998 2.473 ( -0.359 -1.416 -1.684) 2.229 2.473 ( -0.359 1.416 -1.684) 2.229 2.577 ( 0.893 -5.682 1.809) 6.030 2.577 ( 0.893 5.682 1.809) 6.030 2.701 ( 0.329 -0.803 1.891) 2.080 2.701 ( 0.329 0.803 1.891) 2.080 2.814 ( 0.542 -1.255 -1.866) 2.313 2.814 ( 0.542 1.255 -1.866) 2.313 2.861 ( 0.520 -1.871 -1.292) 2.332 2.861 ( 0.520 1.871 -1.292) 2.332 3.000 ( 1.680 -1.836 1.870) 3.113 3.000 ( 1.680 1.836 1.870) 3.113 3.053 ( 0.266 -0.985 0.047) 1.021 3.053 ( 0.266 0.985 0.047) 1.021 3.132 ( 1.732 -4.643 -0.871) 5.032 3.132 ( 1.732 4.643 -0.871) 5.032 3.254 ( 0.491 -1.623 -0.870) 1.906 3.254 ( 0.491 1.623 -0.870) 1.906 3.370 ( -2.342 -2.744 2.190) 4.220 3.370 ( -2.342 2.744 2.190) 4.220 3.487 ( 0.471 -1.118 -1.456) 1.895 3.487 ( 0.471 1.118 -1.456) 1.895 3.675 ( -0.797 -2.548 2.529) 3.677 3.675 ( -0.797 2.548 2.529) 3.677 3.839 ( -1.854 -4.046 1.416) 4.670 3.839 ( -1.854 4.046 1.416) 4.670 4.225 ( 0.768 -0.152 -0.410) 0.884 4.225 ( 0.768 0.152 -0.410) 0.884 4.623 ( -0.251 -0.063 0.858) 0.896 4.623 ( -0.251 0.063 0.858) 0.896 4.732 ( 0.454 -0.408 -0.418) 0.739 4.732 ( 0.454 0.408 -0.418) 0.739 4.859 ( -1.156 -1.104 0.948) 1.858 4.859 ( -1.156 1.104 0.948) 1.858 5.207 ( 1.164 -2.103 -3.574) 4.307 5.207 ( 1.164 2.103 -3.574) 4.307 5.571 ( 0.247 -0.061 -0.385) 0.462 5.571 ( 0.247 0.061 -0.385) 0.462 5.622 ( 0.023 -1.656 0.045) 1.657 5.622 ( 0.023 1.656 0.045) 1.657 6.911 ( -0.785 -5.089 2.351) 5.660 6.911 ( -0.785 5.089 2.351) 5.660 10.529 ( -1.477 -0.931 -0.128) 1.751 10.529 ( -1.477 0.931 -0.128) 1.751 10.606 ( 0.386 -2.483 1.144) 2.761 10.606 ( 0.386 2.483 1.144) 2.761 10.833 ( 2.166 -5.014 -1.710) 5.723 10.833 ( 2.166 5.014 -1.710) 5.723 10.886 ( -0.084 -4.176 -1.244) 4.358 10.886 ( -0.084 4.176 -1.244) 4.358 13.684 ( 0.313 -1.501 -0.635) 1.659 13.684 ( 0.313 1.501 -0.635) 1.659 ======================= Grid point 57 (31/66) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 2.563 -3.710 3.896) 5.959 0.552 ( 2.563 3.710 3.896) 5.959 0.794 ( -2.593 -4.762 -1.560) 5.642 0.794 ( -2.593 4.762 -1.560) 5.642 0.901 ( -7.011 -3.455 -3.012) 8.377 0.901 ( -7.011 3.455 -3.012) 8.377 1.120 ( -1.037 -1.129 -2.953) 3.327 1.120 ( -1.037 1.129 -2.953) 3.327 1.171 ( -0.748 -1.265 1.597) 2.170 1.171 ( -0.748 1.265 1.597) 2.170 1.344 ( 0.184 -3.796 2.657) 4.637 1.344 ( 0.184 3.796 2.657) 4.637 1.437 ( -1.581 -1.166 1.191) 2.297 1.437 ( -1.581 1.166 1.191) 2.297 1.588 ( 0.276 -0.441 -0.948) 1.081 1.588 ( 0.276 0.441 -0.948) 1.081 1.700 ( -1.011 -4.675 -0.746) 4.840 1.700 ( -1.011 4.675 -0.746) 4.840 1.849 ( 2.416 -2.309 3.939) 5.165 1.849 ( 2.416 2.309 3.939) 5.165 1.971 ( 1.217 -3.763 -0.881) 4.052 1.971 ( 1.217 3.763 -0.881) 4.052 2.093 ( -0.809 -1.638 1.644) 2.457 2.093 ( -0.809 1.638 1.644) 2.457 2.131 ( -0.108 -0.399 -3.096) 3.124 2.131 ( -0.108 0.399 -3.096) 3.124 2.246 ( -0.772 -1.910 -2.532) 3.264 2.246 ( -0.772 1.910 -2.532) 3.264 2.332 ( -0.304 -1.673 1.017) 1.981 2.332 ( -0.304 1.673 1.017) 1.981 2.391 ( 1.564 -0.856 -1.011) 2.049 2.391 ( 1.564 0.856 -1.011) 2.049 2.498 ( 2.570 -3.903 2.029) 5.095 2.498 ( 2.570 3.903 2.029) 5.095 2.598 ( -0.689 -3.878 1.572) 4.240 2.598 ( -0.689 3.878 1.572) 4.240 2.715 ( -0.388 -2.253 1.115) 2.544 2.715 ( -0.388 2.253 1.115) 2.544 2.787 ( -0.717 -1.213 -2.109) 2.537 2.787 ( -0.717 1.213 -2.109) 2.537 2.875 ( 1.647 -1.756 -0.814) 2.541 2.875 ( 1.647 1.756 -0.814) 2.541 3.035 ( -0.216 -1.379 1.503) 2.051 3.035 ( -0.216 1.379 1.503) 2.051 3.053 ( 0.361 -1.328 0.645) 1.520 3.053 ( 0.361 1.328 0.645) 1.520 3.155 ( 2.135 -4.311 -1.298) 4.982 3.155 ( 2.135 4.311 -1.298) 4.982 3.269 ( 1.576 -1.639 0.014) 2.274 3.269 ( 1.576 1.639 0.014) 2.274 3.361 ( -0.891 -1.804 2.491) 3.203 3.361 ( -0.891 1.804 2.491) 3.203 3.491 ( 1.360 -0.516 -1.305) 1.954 3.491 ( 1.360 0.516 -1.305) 1.954 3.685 ( -1.032 -3.207 2.713) 4.326 3.685 ( -1.032 3.207 2.713) 4.326 3.823 ( -1.395 -2.294 1.059) 2.886 3.823 ( -1.395 2.294 1.059) 2.886 4.236 ( 0.881 -0.401 -0.141) 0.978 4.236 ( 0.881 0.401 -0.141) 0.978 4.630 ( -0.076 -0.161 1.114) 1.128 4.630 ( -0.076 0.161 1.114) 1.128 4.733 ( 0.350 -0.189 -1.020) 1.095 4.733 ( 0.350 0.189 -1.020) 1.095 4.844 ( -1.534 -0.823 1.300) 2.173 4.844 ( -1.534 0.823 1.300) 2.173 5.161 ( -2.004 -1.380 -5.031) 5.588 5.161 ( -2.004 1.380 -5.031) 5.588 5.568 ( -0.049 -0.185 -0.514) 0.548 5.568 ( -0.049 0.185 -0.514) 0.548 5.632 ( 0.867 -2.227 0.476) 2.437 5.632 ( 0.867 2.227 0.476) 2.437 6.909 ( -2.234 -4.565 2.318) 5.585 6.909 ( -2.234 4.565 2.318) 5.585 10.523 ( 0.896 -1.582 -0.275) 1.839 10.523 ( 0.896 1.582 -0.275) 1.839 10.632 ( 1.044 -2.312 1.789) 3.104 10.632 ( 1.044 2.312 1.789) 3.104 10.837 ( 0.088 -5.510 -1.532) 5.720 10.837 ( 0.088 5.510 -1.532) 5.720 10.861 ( -0.727 -5.328 -1.906) 5.705 10.861 ( -0.727 5.328 -1.906) 5.705 13.679 ( -0.127 -0.369 -0.781) 0.873 13.679 ( -0.127 0.369 -0.781) 0.873 ======================= Grid point 59 (32/66) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -1.082 -2.795 1.870) 3.533 0.610 ( -1.082 2.795 1.870) 3.533 0.739 ( -6.852 -3.970 -2.673) 8.358 0.739 ( -6.852 3.970 -2.673) 8.358 0.774 ( -1.023 -3.660 4.467) 5.865 0.774 ( -1.023 3.660 4.467) 5.865 1.014 ( -4.365 -2.067 -3.887) 6.199 1.014 ( -4.365 2.067 -3.887) 6.199 1.219 ( 2.295 -2.051 0.983) 3.231 1.219 ( 2.295 2.051 0.983) 3.231 1.314 ( -6.025 -6.517 0.118) 8.876 1.314 ( -6.025 6.517 0.118) 8.876 1.407 ( -1.804 -4.191 0.732) 4.621 1.407 ( -1.804 4.191 0.732) 4.621 1.601 ( 1.930 -1.614 0.643) 2.597 1.601 ( 1.930 1.614 0.643) 2.597 1.737 ( 3.094 -1.383 0.914) 3.510 1.737 ( 3.094 1.383 0.914) 3.510 1.906 ( 0.279 -3.456 3.156) 4.688 1.906 ( 0.279 3.456 3.156) 4.688 1.974 ( 0.748 -3.497 -1.925) 4.061 1.974 ( 0.748 3.497 -1.925) 4.061 2.077 ( -1.275 -3.501 -0.536) 3.764 2.077 ( -1.275 3.501 -0.536) 3.764 2.142 ( 2.175 -2.128 1.017) 3.208 2.142 ( 2.175 2.128 1.017) 3.208 2.195 ( -0.853 -3.652 -3.701) 5.269 2.195 ( -0.853 3.652 -3.701) 5.269 2.351 ( 2.398 -0.617 -0.025) 2.476 2.351 ( 2.398 0.617 -0.025) 2.476 2.427 ( 1.657 -1.927 1.301) 2.855 2.427 ( 1.657 1.927 1.301) 2.855 2.545 ( 0.054 -2.875 0.904) 3.015 2.545 ( 0.054 2.875 0.904) 3.015 2.593 ( 0.225 -2.793 0.349) 2.824 2.593 ( 0.225 2.793 0.349) 2.824 2.702 ( -0.743 -3.280 -1.139) 3.551 2.702 ( -0.743 3.280 -1.139) 3.551 2.780 ( 0.466 -2.638 0.472) 2.721 2.780 ( 0.466 2.638 0.472) 2.721 2.891 ( 1.321 -1.146 -1.177) 2.108 2.891 ( 1.321 1.146 -1.177) 2.108 3.017 ( -1.614 -1.665 -0.358) 2.346 3.017 ( -1.614 1.665 -0.358) 2.346 3.083 ( 1.663 -2.961 0.355) 3.414 3.083 ( 1.663 2.961 0.355) 3.414 3.166 ( 1.518 -2.097 -3.070) 4.016 3.166 ( 1.518 2.097 -3.070) 4.016 3.297 ( 1.010 -3.402 0.830) 3.644 3.297 ( 1.010 3.402 0.830) 3.644 3.397 ( 1.937 -1.562 3.490) 4.287 3.397 ( 1.937 1.562 3.490) 4.287 3.500 ( 1.188 -0.597 -1.517) 2.017 3.500 ( 1.188 0.597 -1.517) 2.017 3.692 ( -1.673 -4.375 3.532) 5.867 3.692 ( -1.673 4.375 3.532) 5.867 3.814 ( -0.747 -1.714 0.863) 2.059 3.814 ( -0.747 1.714 0.863) 2.059 4.250 ( 0.944 -1.391 -0.076) 1.683 4.250 ( 0.944 1.391 -0.076) 1.683 4.640 ( -0.035 -0.673 1.414) 1.567 4.640 ( -0.035 0.673 1.414) 1.567 4.724 ( 0.047 -0.551 -1.497) 1.596 4.724 ( 0.047 0.551 -1.497) 1.596 4.840 ( -1.235 -1.510 2.561) 3.219 4.840 ( -1.235 1.510 2.561) 3.219 5.051 ( -5.235 -0.430 -5.228) 7.411 5.051 ( -5.235 0.430 -5.228) 7.411 5.561 ( -0.189 -0.251 -0.470) 0.566 5.561 ( -0.189 0.251 -0.470) 0.566 5.655 ( 1.287 -2.014 0.358) 2.417 5.655 ( 1.287 2.014 0.358) 2.417 6.882 ( -3.438 -4.369 2.199) 5.979 6.882 ( -3.438 4.369 2.199) 5.979 10.548 ( 2.587 -2.011 -0.871) 3.390 10.548 ( 2.587 2.011 -0.871) 3.390 10.669 ( 1.175 -2.724 1.896) 3.521 10.669 ( 1.175 2.724 1.896) 3.521 10.801 ( -1.599 -4.208 -2.323) 5.065 10.801 ( -1.599 4.208 -2.323) 5.065 10.849 ( 0.365 -3.748 -0.298) 3.778 10.849 ( 0.365 3.748 -0.298) 3.778 13.668 ( -0.283 -1.493 -0.658) 1.656 13.668 ( -0.283 1.493 -0.658) 1.656 ======================= Grid point 61 (33/66) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -7.247 -5.082 1.802) 9.033 0.543 ( -7.247 5.082 1.802) 9.033 0.651 ( -3.529 -5.079 3.306) 7.013 0.651 ( -3.529 5.079 3.306) 7.013 0.849 ( 2.595 -3.117 4.701) 6.209 0.849 ( 2.595 3.117 4.701) 6.209 0.961 ( -0.459 -2.711 1.795) 3.284 0.961 ( -0.459 2.711 1.795) 3.284 1.188 ( -3.667 -6.512 -2.076) 7.756 1.188 ( -3.667 6.512 -2.076) 7.756 1.258 ( -0.120 -5.352 -1.078) 5.461 1.258 ( -0.120 5.352 -1.078) 5.461 1.389 ( -0.718 -2.757 0.017) 2.850 1.389 ( -0.718 2.757 0.017) 2.850 1.637 ( 0.787 -1.760 -0.876) 2.117 1.637 ( 0.787 1.760 -0.876) 2.117 1.766 ( 0.413 -1.235 1.393) 1.907 1.766 ( 0.413 1.235 1.393) 1.907 1.910 ( -1.151 -4.218 -1.206) 4.535 1.910 ( -1.151 4.218 -1.206) 4.535 2.003 ( 2.214 -3.305 0.935) 4.086 2.003 ( 2.214 3.305 0.935) 4.086 2.057 ( 0.135 -0.758 0.608) 0.981 2.057 ( 0.135 0.758 0.608) 0.981 2.142 ( -1.210 -5.267 -1.119) 5.519 2.142 ( -1.210 5.267 -1.119) 5.519 2.210 ( 2.631 -0.548 1.482) 3.068 2.210 ( 2.631 0.548 1.482) 3.068 2.388 ( 0.233 -3.496 -0.879) 3.612 2.388 ( 0.233 3.496 -0.879) 3.612 2.440 ( 0.314 -0.862 -0.316) 0.971 2.440 ( 0.314 0.862 -0.316) 0.971 2.538 ( 0.222 -0.971 -0.302) 1.041 2.538 ( 0.222 0.971 -0.302) 1.041 2.624 ( 3.076 -3.651 -0.622) 4.814 2.624 ( 3.076 3.651 -0.622) 4.814 2.689 ( 0.329 -2.278 -0.618) 2.384 2.689 ( 0.329 2.278 -0.618) 2.384 2.784 ( -0.943 -4.532 0.413) 4.647 2.784 ( -0.943 4.532 0.413) 4.647 2.885 ( -0.548 -1.436 -1.726) 2.312 2.885 ( -0.548 1.436 -1.726) 2.312 2.998 ( 0.505 -1.272 -0.693) 1.535 2.998 ( 0.505 1.272 -0.693) 1.535 3.093 ( -0.285 -3.853 -1.644) 4.199 3.093 ( -0.285 3.853 -1.644) 4.199 3.153 ( 1.845 -2.139 -5.286) 5.994 3.153 ( 1.845 2.139 -5.286) 5.994 3.309 ( 0.118 -2.485 -0.022) 2.488 3.309 ( 0.118 2.485 -0.022) 2.488 3.462 ( 1.624 -1.594 -0.234) 2.287 3.462 ( 1.624 1.594 -0.234) 2.287 3.507 ( 1.264 -3.378 0.654) 3.666 3.507 ( 1.264 3.378 0.654) 3.666 3.686 ( -3.869 -4.641 3.937) 7.212 3.686 ( -3.869 4.641 3.937) 7.212 3.824 ( 0.772 -1.225 1.813) 2.321 3.824 ( 0.772 1.225 1.813) 2.321 4.264 ( 0.805 -1.536 -0.437) 1.788 4.264 ( 0.805 1.536 -0.437) 1.788 4.654 ( -0.357 -1.414 1.103) 1.828 4.654 ( -0.357 1.414 1.103) 1.828 4.720 ( 0.946 -0.449 0.196) 1.065 4.720 ( 0.946 0.449 0.196) 1.065 4.841 ( -2.713 -0.784 3.615) 4.587 4.841 ( -2.713 0.784 3.615) 4.587 4.929 ( -2.875 -0.927 -2.469) 3.901 4.929 ( -2.875 0.927 -2.469) 3.901 5.556 ( -0.054 -0.280 -0.279) 0.399 5.556 ( -0.054 0.280 -0.279) 0.399 5.676 ( 0.995 -0.840 -0.236) 1.323 5.676 ( 0.995 0.840 -0.236) 1.323 6.848 ( -2.974 -4.414 2.583) 5.916 6.848 ( -2.974 4.414 2.583) 5.916 10.584 ( 2.831 -2.452 -1.429) 4.009 10.584 ( 2.831 2.452 -1.429) 4.009 10.693 ( -0.652 -2.938 1.215) 3.245 10.693 ( -0.652 2.938 1.215) 3.245 10.768 ( 0.873 -2.297 -1.770) 3.029 10.768 ( 0.873 2.297 -1.770) 3.029 10.851 ( -0.500 -1.113 -0.454) 1.302 10.851 ( -0.500 1.113 -0.454) 1.302 13.660 ( -0.045 -2.679 -0.367) 2.704 13.660 ( -0.045 2.679 -0.367) 2.704 ======================= Grid point 70 (34/66) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.845 0.000 7.409) 7.457 0.613 ( 0.975 0.000 7.511) 7.574 0.692 ( -6.183 0.000 5.807) 8.483 0.861 ( 3.568 0.000 -0.341) 3.585 0.880 ( -1.110 0.000 3.779) 3.938 0.899 ( -1.398 0.000 2.511) 2.874 1.068 ( -2.083 0.000 0.128) 2.087 1.081 ( 5.796 0.000 -2.390) 6.269 1.237 ( -2.609 0.000 1.586) 3.053 1.275 ( 3.014 0.000 20.256) 20.479 1.301 ( 2.902 0.000 0.962) 3.058 1.314 ( 0.352 0.000 -2.214) 2.242 1.382 ( 3.802 0.000 5.125) 6.381 1.408 ( -1.613 0.000 -4.225) 4.523 1.479 ( -0.183 0.000 -3.547) 3.552 1.570 ( -2.780 0.000 -5.010) 5.730 1.777 ( -2.011 0.000 -0.692) 2.127 1.854 ( 2.706 0.000 -5.388) 6.029 1.905 ( 0.202 0.000 2.570) 2.578 1.944 ( -5.174 0.000 2.134) 5.597 1.976 ( -1.813 0.000 -0.003) 1.813 2.020 ( 0.163 0.000 3.294) 3.298 2.044 ( 0.756 0.000 -0.105) 0.763 2.078 ( -0.013 0.000 -0.114) 0.115 2.118 ( 2.589 0.000 -2.137) 3.357 2.187 ( -5.375 0.000 -0.385) 5.389 2.191 ( -1.242 0.000 -0.549) 1.358 2.242 ( -0.631 0.000 2.505) 2.583 2.289 ( 3.036 0.000 -2.051) 3.664 2.365 ( -2.456 0.000 3.119) 3.970 2.369 ( 0.130 0.000 0.689) 0.701 2.464 ( 0.801 0.000 -2.322) 2.456 2.472 ( 1.269 0.000 0.120) 1.275 2.520 ( 0.671 0.000 -1.592) 1.727 2.532 ( 2.809 0.000 1.821) 3.348 2.592 ( -4.834 0.000 0.249) 4.841 2.667 ( -0.750 0.000 -2.201) 2.326 2.715 ( 2.624 0.000 -2.964) 3.958 2.798 ( 0.097 0.000 -0.551) 0.559 2.838 ( -2.363 0.000 -2.099) 3.161 2.862 ( 1.327 0.000 0.843) 1.573 2.907 ( -0.841 0.000 -1.824) 2.008 2.911 ( 3.002 0.000 0.895) 3.133 2.958 ( 1.212 0.000 0.164) 1.223 3.014 ( 0.609 0.000 0.569) 0.834 3.084 ( -1.791 0.000 1.944) 2.643 3.109 ( -0.380 0.000 -3.315) 3.337 3.144 ( 0.136 0.000 -2.362) 2.366 3.188 ( 2.533 0.000 -1.237) 2.819 3.230 ( -1.025 0.000 -1.126) 1.523 3.346 ( -2.296 0.000 0.244) 2.309 3.391 ( 0.802 0.000 -2.483) 2.609 3.531 ( 0.067 0.000 0.650) 0.654 3.552 ( 0.305 0.000 1.455) 1.487 3.620 ( -1.172 0.000 -0.799) 1.419 3.654 ( -4.983 0.000 -0.026) 4.983 3.940 ( -2.842 0.000 5.154) 5.885 3.991 ( 3.050 0.000 2.346) 3.848 4.214 ( -1.620 0.000 -0.862) 1.835 4.244 ( -0.397 0.000 -2.443) 2.475 4.637 ( 0.296 0.000 1.344) 1.376 4.679 ( 0.145 0.000 -1.147) 1.156 4.725 ( -3.579 0.000 1.217) 3.780 4.754 ( 1.502 0.000 -0.141) 1.508 4.828 ( -2.520 0.000 1.124) 2.759 4.866 ( 1.702 0.000 -0.976) 1.961 5.035 ( 4.862 0.000 3.183) 5.811 5.130 ( 3.657 0.000 -0.191) 3.662 5.555 ( 0.321 0.000 0.388) 0.503 5.563 ( 0.177 0.000 -0.092) 0.200 5.646 ( 0.393 0.000 -1.306) 1.363 5.685 ( -1.534 0.000 -2.953) 3.327 6.796 ( -1.978 0.000 5.658) 5.994 7.030 ( 1.873 0.000 -2.758) 3.334 10.532 ( 0.254 0.000 0.995) 1.027 10.578 ( -1.710 0.000 -0.706) 1.850 10.657 ( 1.313 0.000 -1.044) 1.677 10.665 ( -1.813 0.000 -1.093) 2.117 10.735 ( -0.353 0.000 -0.491) 0.604 10.755 ( -3.844 0.000 -1.037) 3.982 10.802 ( 0.421 0.000 1.904) 1.950 10.855 ( 5.019 0.000 -0.547) 5.048 13.635 ( 1.863 0.000 1.249) 2.243 13.683 ( -1.006 0.000 -1.562) 1.858 ======================= Grid point 71 (35/66) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -9.274 0.000 5.004) 10.537 0.657 ( 0.373 0.000 0.336) 0.502 0.791 ( 6.317 0.000 0.992) 6.394 0.851 ( -3.302 0.000 4.143) 5.298 0.926 ( 0.637 0.000 7.226) 7.254 0.976 ( 2.449 0.000 -2.662) 3.617 1.040 ( 4.002 0.000 1.743) 4.365 1.153 ( 4.159 0.000 -2.419) 4.811 1.200 ( -2.928 0.000 1.520) 3.299 1.294 ( -1.158 0.000 0.752) 1.381 1.334 ( -2.816 0.000 -3.693) 4.645 1.362 ( 2.821 0.000 0.038) 2.822 1.439 ( -2.500 0.000 0.231) 2.511 1.453 ( 3.301 0.000 -1.144) 3.494 1.519 ( 2.476 0.000 2.328) 3.399 1.541 ( 2.786 0.000 6.879) 7.422 1.712 ( -4.209 0.000 -0.392) 4.228 1.777 ( -5.221 0.000 -2.438) 5.762 1.891 ( 0.168 0.000 1.364) 1.374 1.914 ( -3.785 0.000 -2.228) 4.392 1.977 ( 0.704 0.000 3.738) 3.803 2.010 ( -0.261 0.000 -2.672) 2.685 2.031 ( -0.858 0.000 1.076) 1.376 2.097 ( 0.297 0.000 0.623) 0.691 2.119 ( -2.494 0.000 0.041) 2.494 2.174 ( -0.673 0.000 1.175) 1.354 2.190 ( 5.219 0.000 2.104) 5.627 2.274 ( -0.346 0.000 4.853) 4.866 2.327 ( 3.686 0.000 -3.385) 5.005 2.343 ( -1.115 0.000 -2.800) 3.014 2.371 ( -0.829 0.000 3.014) 3.126 2.435 ( -4.001 0.000 -0.888) 4.099 2.479 ( -1.169 0.000 0.991) 1.533 2.482 ( -0.449 0.000 -3.040) 3.073 2.538 ( -1.987 0.000 0.094) 1.989 2.603 ( -1.094 0.000 -1.295) 1.695 2.631 ( 3.737 0.000 1.456) 4.011 2.734 ( 1.576 0.000 -1.269) 2.023 2.791 ( -1.187 0.000 -2.475) 2.745 2.813 ( 1.895 0.000 0.633) 1.998 2.868 ( -1.261 0.000 -2.313) 2.634 2.883 ( 0.581 0.000 0.626) 0.854 2.943 ( -0.843 0.000 -3.582) 3.680 2.975 ( 2.963 0.000 1.138) 3.174 3.051 ( 2.208 0.000 2.030) 2.999 3.064 ( -2.299 0.000 0.288) 2.317 3.092 ( 0.357 0.000 1.560) 1.601 3.133 ( 1.298 0.000 -2.317) 2.656 3.203 ( -0.305 0.000 -1.017) 1.061 3.226 ( 3.214 0.000 -2.020) 3.796 3.338 ( -0.079 0.000 0.811) 0.815 3.388 ( 1.152 0.000 -1.395) 1.809 3.540 ( -0.248 0.000 1.649) 1.667 3.569 ( 0.804 0.000 -0.199) 0.829 3.592 ( -3.251 0.000 1.770) 3.701 3.601 ( -1.623 0.000 1.208) 2.023 3.899 ( -6.201 0.000 3.134) 6.948 4.026 ( -1.235 0.000 1.224) 1.739 4.205 ( 1.372 0.000 0.386) 1.426 4.236 ( 0.826 0.000 -0.972) 1.275 4.652 ( -0.212 0.000 0.824) 0.851 4.671 ( 0.455 0.000 -1.208) 1.291 4.683 ( -2.651 0.000 1.295) 2.950 4.775 ( -0.675 0.000 1.196) 1.373 4.812 ( 0.946 0.000 0.494) 1.067 4.884 ( 1.269 0.000 -0.099) 1.273 5.135 ( 4.678 0.000 0.101) 4.679 5.140 ( 0.319 0.000 -4.551) 4.562 5.561 ( 0.150 0.000 0.056) 0.160 5.563 ( 0.072 0.000 -0.302) 0.310 5.631 ( -1.946 0.000 -1.300) 2.340 5.646 ( 0.483 0.000 -0.075) 0.489 6.839 ( -0.313 0.000 6.976) 6.983 7.022 ( 1.610 0.000 -4.609) 4.882 10.541 ( -0.168 0.000 0.774) 0.792 10.546 ( -1.593 0.000 0.618) 1.709 10.626 ( -2.496 0.000 -0.424) 2.532 10.661 ( -0.442 0.000 0.345) 0.561 10.682 ( -3.058 0.000 -0.040) 3.059 10.708 ( -1.856 0.000 0.049) 1.857 10.879 ( 6.020 0.000 -0.200) 6.023 10.929 ( 5.117 0.000 -2.256) 5.592 13.651 ( -0.955 0.000 -1.348) 1.651 13.679 ( 2.087 0.000 0.520) 2.151 ======================= Grid point 72 (36/66) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -3.478 0.000 5.096) 6.170 0.650 ( 1.228 0.000 -3.417) 3.631 0.844 ( -0.298 0.000 0.335) 0.449 0.873 ( 4.357 0.000 -0.111) 4.358 0.950 ( -0.015 0.000 -2.194) 2.194 1.043 ( 4.118 0.000 4.903) 6.403 1.139 ( -0.079 0.000 4.850) 4.850 1.148 ( -0.220 0.000 -1.761) 1.775 1.201 ( 1.355 0.000 -2.095) 2.495 1.274 ( 0.654 0.000 -0.121) 0.665 1.293 ( -1.262 0.000 0.492) 1.354 1.358 ( -1.152 0.000 -3.288) 3.484 1.377 ( -1.594 0.000 -1.478) 2.174 1.524 ( 0.229 0.000 -3.673) 3.680 1.525 ( 3.180 0.000 -0.917) 3.309 1.605 ( 1.882 0.000 5.756) 6.056 1.639 ( -3.644 0.000 -2.171) 4.242 1.707 ( -3.478 0.000 1.765) 3.900 1.857 ( -5.586 0.000 -0.570) 5.615 1.860 ( -1.702 0.000 0.264) 1.722 2.005 ( -0.951 0.000 1.368) 1.667 2.020 ( 0.707 0.000 0.505) 0.869 2.052 ( 1.418 0.000 3.304) 3.596 2.073 ( -2.319 0.000 0.333) 2.343 2.131 ( 3.326 0.000 2.670) 4.265 2.161 ( -2.458 0.000 1.222) 2.745 2.279 ( -2.580 0.000 -5.480) 6.057 2.298 ( -1.365 0.000 3.473) 3.732 2.322 ( -0.369 0.000 -5.638) 5.650 2.326 ( 3.924 0.000 4.990) 6.348 2.367 ( -1.443 0.000 0.556) 1.547 2.378 ( 0.181 0.000 1.226) 1.240 2.462 ( -0.238 0.000 -0.624) 0.668 2.468 ( -0.645 0.000 1.474) 1.609 2.535 ( 1.504 0.000 0.563) 1.606 2.570 ( -0.348 0.000 -0.805) 0.877 2.721 ( -2.344 0.000 0.729) 2.455 2.726 ( 4.320 0.000 0.887) 4.410 2.757 ( 1.697 0.000 -5.497) 5.753 2.842 ( 0.323 0.000 -1.121) 1.167 2.847 ( 0.489 0.000 0.214) 0.533 2.902 ( -0.502 0.000 -2.144) 2.202 2.915 ( 2.662 0.000 2.219) 3.466 2.998 ( -1.489 0.000 -0.967) 1.775 3.027 ( -1.028 0.000 -0.334) 1.081 3.074 ( -0.687 0.000 1.610) 1.751 3.145 ( 2.774 0.000 -1.910) 3.368 3.166 ( 3.931 0.000 3.050) 4.976 3.207 ( 1.490 0.000 -0.529) 1.581 3.245 ( 1.266 0.000 -1.825) 2.221 3.342 ( -0.800 0.000 1.071) 1.337 3.404 ( 1.708 0.000 -0.593) 1.808 3.548 ( -1.769 0.000 2.839) 3.345 3.576 ( -0.072 0.000 0.287) 0.296 3.577 ( -1.016 0.000 1.757) 2.030 3.584 ( -0.773 0.000 0.250) 0.812 3.826 ( -5.189 0.000 3.180) 6.086 3.990 ( -3.114 0.000 -0.089) 3.116 4.237 ( 0.229 0.000 -0.549) 0.595 4.242 ( 1.320 0.000 1.026) 1.672 4.648 ( -0.663 0.000 0.897) 1.115 4.662 ( -1.605 0.000 1.036) 1.910 4.677 ( 1.407 0.000 -0.894) 1.667 4.754 ( -1.932 0.000 0.371) 1.967 4.866 ( 3.082 0.000 1.851) 3.595 4.904 ( 0.890 0.000 0.286) 0.935 5.073 ( -1.218 0.000 -6.610) 6.722 5.179 ( 2.573 0.000 -3.421) 4.280 5.560 ( -0.185 0.000 -0.323) 0.372 5.560 ( 0.022 0.000 -0.528) 0.529 5.604 ( -0.874 0.000 0.325) 0.932 5.659 ( 0.606 0.000 0.790) 0.995 6.900 ( -0.729 0.000 7.037) 7.075 7.010 ( 1.876 0.000 -3.745) 4.189 10.528 ( -2.028 0.000 -0.805) 2.182 10.535 ( -0.271 0.000 0.008) 0.272 10.584 ( -1.634 0.000 1.234) 2.048 10.645 ( -2.298 0.000 0.884) 2.462 10.675 ( 0.503 0.000 1.718) 1.790 10.692 ( 0.022 0.000 0.461) 0.462 10.959 ( 4.465 0.000 -2.237) 4.994 10.971 ( 3.160 0.000 -3.659) 4.835 13.634 ( 0.168 0.000 -0.720) 0.739 13.703 ( 0.790 0.000 -0.655) 1.026 ======================= Grid point 73 (37/66) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 0.561 0.000 3.661) 3.703 0.650 ( 2.452 0.000 -2.667) 3.622 0.854 ( 1.646 0.000 -3.594) 3.953 0.898 ( -2.312 0.000 -0.239) 2.324 0.907 ( -3.200 0.000 -0.168) 3.204 1.105 ( 0.663 0.000 1.854) 1.969 1.167 ( -1.250 0.000 3.198) 3.434 1.176 ( 0.748 0.000 0.414) 0.855 1.189 ( 1.517 0.000 -0.320) 1.550 1.248 ( -1.739 0.000 -0.539) 1.821 1.266 ( -1.518 0.000 -0.692) 1.668 1.315 ( 1.198 0.000 -3.172) 3.390 1.422 ( 0.955 0.000 3.785) 3.903 1.477 ( -0.211 0.000 -8.319) 8.322 1.513 ( 2.827 0.000 -1.552) 3.225 1.592 ( -1.343 0.000 0.666) 1.499 1.696 ( -4.783 0.000 5.509) 7.296 1.728 ( -2.713 0.000 -3.152) 4.158 1.758 ( 4.458 0.000 9.472) 10.469 1.835 ( -1.775 0.000 0.127) 1.779 1.999 ( -0.849 0.000 0.308) 0.903 2.020 ( 0.371 0.000 0.322) 0.491 2.059 ( 0.808 0.000 -0.349) 0.880 2.086 ( -2.356 0.000 1.788) 2.958 2.140 ( 0.856 0.000 2.083) 2.252 2.158 ( -3.849 0.000 -7.211) 8.174 2.244 ( 0.833 0.000 2.846) 2.965 2.270 ( 1.373 0.000 -0.311) 1.408 2.285 ( -2.331 0.000 0.351) 2.357 2.304 ( -3.687 0.000 -0.736) 3.760 2.339 ( -1.832 0.000 -1.070) 2.121 2.459 ( 0.301 0.000 1.519) 1.548 2.477 ( 1.279 0.000 1.957) 2.338 2.495 ( 2.802 0.000 3.172) 4.232 2.566 ( 0.509 0.000 -0.758) 0.913 2.596 ( 4.251 0.000 1.863) 4.641 2.709 ( 0.720 0.000 -0.374) 0.812 2.747 ( 2.830 0.000 -3.404) 4.427 2.761 ( -0.329 0.000 -0.622) 0.704 2.842 ( 0.234 0.000 -0.565) 0.611 2.847 ( 0.102 0.000 -0.276) 0.294 2.890 ( 1.096 0.000 -1.296) 1.697 2.928 ( -3.364 0.000 -1.026) 3.517 2.996 ( -0.205 0.000 -2.304) 2.313 3.015 ( 3.461 0.000 1.314) 3.702 3.070 ( -1.462 0.000 1.156) 1.864 3.184 ( 2.677 0.000 -0.068) 2.678 3.226 ( 0.651 0.000 -0.465) 0.800 3.235 ( -0.333 0.000 -1.679) 1.711 3.239 ( 2.174 0.000 1.334) 2.551 3.335 ( -1.122 0.000 1.765) 2.091 3.418 ( 0.320 0.000 -0.838) 0.897 3.531 ( -2.021 0.000 1.462) 2.494 3.567 ( -2.227 0.000 3.858) 4.455 3.583 ( -0.882 0.000 2.936) 3.066 3.601 ( 3.810 0.000 -3.330) 5.060 3.811 ( -1.131 0.000 4.219) 4.368 3.932 ( -3.432 0.000 -0.578) 3.480 4.243 ( 1.295 0.000 -0.445) 1.370 4.255 ( -0.499 0.000 0.321) 0.593 4.647 ( -0.619 0.000 0.573) 0.843 4.653 ( -0.614 0.000 1.550) 1.667 4.692 ( 1.134 0.000 -0.892) 1.443 4.727 ( -1.099 0.000 -0.521) 1.216 4.913 ( -0.898 0.000 2.255) 2.427 4.914 ( 0.057 0.000 0.085) 0.103 5.016 ( 2.381 0.000 -5.473) 5.969 5.158 ( -0.206 0.000 -5.111) 5.115 5.550 ( -0.434 0.000 -0.499) 0.661 5.554 ( 0.017 0.000 -0.697) 0.697 5.605 ( -0.194 0.000 1.578) 1.590 5.676 ( 0.612 0.000 0.474) 0.774 6.933 ( -2.861 0.000 5.865) 6.525 7.015 ( 1.727 0.000 -1.766) 2.470 10.484 ( -1.914 0.000 -0.190) 1.923 10.531 ( 0.457 0.000 -1.204) 1.288 10.590 ( 0.633 0.000 0.858) 1.066 10.613 ( -1.619 0.000 -0.129) 1.624 10.716 ( 1.441 0.000 3.079) 3.399 10.717 ( 1.000 0.000 2.870) 3.039 10.964 ( 0.867 0.000 -4.604) 4.684 10.974 ( 0.854 0.000 -3.955) 4.046 13.644 ( 1.534 0.000 -0.159) 1.543 13.691 ( -1.070 0.000 -1.404) 1.765 ======================= Grid point 74 (38/66) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -1.281 0.000 1.845) 2.246 0.678 ( 3.442 0.000 -3.359) 4.809 0.733 ( -8.508 0.000 -2.048) 8.751 0.843 ( -3.829 0.000 2.511) 4.579 0.921 ( -2.107 0.000 5.347) 5.747 1.022 ( -6.822 0.000 -3.621) 7.724 1.156 ( -3.639 0.000 4.367) 5.684 1.187 ( -1.897 0.000 -3.638) 4.103 1.237 ( 1.721 0.000 2.862) 3.339 1.238 ( 1.391 0.000 3.378) 3.653 1.270 ( 2.283 0.000 -0.839) 2.432 1.306 ( -0.536 0.000 -3.230) 3.274 1.336 ( -9.459 0.000 -2.514) 9.787 1.470 ( 3.198 0.000 -2.148) 3.852 1.576 ( 4.222 0.000 0.421) 4.243 1.590 ( 2.186 0.000 -0.049) 2.187 1.675 ( 1.589 0.000 3.913) 4.223 1.781 ( -0.883 0.000 -4.075) 4.170 1.790 ( 2.785 0.000 5.610) 6.263 1.868 ( -1.579 0.000 3.537) 3.874 1.968 ( -2.886 0.000 -0.570) 2.942 2.038 ( -0.078 0.000 -0.494) 0.500 2.047 ( -2.086 0.000 1.167) 2.390 2.063 ( -0.825 0.000 0.396) 0.915 2.110 ( 4.260 0.000 1.837) 4.639 2.212 ( 0.984 0.000 -2.473) 2.662 2.214 ( 1.733 0.000 0.270) 1.754 2.222 ( -0.061 0.000 -3.027) 3.028 2.251 ( -2.054 0.000 0.822) 2.212 2.292 ( -0.896 0.000 -0.532) 1.042 2.363 ( 1.793 0.000 4.301) 4.660 2.443 ( -1.336 0.000 -0.721) 1.518 2.520 ( 0.452 0.000 2.177) 2.224 2.539 ( -0.884 0.000 0.680) 1.115 2.576 ( 1.463 0.000 -0.357) 1.506 2.675 ( 1.816 0.000 2.924) 3.442 2.724 ( 3.647 0.000 -4.934) 6.135 2.726 ( -2.401 0.000 -1.517) 2.840 2.795 ( 3.650 0.000 1.029) 3.792 2.828 ( -1.389 0.000 -2.342) 2.723 2.848 ( 1.166 0.000 0.762) 1.393 2.872 ( -1.766 0.000 -0.487) 1.832 2.912 ( 2.782 0.000 -0.842) 2.906 2.940 ( -1.880 0.000 -4.153) 4.559 3.045 ( -2.383 0.000 0.184) 2.391 3.087 ( 2.574 0.000 1.073) 2.789 3.200 ( -1.585 0.000 0.155) 1.593 3.203 ( -2.397 0.000 -0.768) 2.518 3.229 ( 1.364 0.000 -0.444) 1.434 3.263 ( 0.620 0.000 -0.895) 1.089 3.352 ( 0.681 0.000 2.411) 2.505 3.403 ( -0.450 0.000 -0.786) 0.906 3.521 ( -0.390 0.000 -0.008) 0.390 3.584 ( -0.311 0.000 3.847) 3.860 3.612 ( 1.016 0.000 3.758) 3.893 3.638 ( 4.208 0.000 -3.563) 5.514 3.846 ( 0.466 0.000 3.415) 3.446 3.875 ( -2.937 0.000 0.185) 2.943 4.237 ( -1.174 0.000 -0.462) 1.262 4.270 ( 2.158 0.000 -0.221) 2.169 4.651 ( -0.608 0.000 1.792) 1.892 4.658 ( 0.165 0.000 1.051) 1.064 4.687 ( -0.296 0.000 -1.510) 1.538 4.716 ( 0.549 0.000 -0.969) 1.114 4.896 ( -1.858 0.000 1.432) 2.346 4.911 ( -0.306 0.000 -0.140) 0.337 5.027 ( 1.600 0.000 -2.078) 2.623 5.082 ( -3.058 0.000 -4.938) 5.808 5.540 ( -0.315 0.000 -0.247) 0.400 5.550 ( 0.235 0.000 -0.492) 0.545 5.626 ( 0.387 0.000 2.627) 2.655 5.683 ( 0.321 0.000 -0.776) 0.839 6.914 ( -5.116 0.000 4.309) 6.688 7.025 ( 0.209 0.000 0.119) 0.240 10.470 ( -0.115 0.000 0.556) 0.568 10.529 ( 0.774 0.000 -1.416) 1.614 10.600 ( 0.640 0.000 -0.627) 0.896 10.617 ( 1.853 0.000 0.541) 1.931 10.766 ( 0.881 0.000 2.848) 2.981 10.773 ( 1.875 0.000 3.465) 3.939 10.921 ( -1.823 0.000 -4.286) 4.657 10.921 ( -1.078 0.000 -4.325) 4.457 13.650 ( -2.103 0.000 -1.160) 2.402 13.675 ( 2.077 0.000 -0.103) 2.079 ======================= Grid point 75 (39/66) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -5.034 0.000 5.277) 7.293 0.544 ( -10.129 0.000 2.038) 10.332 0.755 ( 4.084 0.000 1.861) 4.488 0.839 ( -1.458 0.000 4.969) 5.178 0.881 ( -4.804 0.000 -4.315) 6.457 0.915 ( -6.696 0.000 11.251) 13.092 1.056 ( -11.828 0.000 0.699) 11.849 1.105 ( -1.362 0.000 -5.595) 5.758 1.206 ( -2.973 0.000 4.713) 5.572 1.256 ( -2.754 0.000 1.591) 3.181 1.267 ( -1.022 0.000 1.920) 2.175 1.302 ( 1.693 0.000 0.541) 1.777 1.368 ( 8.219 0.000 -3.837) 9.071 1.432 ( -3.109 0.000 -3.185) 4.451 1.634 ( 1.739 0.000 -6.733) 6.954 1.634 ( 2.429 0.000 -0.701) 2.528 1.731 ( 0.639 0.000 -0.911) 1.113 1.758 ( 3.204 0.000 4.166) 5.255 1.873 ( -1.142 0.000 5.596) 5.711 1.886 ( 4.257 0.000 0.333) 4.270 1.915 ( -1.004 0.000 0.192) 1.022 2.027 ( -2.194 0.000 0.170) 2.201 2.056 ( 1.700 0.000 1.147) 2.050 2.062 ( -0.097 0.000 2.912) 2.914 2.120 ( -2.933 0.000 -5.744) 6.449 2.197 ( 2.037 0.000 2.330) 3.095 2.226 ( -1.145 0.000 0.496) 1.248 2.255 ( 2.948 0.000 1.716) 3.411 2.303 ( 2.392 0.000 0.766) 2.512 2.316 ( 3.398 0.000 0.774) 3.485 2.415 ( -0.213 0.000 -2.233) 2.243 2.423 ( 1.605 0.000 2.261) 2.773 2.493 ( -3.235 0.000 -1.577) 3.599 2.512 ( -1.649 0.000 -0.340) 1.684 2.584 ( -0.283 0.000 -2.652) 2.667 2.666 ( -1.880 0.000 -1.112) 2.184 2.707 ( -0.300 0.000 -0.751) 0.808 2.726 ( 1.549 0.000 -2.137) 2.639 2.783 ( -0.212 0.000 -2.617) 2.626 2.857 ( -0.334 0.000 0.188) 0.384 2.858 ( 2.036 0.000 2.247) 3.033 2.873 ( -1.530 0.000 -2.779) 3.172 2.893 ( 2.614 0.000 0.625) 2.688 2.960 ( 3.151 0.000 -0.778) 3.246 2.992 ( -3.292 0.000 -1.114) 3.475 3.114 ( -0.551 0.000 1.292) 1.405 3.159 ( -1.095 0.000 -1.426) 1.798 3.176 ( -0.754 0.000 -0.671) 1.010 3.226 ( -1.441 0.000 -0.404) 1.496 3.254 ( -0.321 0.000 -0.962) 1.014 3.387 ( 0.909 0.000 1.521) 1.772 3.399 ( 0.917 0.000 -1.263) 1.561 3.517 ( 0.145 0.000 -0.095) 0.173 3.601 ( -1.946 0.000 1.316) 2.350 3.663 ( 2.807 0.000 -3.301) 4.333 3.685 ( 3.669 0.000 2.523) 4.453 3.854 ( -0.367 0.000 1.974) 2.008 3.877 ( -0.292 0.000 2.767) 2.782 4.225 ( 0.384 0.000 -0.170) 0.420 4.296 ( 1.078 0.000 -0.732) 1.303 4.645 ( -1.485 0.000 1.224) 1.924 4.678 ( 0.965 0.000 -0.750) 1.222 4.695 ( 1.785 0.000 2.824) 3.341 4.715 ( 0.589 0.000 -1.370) 1.492 4.888 ( -1.190 0.000 1.339) 1.792 4.902 ( -0.921 0.000 -0.344) 0.983 4.980 ( -3.632 0.000 -3.300) 4.907 5.018 ( -1.399 0.000 1.298) 1.908 5.537 ( 0.058 0.000 0.253) 0.259 5.553 ( 0.448 0.000 -0.166) 0.478 5.667 ( 1.686 0.000 2.310) 2.860 5.674 ( 0.132 0.000 -1.884) 1.888 6.856 ( -5.842 0.000 3.497) 6.808 7.021 ( -1.464 0.000 1.461) 2.068 10.486 ( 1.101 0.000 0.875) 1.406 10.537 ( 1.910 0.000 -0.988) 2.151 10.620 ( 2.352 0.000 -0.749) 2.469 10.661 ( 2.784 0.000 0.655) 2.860 10.781 ( -0.425 0.000 -0.839) 0.940 10.802 ( -1.144 0.000 -2.623) 2.862 10.864 ( -0.674 0.000 0.451) 0.811 10.873 ( -1.688 0.000 -1.067) 1.997 13.612 ( -1.509 0.000 -0.099) 1.512 13.702 ( 1.400 0.000 -0.580) 1.516 ======================= Grid point 76 (40/66) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -1.557 0.000 9.340) 9.469 0.506 ( -1.331 0.000 10.883) 10.965 0.777 ( -6.797 0.000 2.985) 7.424 0.823 ( 2.311 0.000 -1.115) 2.566 0.884 ( 1.337 0.000 1.969) 2.380 0.913 ( -5.210 0.000 0.927) 5.292 0.973 ( -2.203 0.000 19.191) 19.317 1.053 ( 1.080 0.000 -4.573) 4.699 1.193 ( -4.946 0.000 5.973) 7.755 1.245 ( 0.516 0.000 2.082) 2.145 1.258 ( -1.432 0.000 0.900) 1.691 1.324 ( 0.319 0.000 1.387) 1.423 1.354 ( -1.142 0.000 -4.645) 4.784 1.437 ( 3.904 0.000 -4.352) 5.846 1.549 ( -1.490 0.000 -7.158) 7.312 1.635 ( -0.792 0.000 -2.260) 2.395 1.773 ( 2.340 0.000 0.437) 2.381 1.835 ( 2.408 0.000 1.431) 2.801 1.863 ( 0.026 0.000 1.124) 1.125 1.959 ( 0.917 0.000 3.494) 3.612 1.972 ( 4.102 0.000 -0.758) 4.171 2.007 ( -0.782 0.000 2.559) 2.676 2.031 ( -3.195 0.000 -1.501) 3.530 2.082 ( -0.355 0.000 1.585) 1.624 2.105 ( 2.122 0.000 0.467) 2.172 2.213 ( -1.215 0.000 0.583) 1.348 2.231 ( 0.559 0.000 0.313) 0.641 2.283 ( -3.522 0.000 -3.693) 5.103 2.309 ( -2.257 0.000 0.908) 2.433 2.323 ( 1.291 0.000 2.941) 3.212 2.400 ( -2.012 0.000 -0.751) 2.147 2.451 ( 0.833 0.000 -1.024) 1.320 2.457 ( 2.824 0.000 -2.140) 3.543 2.505 ( 1.047 0.000 -0.093) 1.051 2.523 ( -1.732 0.000 -1.892) 2.565 2.667 ( 1.503 0.000 -0.465) 1.573 2.669 ( -3.830 0.000 0.020) 3.830 2.715 ( 1.190 0.000 -3.996) 4.170 2.790 ( 2.497 0.000 -1.204) 2.772 2.839 ( -0.792 0.000 0.912) 1.208 2.872 ( 1.630 0.000 -0.337) 1.664 2.892 ( -1.698 0.000 1.218) 2.090 2.922 ( 1.060 0.000 -2.038) 2.297 2.937 ( -0.219 0.000 0.353) 0.415 2.995 ( 1.412 0.000 -0.117) 1.417 3.101 ( -2.571 0.000 2.175) 3.368 3.138 ( 0.804 0.000 -3.418) 3.511 3.163 ( 0.359 0.000 -1.841) 1.876 3.188 ( -1.490 0.000 -0.971) 1.779 3.243 ( -0.252 0.000 -0.238) 0.346 3.393 ( -1.581 0.000 -0.169) 1.590 3.400 ( 0.985 0.000 -2.178) 2.390 3.523 ( 0.388 0.000 0.203) 0.438 3.557 ( -2.640 0.000 0.373) 2.667 3.653 ( -0.683 0.000 -2.273) 2.373 3.725 ( -0.502 0.000 -2.400) 2.452 3.905 ( -0.707 0.000 6.229) 6.269 3.907 ( 3.545 0.000 2.721) 4.469 4.236 ( 0.298 0.000 -0.324) 0.440 4.284 ( -0.936 0.000 -2.116) 2.314 4.632 ( -1.072 0.000 1.007) 1.471 4.686 ( 0.409 0.000 -1.240) 1.306 4.728 ( 2.293 0.000 -0.677) 2.391 4.749 ( -0.288 0.000 3.244) 3.256 4.859 ( -0.744 0.000 -2.105) 2.233 4.864 ( -2.796 0.000 0.802) 2.908 4.955 ( 1.276 0.000 1.660) 2.094 5.049 ( 2.408 0.000 4.073) 4.732 5.545 ( 0.318 0.000 0.526) 0.615 5.559 ( 0.337 0.000 -0.023) 0.338 5.657 ( 0.221 0.000 -2.087) 2.099 5.707 ( 1.654 0.000 -1.142) 2.010 6.804 ( -4.456 0.000 4.086) 6.045 7.018 ( 0.028 0.000 0.999) 1.000 10.513 ( 0.947 0.000 0.946) 1.339 10.573 ( 2.991 0.000 -0.911) 3.127 10.648 ( 1.459 0.000 -1.043) 1.793 10.698 ( -0.263 0.000 -0.127) 0.292 10.744 ( -0.745 0.000 -2.875) 2.970 10.769 ( 3.209 0.000 -3.114) 4.472 10.837 ( -3.202 0.000 1.371) 3.483 10.841 ( -3.727 0.000 0.411) 3.750 13.605 ( 0.268 0.000 0.977) 1.013 13.705 ( 0.024 0.000 -1.228) 1.228 ======================= Grid point 77 (41/66) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.523 -1.460 7.548) 7.705 0.634 ( -4.066 -1.365 5.144) 6.698 0.738 ( -4.452 3.736 3.968) 7.037 0.832 ( -2.866 -1.543 6.594) 7.354 0.858 ( 5.084 -0.253 -2.262) 5.571 0.913 ( -0.085 -0.006 3.255) 3.257 1.078 ( 0.434 2.060 0.569) 2.181 1.107 ( 1.672 0.724 -0.359) 1.856 1.203 ( -1.441 -1.784 -0.119) 2.297 1.255 ( 0.505 -4.594 5.219) 6.971 1.275 ( 4.276 -1.680 3.731) 5.918 1.320 ( 2.094 -0.165 -0.318) 2.124 1.354 ( 1.625 -0.603 2.306) 2.885 1.406 ( -0.098 -1.064 1.180) 1.592 1.488 ( -0.391 2.920 0.188) 2.952 1.607 ( -1.928 2.147 -1.262) 3.149 1.775 ( -1.378 0.860 -0.886) 1.851 1.850 ( 0.655 0.218 -5.094) 5.141 1.903 ( -3.700 -0.858 1.518) 4.090 1.922 ( -2.844 -2.865 5.067) 6.479 1.973 ( 1.765 -2.312 -0.449) 2.944 2.038 ( 1.322 -2.084 -1.802) 3.056 2.050 ( -0.145 3.269 1.056) 3.438 2.096 ( -1.299 1.831 -0.064) 2.246 2.122 ( 1.677 0.412 1.134) 2.066 2.158 ( -0.276 -0.114 -0.497) 0.580 2.186 ( -1.399 0.514 0.451) 1.557 2.240 ( -1.618 -1.538 -2.119) 3.078 2.308 ( 0.557 3.111 1.511) 3.503 2.372 ( -1.406 0.564 2.220) 2.688 2.421 ( 0.893 2.834 -0.006) 2.972 2.471 ( 0.952 0.781 -2.423) 2.718 2.519 ( 1.508 -0.085 -1.232) 1.949 2.521 ( 0.692 3.616 -1.203) 3.873 2.555 ( 1.158 1.980 0.437) 2.335 2.578 ( -3.246 -0.546 0.345) 3.310 2.667 ( -0.277 -0.024 -2.118) 2.136 2.704 ( 0.440 -1.122 -2.431) 2.713 2.768 ( 2.130 -4.143 -1.641) 4.939 2.804 ( -0.929 -2.369 -1.542) 2.975 2.839 ( 0.501 -0.715 -1.181) 1.469 2.862 ( 1.036 -4.140 0.099) 4.269 2.895 ( 0.634 -0.455 -1.401) 1.604 2.982 ( -0.443 -0.344 1.133) 1.264 2.994 ( -1.156 0.605 -2.544) 2.859 3.073 ( 2.550 -1.122 -0.192) 2.792 3.095 ( 0.231 -0.149 -0.547) 0.612 3.116 ( -1.497 -1.676 -0.046) 2.247 3.227 ( 0.119 2.578 -2.448) 3.557 3.260 ( -0.227 1.342 -1.725) 2.197 3.381 ( -1.548 2.395 0.096) 2.853 3.423 ( 0.373 2.120 -1.888) 2.864 3.499 ( -0.442 -1.252 1.253) 1.825 3.546 ( -0.979 -1.264 -0.764) 1.772 3.661 ( -2.166 5.237 3.161) 6.489 3.742 ( -1.821 5.748 -0.064) 6.030 3.907 ( -2.366 -2.928 4.807) 6.106 3.966 ( 2.048 -2.527 1.956) 3.796 4.211 ( -1.273 -0.206 -1.189) 1.754 4.233 ( -0.531 -1.002 -2.328) 2.590 4.637 ( 0.112 0.064 0.966) 0.975 4.662 ( -0.432 -1.171 -0.511) 1.349 4.744 ( -2.644 1.297 1.010) 3.114 4.760 ( 0.787 0.427 0.262) 0.933 4.834 ( -1.917 0.692 0.883) 2.221 4.863 ( 1.553 -0.285 -0.781) 1.761 5.030 ( 4.698 -0.238 2.961) 5.559 5.093 ( 3.452 -3.080 1.237) 4.789 5.554 ( 0.256 -0.013 0.258) 0.364 5.560 ( 0.198 -0.251 -0.065) 0.326 5.645 ( 0.182 -0.008 -1.277) 1.290 5.667 ( -0.927 -1.271 -2.005) 2.549 6.826 ( -1.756 2.939 4.617) 5.748 6.988 ( 0.684 -3.769 -0.865) 3.927 10.550 ( 0.440 1.774 0.882) 2.030 10.609 ( 0.434 2.376 -1.405) 2.794 10.642 ( -0.580 -1.763 -0.409) 1.900 10.669 ( -0.265 0.454 -1.653) 1.734 10.743 ( -0.370 0.527 -1.129) 1.300 10.756 ( -2.565 0.254 -1.335) 2.903 10.804 ( -0.737 0.264 1.567) 1.752 10.843 ( 4.060 -1.085 -0.123) 4.204 13.641 ( 1.438 0.606 0.841) 1.773 13.675 ( -0.592 -0.731 -1.146) 1.483 ======================= Grid point 78 (42/66) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -8.073 1.120 5.309) 9.727 0.634 ( 0.128 -2.142 2.271) 3.125 0.779 ( 2.597 -0.773 -0.363) 2.734 0.833 ( 2.070 -1.855 4.568) 5.347 0.938 ( 0.077 0.852 5.581) 5.646 0.986 ( 5.690 0.829 0.508) 5.773 1.052 ( -1.327 2.752 -0.498) 3.095 1.126 ( -2.186 -3.873 1.442) 4.675 1.184 ( 1.080 0.192 -2.158) 2.421 1.244 ( -2.847 -7.130 -2.212) 7.989 1.298 ( 0.307 0.863 0.156) 0.929 1.372 ( 0.877 -1.286 -1.465) 2.137 1.380 ( 3.838 -1.208 0.956) 4.136 1.452 ( 2.365 -3.047 -0.574) 3.899 1.548 ( -0.295 4.225 3.870) 5.737 1.602 ( 0.321 2.402 4.076) 4.742 1.712 ( -4.644 1.382 -1.661) 5.122 1.792 ( -1.554 1.386 -0.880) 2.261 1.875 ( -4.050 -3.061 -0.645) 5.118 1.893 ( 0.815 0.633 1.033) 1.460 2.019 ( 0.597 0.415 0.968) 1.211 2.042 ( 2.207 -1.790 2.076) 3.519 2.062 ( -1.089 3.310 -0.395) 3.506 2.072 ( -1.881 0.750 1.512) 2.527 2.139 ( -0.101 2.583 -1.500) 2.989 2.154 ( -0.324 -1.435 0.899) 1.724 2.194 ( 1.978 1.147 1.107) 2.540 2.238 ( 0.843 -2.038 1.720) 2.797 2.322 ( -0.888 0.437 1.963) 2.199 2.356 ( -0.556 0.625 -1.071) 1.359 2.401 ( -0.911 2.680 -2.859) 4.024 2.457 ( -1.696 0.716 -0.190) 1.851 2.491 ( -1.718 0.746 -2.245) 2.924 2.511 ( -1.385 1.510 -0.625) 2.142 2.534 ( -2.033 0.623 0.025) 2.127 2.612 ( 3.429 -1.676 1.083) 3.967 2.629 ( -0.224 2.038 -0.493) 2.108 2.712 ( 0.876 -1.989 0.138) 2.178 2.782 ( 1.353 -1.382 -3.219) 3.755 2.784 ( 1.876 -3.831 -1.645) 4.571 2.844 ( -0.175 -0.577 -2.767) 2.832 2.866 ( 1.236 0.177 1.336) 1.829 2.934 ( -0.061 -0.888 -2.356) 2.518 2.957 ( 3.035 -3.781 0.765) 4.908 2.994 ( 0.973 -0.586 0.312) 1.178 3.081 ( -1.981 0.854 0.722) 2.275 3.090 ( -0.322 -1.267 1.052) 1.678 3.121 ( 2.447 -1.625 -1.629) 3.359 3.205 ( -0.396 2.367 -1.214) 2.690 3.253 ( 1.392 0.982 -1.317) 2.153 3.372 ( -0.412 2.189 0.751) 2.351 3.419 ( 0.980 1.509 -1.331) 2.238 3.495 ( -1.661 -1.692 1.624) 2.874 3.535 ( 0.111 -1.174 -0.024) 1.180 3.656 ( -2.577 5.494 3.599) 7.055 3.717 ( -1.407 6.844 0.294) 6.994 3.879 ( -5.009 -1.745 3.237) 6.214 3.992 ( -0.956 -3.380 1.130) 3.690 4.200 ( 1.014 -0.385 0.063) 1.086 4.220 ( 0.622 -1.288 -0.962) 1.724 4.646 ( -0.294 -0.466 0.764) 0.942 4.649 ( -0.656 -0.912 -0.053) 1.125 4.714 ( -1.554 1.804 0.404) 2.415 4.767 ( -1.029 -0.775 1.066) 1.672 4.829 ( 0.820 1.545 0.493) 1.818 4.883 ( 1.329 -0.280 0.031) 1.358 5.121 ( 1.770 -1.313 -2.873) 3.621 5.124 ( 4.002 -1.007 -0.862) 4.216 5.559 ( 0.183 -0.095 -0.032) 0.209 5.562 ( 0.195 -0.110 -0.225) 0.317 5.630 ( -1.303 -0.006 -0.947) 1.611 5.641 ( 0.155 -0.447 -0.369) 0.600 6.861 ( -0.161 2.115 5.551) 5.942 6.987 ( 1.193 -3.109 -2.366) 4.085 10.551 ( -0.757 1.657 0.530) 1.898 10.598 ( -1.086 3.260 -0.913) 3.555 10.619 ( -1.644 -0.687 0.260) 1.801 10.658 ( -0.063 0.704 -0.153) 0.723 10.684 ( -3.422 -0.115 0.236) 3.432 10.734 ( 0.003 1.762 -0.810) 1.939 10.855 ( 4.351 -1.930 0.207) 4.764 10.905 ( 4.050 -2.285 -1.752) 4.969 13.654 ( -0.495 0.334 -1.065) 1.220 13.674 ( 1.657 -0.436 0.254) 1.732 ======================= Grid point 79 (43/66) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -4.020 1.983 4.788) 6.559 0.641 ( -0.313 -2.069 -0.267) 2.109 0.793 ( 1.063 -0.728 -1.079) 1.681 0.918 ( 1.805 0.367 -2.062) 2.765 0.975 ( 2.191 0.396 0.739) 2.346 1.026 ( 0.566 -0.294 2.181) 2.272 1.069 ( 0.720 -1.254 0.060) 1.447 1.095 ( -2.044 -4.920 1.894) 5.654 1.179 ( -0.845 -4.796 -4.322) 6.511 1.236 ( 5.809 -2.192 3.637) 7.196 1.304 ( -1.350 2.334 0.413) 2.728 1.352 ( -1.718 0.727 -1.198) 2.217 1.415 ( 1.189 -0.210 -3.736) 3.927 1.485 ( 2.599 -1.705 -0.383) 3.132 1.547 ( -0.224 1.040 -1.842) 2.127 1.595 ( -2.717 -1.474 1.522) 3.445 1.678 ( -0.090 5.016 4.581) 6.794 1.771 ( -2.269 4.123 0.785) 4.771 1.830 ( -1.111 -1.080 -0.364) 1.591 1.885 ( -4.451 0.123 0.753) 4.516 2.006 ( -1.913 -0.072 1.082) 2.199 2.026 ( -0.639 -0.106 -0.691) 0.947 2.074 ( -0.195 1.728 1.468) 2.276 2.111 ( -0.972 0.705 -1.173) 1.678 2.124 ( 0.936 0.561 3.679) 3.837 2.138 ( 0.247 -0.132 -0.098) 0.297 2.232 ( -0.213 -1.721 -0.947) 1.976 2.275 ( 1.031 -1.964 -0.587) 2.294 2.329 ( -0.068 -0.741 2.703) 2.804 2.347 ( -0.088 0.328 0.212) 0.400 2.355 ( -0.890 2.030 -2.441) 3.297 2.416 ( -1.708 1.278 -1.382) 2.542 2.468 ( -0.379 1.244 1.218) 1.781 2.482 ( -0.771 0.903 0.906) 1.493 2.524 ( 0.543 -0.004 0.829) 0.991 2.623 ( 0.499 2.423 0.169) 2.480 2.694 ( 2.630 -1.686 0.583) 3.178 2.712 ( 0.058 -0.797 -0.197) 0.823 2.775 ( 1.621 -0.594 -3.197) 3.633 2.807 ( 1.950 -2.682 -1.993) 3.869 2.820 ( 0.554 -1.215 -1.566) 2.057 2.868 ( -0.845 -0.259 -0.380) 0.962 2.949 ( 2.689 1.658 1.626) 3.553 2.998 ( 0.794 -2.821 -1.577) 3.328 3.030 ( 2.094 -0.819 1.132) 2.518 3.049 ( -1.568 1.244 0.030) 2.002 3.118 ( 1.823 -2.953 1.591) 3.818 3.141 ( 2.093 -1.545 -1.833) 3.182 3.206 ( 0.936 1.618 0.584) 1.958 3.267 ( 0.913 0.548 -0.696) 1.273 3.365 ( -1.601 1.837 1.246) 2.737 3.428 ( 1.099 1.663 -0.765) 2.135 3.487 ( -0.908 -2.855 1.462) 3.333 3.531 ( -1.485 -1.658 0.666) 2.323 3.646 ( -2.311 5.130 3.184) 6.465 3.701 ( -0.606 5.830 -0.031) 5.862 3.831 ( -3.878 0.660 3.267) 5.113 3.965 ( -2.582 -2.615 0.118) 3.677 4.221 ( 0.399 -1.226 -0.369) 1.341 4.229 ( 1.052 -1.173 0.659) 1.708 4.644 ( -0.447 -0.359 0.880) 1.051 4.646 ( -0.341 -0.741 0.690) 1.068 4.701 ( -0.120 1.515 -0.402) 1.572 4.749 ( -1.578 -0.582 0.214) 1.696 4.862 ( 1.646 0.172 1.313) 2.113 4.903 ( 0.460 -0.575 0.539) 0.912 5.086 ( 0.448 1.410 -5.710) 5.899 5.164 ( 2.612 -1.458 -3.605) 4.684 5.560 ( 0.091 0.069 -0.357) 0.375 5.562 ( 0.084 0.091 -0.428) 0.445 5.610 ( -0.763 0.532 0.226) 0.957 5.647 ( 0.412 -1.083 0.518) 1.269 6.912 ( -0.386 1.201 5.677) 5.815 6.988 ( 1.478 -1.905 -1.870) 3.052 10.544 ( -0.440 1.491 -0.579) 1.659 10.552 ( -2.813 0.867 -0.694) 3.024 10.590 ( -1.828 0.662 1.454) 2.427 10.660 ( -0.978 -0.648 0.652) 1.342 10.682 ( 1.699 2.835 1.424) 3.599 10.726 ( 0.155 3.207 -0.720) 3.290 10.919 ( 3.533 -3.668 -1.537) 5.320 10.936 ( 2.342 -3.310 -3.067) 5.084 13.644 ( 0.277 0.950 -0.706) 1.216 13.693 ( 0.716 -0.994 -0.662) 1.392 ======================= Grid point 80 (44/66) ======================= q-point: (-0.57 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.227 0.853 2.966) 3.095 0.629 ( 0.342 -2.604 -1.635) 3.094 0.794 ( 0.695 -2.279 -2.951) 3.793 0.895 ( -1.682 -3.432 1.925) 4.280 0.936 ( -5.038 1.986 -1.265) 5.561 1.055 ( -0.105 -2.353 -4.230) 4.841 1.084 ( -1.196 -3.589 0.639) 3.837 1.115 ( 3.984 -5.475 2.200) 7.120 1.187 ( 2.867 -1.334 -2.165) 3.832 1.250 ( -5.030 -0.065 3.009) 5.862 1.292 ( -2.034 2.449 -0.884) 3.304 1.351 ( 3.272 3.108 -0.088) 4.514 1.430 ( 3.614 -0.846 1.260) 3.920 1.481 ( 0.534 -1.207 -5.563) 5.717 1.546 ( 2.171 3.034 0.961) 3.853 1.613 ( -0.390 0.710 3.699) 3.787 1.664 ( -6.930 1.209 2.331) 7.411 1.760 ( -2.672 2.253 -3.472) 4.926 1.823 ( 3.003 3.612 7.430) 8.790 1.838 ( -0.994 0.504 1.790) 2.109 1.986 ( -0.233 -1.300 1.204) 1.787 2.016 ( -0.722 -2.039 -1.408) 2.581 2.067 ( -0.544 0.750 -0.180) 0.944 2.095 ( -3.044 0.842 0.580) 3.211 2.130 ( 1.551 0.706 0.366) 1.742 2.170 ( -1.308 0.933 -4.481) 4.760 2.188 ( -0.495 -3.213 1.800) 3.716 2.252 ( -1.403 -1.121 -2.363) 2.968 2.304 ( -1.606 1.525 -1.746) 2.819 2.341 ( -1.158 0.391 -1.194) 1.709 2.348 ( -0.161 2.457 2.490) 3.502 2.421 ( 1.285 -2.651 1.764) 3.434 2.478 ( -0.815 0.359 2.085) 2.267 2.520 ( 3.000 1.222 2.261) 3.950 2.569 ( 2.724 -0.918 1.935) 3.466 2.631 ( 0.115 3.299 0.189) 3.307 2.696 ( 0.123 -0.430 0.018) 0.448 2.729 ( 0.631 -2.165 -1.105) 2.511 2.784 ( 3.305 1.783 -3.550) 5.167 2.801 ( 0.266 -3.152 -1.272) 3.409 2.828 ( 0.641 -1.165 -1.592) 2.074 2.865 ( -0.125 -0.781 0.630) 1.011 2.969 ( -0.563 -0.415 -1.560) 1.709 3.008 ( -0.964 3.683 -0.852) 3.901 3.027 ( 2.177 1.283 0.825) 2.658 3.079 ( 1.247 -0.038 1.763) 2.159 3.159 ( 0.998 -3.123 1.360) 3.549 3.161 ( 2.908 -3.394 -2.640) 5.191 3.240 ( 1.658 0.463 0.723) 1.867 3.254 ( -1.455 0.040 -0.481) 1.533 3.356 ( -0.897 2.237 1.850) 3.038 3.430 ( -0.477 1.202 -0.531) 1.398 3.492 ( -0.805 -3.153 1.781) 3.710 3.508 ( -0.549 -2.467 0.308) 2.546 3.645 ( -1.207 5.117 2.798) 5.955 3.700 ( 0.636 4.749 -0.264) 4.799 3.822 ( -1.414 1.125 3.729) 4.143 3.918 ( -2.908 -1.496 -0.207) 3.277 4.228 ( 1.187 -1.100 -0.353) 1.656 4.241 ( -0.150 -1.244 0.190) 1.268 4.645 ( -0.298 -0.077 0.823) 0.878 4.651 ( -0.348 -0.194 1.435) 1.490 4.700 ( 0.564 0.673 -1.061) 1.377 4.726 ( -0.786 -0.231 -0.772) 1.126 4.891 ( 0.216 -1.219 0.840) 1.497 4.903 ( -1.302 -0.947 1.735) 2.367 5.053 ( 1.716 2.817 -5.083) 6.060 5.145 ( 0.014 -1.310 -5.091) 5.257 5.556 ( -0.064 0.449 -0.531) 0.698 5.557 ( 0.043 0.258 -0.600) 0.654 5.609 ( -0.195 0.521 1.286) 1.401 5.661 ( 0.627 -1.414 0.440) 1.608 6.942 ( -2.208 0.919 4.900) 5.453 6.999 ( 1.032 -1.390 -0.468) 1.793 10.501 ( -2.008 1.549 -0.026) 2.536 10.540 ( 0.087 0.061 -0.608) 0.617 10.589 ( 0.207 1.336 0.816) 1.579 10.651 ( -0.142 0.917 -0.629) 1.121 10.727 ( 1.435 2.295 2.387) 3.609 10.736 ( 0.950 2.302 1.236) 2.780 10.924 ( 0.395 -3.748 -3.750) 5.317 10.934 ( 0.777 -3.865 -3.196) 5.075 13.651 ( 1.154 0.638 -0.342) 1.362 13.684 ( -0.688 -0.654 -1.223) 1.548 ======================= Grid point 81 (45/66) ======================= q-point: (-0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.297 0.471 0.359) 0.662 0.635 ( 2.551 -3.559 -3.265) 5.462 0.732 ( -5.804 -0.244 0.788) 5.862 0.832 ( -5.890 1.271 1.563) 6.225 0.938 ( 0.154 -2.804 5.367) 6.057 0.980 ( -3.143 -1.017 -3.580) 4.871 1.058 ( -2.541 -7.262 1.171) 7.782 1.119 ( -3.069 -5.091 -3.864) 7.090 1.201 ( 0.030 0.056 1.960) 1.961 1.222 ( 1.929 -2.618 1.764) 3.700 1.311 ( -0.849 4.207 1.643) 4.595 1.374 ( -4.878 1.947 -5.579) 7.663 1.390 ( -2.868 4.570 1.424) 5.580 1.467 ( 0.828 -0.656 -2.262) 2.497 1.583 ( 0.998 0.815 1.501) 1.978 1.635 ( 3.883 3.512 1.285) 5.391 1.660 ( 1.201 -1.796 5.224) 5.653 1.732 ( 0.430 -1.332 -0.535) 1.498 1.844 ( 1.130 2.953 1.599) 3.543 1.916 ( -1.802 3.494 0.990) 4.054 1.987 ( -1.154 0.412 0.696) 1.409 2.027 ( -0.072 -2.713 2.152) 3.464 2.055 ( 0.015 0.999 0.839) 1.305 2.070 ( 1.509 -1.088 0.677) 1.980 2.089 ( -0.643 2.734 -1.348) 3.115 2.171 ( -0.395 -3.273 -1.153) 3.493 2.178 ( -1.002 -2.365 -1.128) 2.805 2.215 ( 1.618 -0.401 -0.958) 1.922 2.277 ( 0.536 1.599 -0.821) 1.876 2.312 ( -0.227 0.612 -1.620) 1.747 2.388 ( 1.349 1.780 2.610) 3.435 2.442 ( 0.291 -0.833 -0.418) 0.976 2.500 ( 0.173 0.722 3.020) 3.110 2.565 ( 0.713 1.126 -0.056) 1.334 2.613 ( -2.230 2.573 0.371) 3.425 2.637 ( 1.612 -3.312 2.113) 4.246 2.688 ( -0.718 -1.592 -1.462) 2.278 2.735 ( 0.861 -0.610 -1.291) 1.668 2.795 ( 0.097 -3.523 -2.347) 4.234 2.813 ( 0.439 -1.923 0.049) 1.973 2.819 ( 3.957 0.696 -1.575) 4.316 2.858 ( 0.660 0.929 -2.273) 2.543 2.951 ( -0.196 3.045 -0.481) 3.089 2.981 ( -0.926 3.697 -1.086) 3.963 3.053 ( -0.215 0.227 0.541) 0.625 3.099 ( -0.383 0.525 -0.059) 0.653 3.160 ( -1.459 -3.087 -0.471) 3.447 3.181 ( 1.510 -4.020 -1.651) 4.601 3.228 ( 0.045 2.097 0.691) 2.208 3.277 ( 1.851 0.829 -0.835) 2.194 3.378 ( 1.107 2.230 2.380) 3.444 3.410 ( -0.808 0.735 -0.328) 1.140 3.490 ( -0.184 -1.946 0.529) 2.025 3.534 ( 2.123 -4.006 0.850) 4.613 3.652 ( -1.004 4.894 2.756) 5.706 3.720 ( 2.153 3.944 -0.312) 4.504 3.838 ( -1.102 -0.503 3.056) 3.288 3.875 ( -1.963 -0.295 0.584) 2.069 4.230 ( -0.599 -0.512 -0.516) 0.942 4.254 ( 1.959 -1.419 -0.242) 2.431 4.654 ( -0.284 0.237 1.672) 1.712 4.658 ( 0.142 0.030 1.113) 1.122 4.691 ( -0.192 0.389 -1.505) 1.567 4.713 ( 0.366 -0.364 -1.257) 1.359 4.888 ( -1.071 -0.342 1.776) 2.102 4.908 ( -0.618 -0.582 1.650) 1.856 5.032 ( -0.111 0.635 -3.117) 3.183 5.073 ( -2.898 -0.860 -4.819) 5.689 5.549 ( -0.144 0.660 -0.456) 0.815 5.554 ( 0.186 0.353 -0.448) 0.600 5.626 ( 0.426 0.253 1.979) 2.041 5.671 ( 0.514 -1.179 -0.543) 1.395 6.929 ( -4.276 1.444 3.801) 5.901 7.007 ( -0.537 -1.687 0.878) 1.976 10.486 ( -0.205 1.624 0.478) 1.706 10.538 ( 0.596 0.258 -0.824) 1.049 10.609 ( 1.626 1.575 0.317) 2.285 10.649 ( 1.279 1.895 -1.243) 2.603 10.763 ( 0.175 0.205 2.092) 2.109 10.780 ( 2.036 1.091 2.342) 3.289 10.880 ( -1.638 -3.417 -3.596) 5.224 10.898 ( -0.687 -2.637 -3.307) 4.285 13.653 ( -1.500 0.336 -1.004) 1.836 13.671 ( 1.455 -0.366 -0.257) 1.522 ======================= Grid point 82 (46/66) ======================= q-point: (-0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -3.350 1.983 3.322) 5.118 0.577 ( -4.366 4.070 1.263) 6.101 0.728 ( 1.936 -2.912 2.474) 4.283 0.804 ( -0.276 -1.069 2.865) 3.070 0.890 ( -4.968 0.734 1.353) 5.201 0.953 ( -2.590 -1.324 1.222) 3.155 1.007 ( -7.387 -2.011 5.525) 9.441 1.113 ( 1.529 -3.951 1.121) 4.383 1.186 ( -3.087 -0.491 1.261) 3.370 1.189 ( -5.429 0.789 0.199) 5.489 1.263 ( -0.608 -0.787 0.299) 1.038 1.316 ( 0.348 0.290 -3.104) 3.137 1.389 ( 1.013 1.008 0.132) 1.435 1.417 ( -2.895 -1.646 -2.954) 4.451 1.598 ( -0.433 0.274 -1.781) 1.853 1.702 ( 1.835 1.116 -1.114) 2.419 1.731 ( 1.786 0.430 2.248) 2.903 1.768 ( 3.382 0.978 2.013) 4.056 1.865 ( -1.308 0.628 3.319) 3.622 1.910 ( 2.527 2.448 -0.325) 3.533 1.944 ( -0.499 1.289 -0.721) 1.559 2.019 ( -1.058 -1.833 0.839) 2.276 2.052 ( -0.894 0.475 -1.071) 1.473 2.096 ( -1.568 0.160 -0.045) 1.577 2.126 ( 2.814 3.494 1.749) 4.815 2.151 ( -0.077 -3.728 0.373) 3.747 2.205 ( 2.055 -1.398 3.035) 3.924 2.228 ( 1.101 -3.281 -1.388) 3.729 2.301 ( 0.885 1.160 0.225) 1.477 2.340 ( 5.395 0.677 -0.199) 5.441 2.430 ( 0.790 0.573 1.427) 1.728 2.435 ( -0.428 1.212 -2.248) 2.590 2.504 ( -1.380 1.977 0.331) 2.434 2.531 ( -2.829 1.572 -0.984) 3.383 2.583 ( 0.234 0.107 -2.076) 2.092 2.656 ( -1.423 -1.605 -0.660) 2.244 2.669 ( 0.102 -2.973 0.662) 3.048 2.711 ( 0.024 0.506 -2.609) 2.658 2.761 ( -1.034 -4.856 -1.689) 5.245 2.829 ( 1.249 0.325 -1.355) 1.872 2.861 ( 1.181 1.148 -0.794) 1.829 2.879 ( 3.061 -2.436 -1.312) 4.126 2.954 ( 0.495 5.544 0.835) 5.628 2.960 ( -0.398 1.509 -0.796) 1.752 3.032 ( -1.773 2.261 -1.384) 3.189 3.069 ( -2.239 -2.643 0.050) 3.465 3.130 ( -0.423 -2.156 -2.289) 3.173 3.175 ( -0.635 -2.428 -1.099) 2.740 3.243 ( 0.503 2.736 0.406) 2.811 3.286 ( 0.643 1.664 -1.613) 2.405 3.400 ( 0.486 1.134 -0.415) 1.302 3.426 ( 1.515 2.751 1.046) 3.310 3.494 ( 0.272 -2.055 -0.004) 2.073 3.578 ( 1.895 -3.978 0.032) 4.407 3.665 ( -0.544 4.241 2.214) 4.815 3.755 ( 2.357 3.499 -0.566) 4.257 3.846 ( -0.558 -1.290 3.737) 3.992 3.868 ( -0.923 -0.572 1.601) 1.934 4.223 ( 0.611 0.110 -0.480) 0.785 4.277 ( 1.118 -1.710 -0.751) 2.176 4.652 ( -1.187 0.703 0.727) 1.559 4.677 ( 0.589 -0.142 -0.230) 0.648 4.696 ( 1.670 0.118 1.829) 2.479 4.711 ( 0.901 -0.400 -0.835) 1.291 4.895 ( -0.920 0.701 2.372) 2.639 4.908 ( -0.703 0.537 0.137) 0.895 4.972 ( -3.963 -0.735 -3.373) 5.256 4.993 ( -2.803 -2.041 1.490) 3.774 5.545 ( -0.010 0.551 -0.055) 0.554 5.555 ( 0.239 0.116 -0.196) 0.330 5.657 ( 1.203 -0.577 1.363) 1.907 5.668 ( 0.390 -0.565 -1.466) 1.619 6.881 ( -5.076 2.368 3.212) 6.456 6.997 ( -1.999 -2.241 1.809) 3.506 10.499 ( 1.066 1.424 0.501) 1.848 10.549 ( 1.779 0.539 -0.818) 2.030 10.644 ( 2.397 1.799 -0.349) 3.017 10.674 ( 2.467 1.473 -0.188) 2.879 10.761 ( -0.868 -1.647 -1.008) 2.117 10.801 ( -1.886 -0.843 -3.311) 3.903 10.835 ( 0.069 -1.303 1.338) 1.869 10.869 ( -0.478 -0.872 -0.646) 1.186 13.625 ( -1.098 1.235 -0.167) 1.661 13.688 ( 0.960 -1.292 -0.508) 1.688 ======================= Grid point 83 (47/66) ======================= q-point: (-0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -3.400 1.999 8.234) 9.129 0.599 ( 0.344 5.511 6.596) 8.602 0.784 ( -0.800 -5.021 3.915) 6.417 0.817 ( 2.479 0.619 -2.926) 3.885 0.834 ( -6.878 2.515 3.757) 8.231 0.902 ( -1.298 -1.723 3.808) 4.377 1.037 ( -1.208 4.793 10.791) 11.870 1.090 ( 0.384 1.987 -1.995) 2.841 1.160 ( -1.024 -2.291 4.288) 4.968 1.202 ( -0.833 -2.844 5.129) 5.923 1.233 ( -1.801 -3.673 0.109) 4.092 1.301 ( 1.157 -0.110 -2.323) 2.597 1.354 ( -0.506 -1.053 -3.333) 3.532 1.412 ( 1.276 -2.064 -0.788) 2.551 1.542 ( -1.951 0.903 -4.307) 4.813 1.661 ( -2.490 0.552 -2.535) 3.596 1.776 ( 1.729 1.487 -0.010) 2.280 1.843 ( 2.259 0.353 2.104) 3.107 1.885 ( -1.051 -0.531 5.119) 5.253 1.945 ( 0.220 -0.630 1.007) 1.208 1.974 ( 0.319 -1.004 -3.542) 3.695 1.983 ( 2.138 0.583 0.800) 2.356 2.073 ( -0.203 1.317 0.686) 1.499 2.077 ( 1.180 1.050 1.662) 2.293 2.141 ( -1.558 1.652 -1.916) 2.971 2.148 ( -0.500 -3.733 0.649) 3.822 2.232 ( -1.438 -0.881 -0.078) 1.688 2.249 ( 2.163 -1.506 0.238) 2.646 2.324 ( -0.328 1.693 0.156) 1.731 2.364 ( -2.724 1.607 -0.265) 3.174 2.403 ( 0.684 1.257 0.353) 1.474 2.451 ( 3.283 -0.684 -1.580) 3.707 2.503 ( 0.930 3.992 -0.034) 4.099 2.510 ( 1.348 1.077 -1.206) 2.105 2.560 ( -0.334 2.659 -2.565) 3.710 2.628 ( -2.873 -2.240 0.590) 3.691 2.663 ( 1.168 -0.582 -1.099) 1.706 2.716 ( 2.124 -0.326 -2.679) 3.435 2.748 ( 0.624 -4.092 -0.027) 4.139 2.821 ( -0.199 0.211 -1.662) 1.687 2.855 ( -1.036 -1.863 0.328) 2.157 2.882 ( 0.119 -4.013 -4.197) 5.808 2.930 ( -2.062 1.254 -1.713) 2.960 2.975 ( 0.167 3.621 1.296) 3.849 3.009 ( 0.782 2.451 -0.418) 2.606 3.046 ( -0.467 -3.438 0.389) 3.492 3.104 ( 0.493 -1.822 -2.984) 3.530 3.146 ( -1.665 -1.805 -0.511) 2.508 3.245 ( 0.119 3.401 -1.282) 3.637 3.274 ( -0.009 1.524 -1.317) 2.015 3.402 ( 0.069 1.245 -0.754) 1.458 3.440 ( -0.042 2.648 -1.008) 2.834 3.497 ( -0.094 -1.363 0.216) 1.383 3.572 ( -1.253 -0.871 -0.944) 1.794 3.670 ( -1.295 3.471 1.762) 4.102 3.771 ( 0.117 3.307 -1.725) 3.732 3.876 ( -0.926 -2.349 5.403) 5.964 3.903 ( 2.536 -0.842 2.850) 3.907 4.232 ( 0.406 -0.146 -0.788) 0.898 4.269 ( -0.633 -1.349 -2.020) 2.510 4.637 ( -0.996 0.521 0.460) 1.214 4.674 ( -0.237 -1.046 -0.977) 1.451 4.734 ( 2.381 0.604 -0.079) 2.457 4.752 ( 0.811 0.078 2.557) 2.684 4.865 ( -1.505 0.597 -1.849) 2.457 4.870 ( -3.386 0.608 0.791) 3.530 4.948 ( 1.565 -0.390 2.192) 2.721 5.012 ( 1.346 -3.053 5.155) 6.141 5.548 ( 0.191 0.240 0.290) 0.422 5.557 ( 0.193 -0.176 -0.040) 0.264 5.656 ( 0.281 -0.044 -1.819) 1.841 5.682 ( 0.927 -1.721 -0.777) 2.103 6.836 ( -3.966 3.029 3.577) 6.140 6.985 ( -1.069 -3.014 1.505) 3.534 10.525 ( 1.440 1.387 0.524) 2.067 10.582 ( 3.074 0.348 -0.766) 3.187 10.666 ( -0.030 0.930 -0.995) 1.362 10.694 ( -0.536 0.364 -1.029) 1.216 10.749 ( -0.275 -0.165 -1.707) 1.737 10.757 ( 3.428 -0.969 -2.279) 4.229 10.823 ( -2.434 -0.261 0.978) 2.636 10.849 ( -2.479 -0.111 -0.266) 2.496 13.619 ( 0.216 1.355 0.655) 1.520 13.690 ( 0.044 -1.452 -0.905) 1.711 ======================= Grid point 84 (48/66) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -2.383 -2.847 5.422) 6.571 0.575 ( -2.383 2.847 5.422) 6.571 0.802 ( -5.794 -2.541 2.806) 6.921 0.802 ( -5.794 2.541 2.806) 6.921 0.890 ( 3.736 -2.527 2.314) 5.069 0.890 ( 3.736 2.527 2.314) 5.069 1.112 ( 1.028 -2.365 2.811) 3.815 1.112 ( 1.028 2.365 2.811) 3.815 1.177 ( -0.373 -2.402 -0.166) 2.437 1.177 ( -0.373 2.402 -0.166) 2.437 1.294 ( 2.394 -2.624 1.013) 3.694 1.294 ( 2.394 2.624 1.013) 3.694 1.358 ( 1.494 -2.906 -1.834) 3.747 1.358 ( 1.494 2.906 -1.834) 3.747 1.591 ( -0.717 -4.490 4.593) 6.463 1.591 ( -0.717 4.490 4.593) 6.463 1.820 ( -1.519 -3.233 -1.387) 3.832 1.820 ( -1.519 3.233 -1.387) 3.832 1.888 ( -2.549 -0.946 3.589) 4.503 1.888 ( -2.549 0.946 3.589) 4.503 1.959 ( 0.676 -3.478 -3.392) 4.905 1.959 ( 0.676 3.478 -3.392) 4.905 2.112 ( 0.118 -1.086 0.774) 1.339 2.112 ( 0.118 1.086 0.774) 1.339 2.148 ( 1.668 -2.336 0.115) 2.872 2.148 ( 1.668 2.336 0.115) 2.872 2.209 ( -0.990 -1.398 0.098) 1.716 2.209 ( -0.990 1.398 0.098) 1.716 2.364 ( -0.816 -1.797 1.478) 2.466 2.364 ( -0.816 1.797 1.478) 2.466 2.464 ( 1.125 -2.376 -0.725) 2.727 2.464 ( 1.125 2.376 -0.725) 2.727 2.530 ( 0.386 -1.847 -2.494) 3.128 2.530 ( 0.386 1.847 -2.494) 3.128 2.599 ( -0.470 -0.531 -0.440) 0.835 2.599 ( -0.470 0.531 -0.440) 0.835 2.674 ( -0.902 -1.117 -2.210) 2.636 2.674 ( -0.902 1.117 -2.210) 2.636 2.734 ( 1.247 -2.825 -1.934) 3.644 2.734 ( 1.247 2.825 -1.934) 3.644 2.819 ( 1.788 -0.586 -0.822) 2.053 2.819 ( 1.788 0.586 -0.822) 2.053 2.931 ( -0.873 -2.942 -1.885) 3.601 2.931 ( -0.873 2.942 -1.885) 3.601 3.040 ( 0.831 -2.382 -2.261) 3.388 3.040 ( 0.831 2.382 -2.261) 3.388 3.097 ( -0.807 -0.310 1.881) 2.070 3.097 ( -0.807 0.310 1.881) 2.070 3.265 ( 0.062 -0.945 -2.487) 2.661 3.265 ( 0.062 0.945 -2.487) 2.661 3.421 ( -0.953 -1.686 -0.324) 1.963 3.421 ( -0.953 1.686 -0.324) 1.963 3.516 ( -0.700 -1.930 -0.059) 2.054 3.516 ( -0.700 1.930 -0.059) 2.054 3.775 ( -1.997 -4.553 4.209) 6.514 3.775 ( -1.997 4.553 4.209) 6.514 3.897 ( 0.060 -3.671 1.310) 3.898 3.897 ( 0.060 3.671 1.310) 3.898 4.214 ( -0.788 -0.636 -1.874) 2.130 4.214 ( -0.788 0.636 -1.874) 2.130 4.643 ( -0.289 -0.635 0.229) 0.734 4.643 ( -0.289 0.635 0.229) 0.734 4.762 ( -1.178 -0.365 0.859) 1.503 4.762 ( -1.178 0.365 0.859) 1.503 4.852 ( 0.127 -0.881 0.052) 0.892 4.852 ( 0.127 0.881 0.052) 0.892 5.040 ( 3.929 -1.633 2.562) 4.967 5.040 ( 3.929 1.633 2.562) 4.967 5.556 ( 0.210 -0.152 0.047) 0.264 5.556 ( 0.210 0.152 0.047) 0.264 5.649 ( -0.197 -0.506 -1.346) 1.451 5.649 ( -0.197 0.506 -1.346) 1.451 6.902 ( -0.931 -4.407 2.142) 4.988 6.902 ( -0.931 4.407 2.142) 4.988 10.595 ( 0.779 -2.508 0.415) 2.658 10.595 ( 0.779 2.508 0.415) 2.658 10.656 ( 0.450 -1.750 -1.776) 2.534 10.656 ( 0.450 1.750 -1.776) 2.534 10.755 ( -1.761 -0.579 -1.852) 2.621 10.755 ( -1.761 0.579 -1.852) 2.621 10.818 ( 1.214 -1.206 0.908) 1.937 10.818 ( 1.214 1.206 0.908) 1.937 13.657 ( 0.418 -0.946 -0.148) 1.044 13.657 ( 0.418 0.946 -0.148) 1.044 ======================= Grid point 86 (49/66) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -3.767 -2.587 5.105) 6.852 0.583 ( -3.767 2.587 5.105) 6.852 0.786 ( 2.841 -1.805 0.907) 3.485 0.786 ( 2.841 1.805 0.907) 3.485 0.977 ( 2.927 -2.471 3.906) 5.471 0.977 ( 2.927 2.471 3.906) 5.471 1.114 ( -3.550 -4.581 0.654) 5.833 1.114 ( -3.550 4.581 0.654) 5.833 1.139 ( -1.823 -4.292 -2.279) 5.191 1.139 ( -1.823 4.292 -2.279) 5.191 1.334 ( 2.733 -1.858 -0.507) 3.344 1.334 ( 2.733 1.858 -0.507) 3.344 1.391 ( 3.589 -2.099 -0.431) 4.180 1.391 ( 3.589 2.099 -0.431) 4.180 1.611 ( -2.991 -1.533 2.875) 4.422 1.611 ( -2.991 1.533 2.875) 4.422 1.770 ( -2.022 -3.635 -1.524) 4.430 1.770 ( -2.022 3.635 -1.524) 4.430 1.880 ( -0.664 -3.223 1.303) 3.539 1.880 ( -0.664 3.223 1.303) 3.539 1.989 ( 2.342 -1.480 2.386) 3.656 1.989 ( 2.342 1.480 2.386) 3.656 2.110 ( -0.980 -1.409 0.196) 1.727 2.110 ( -0.980 1.409 0.196) 1.727 2.156 ( 0.014 -1.987 -0.616) 2.081 2.156 ( 0.014 1.987 -0.616) 2.081 2.216 ( 0.081 -0.309 1.753) 1.782 2.216 ( 0.081 0.309 1.753) 1.782 2.348 ( -1.549 -1.458 -0.469) 2.178 2.348 ( -1.549 1.458 -0.469) 2.178 2.448 ( -0.988 -1.856 -2.610) 3.351 2.448 ( -0.988 1.856 -2.610) 3.351 2.507 ( -0.454 -1.224 -0.560) 1.420 2.507 ( -0.454 1.224 -0.560) 1.420 2.573 ( -1.814 -2.071 -0.184) 2.759 2.573 ( -1.814 2.071 -0.184) 2.759 2.669 ( 1.565 -2.056 0.588) 2.650 2.669 ( 1.565 2.056 0.588) 2.650 2.744 ( 2.050 -1.600 -2.459) 3.579 2.744 ( 2.050 1.600 -2.459) 3.579 2.858 ( 2.875 -2.015 -2.618) 4.380 2.858 ( 2.875 2.015 -2.618) 4.380 2.913 ( 0.479 -1.125 0.891) 1.513 2.913 ( 0.479 1.125 0.891) 1.513 3.032 ( 0.597 -3.254 -1.630) 3.687 3.032 ( 0.597 3.254 -1.630) 3.687 3.100 ( -0.616 -1.046 1.370) 1.830 3.100 ( -0.616 1.046 1.370) 1.830 3.251 ( 0.591 -1.409 -1.474) 2.123 3.251 ( 0.591 1.409 -1.474) 2.123 3.408 ( -0.618 -1.575 0.542) 1.777 3.408 ( -0.618 1.575 0.542) 1.777 3.508 ( -0.566 -1.651 0.259) 1.764 3.508 ( -0.566 1.651 0.259) 1.764 3.764 ( -3.560 -3.871 3.370) 6.246 3.764 ( -3.560 3.871 3.370) 6.246 3.900 ( -0.965 -5.074 1.101) 5.281 3.900 ( -0.965 5.074 1.101) 5.281 4.199 ( 0.529 -0.532 -0.619) 0.973 4.199 ( 0.529 0.532 -0.619) 0.973 4.640 ( -0.529 -0.041 0.420) 0.677 4.640 ( -0.529 0.041 0.420) 0.677 4.746 ( -1.413 -1.347 0.716) 2.080 4.746 ( -1.413 1.347 0.716) 2.080 4.864 ( 0.866 -1.679 0.315) 1.915 4.864 ( 0.866 1.679 0.315) 1.915 5.108 ( 3.408 -0.267 -1.532) 3.746 5.108 ( 3.408 0.267 -1.532) 3.746 5.559 ( 0.289 -0.107 -0.132) 0.336 5.559 ( 0.289 0.107 -0.132) 0.336 5.633 ( -0.470 -0.299 -0.656) 0.861 5.633 ( -0.470 0.299 -0.656) 0.861 6.918 ( 0.380 -3.470 1.931) 3.989 6.918 ( 0.380 3.470 1.931) 3.989 10.589 ( -1.192 -1.819 0.112) 2.177 10.589 ( -1.192 1.819 0.112) 2.177 10.651 ( -1.536 -1.818 -0.951) 2.563 10.651 ( -1.536 1.818 -0.951) 2.563 10.723 ( 1.494 -3.174 -0.616) 3.562 10.723 ( 1.494 3.174 -0.616) 3.562 10.853 ( 1.925 -2.247 -0.272) 2.971 10.853 ( 1.925 2.247 -0.272) 2.971 13.664 ( 0.596 -0.546 -0.397) 0.901 13.664 ( 0.596 0.546 -0.397) 0.901 ======================= Grid point 88 (50/66) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -3.260 -4.852 3.904) 7.029 0.561 ( -3.260 4.852 3.904) 7.029 0.841 ( 1.632 -5.038 -2.433) 5.828 0.841 ( 1.632 5.038 -2.433) 5.828 1.006 ( -1.187 -3.226 0.925) 3.560 1.006 ( -1.187 3.226 0.925) 3.560 1.063 ( -0.669 -3.828 -2.447) 4.592 1.063 ( -0.669 3.828 -2.447) 4.592 1.154 ( 3.575 -4.867 3.315) 6.889 1.154 ( 3.575 4.867 3.315) 6.889 1.358 ( 0.169 -1.238 -0.397) 1.311 1.358 ( 0.169 1.238 -0.397) 1.311 1.427 ( 1.757 -2.886 -2.636) 4.285 1.427 ( 1.757 2.886 -2.636) 4.285 1.573 ( -1.830 -1.239 1.335) 2.582 1.573 ( -1.830 1.239 1.335) 2.582 1.775 ( 0.760 -3.875 4.364) 5.885 1.775 ( 0.760 3.875 4.364) 5.885 1.856 ( -3.122 -3.025 -0.924) 4.444 1.856 ( -3.122 3.025 -0.924) 4.444 2.003 ( -2.455 -0.806 0.056) 2.584 2.003 ( -2.455 0.806 0.056) 2.584 2.097 ( -0.174 -0.836 0.606) 1.047 2.097 ( -0.174 0.836 0.606) 1.047 2.153 ( 0.017 -0.773 -1.510) 1.697 2.153 ( 0.017 0.773 -1.510) 1.697 2.237 ( 0.757 -1.559 0.449) 1.790 2.237 ( 0.757 1.559 0.449) 1.790 2.336 ( 0.432 -0.863 1.485) 1.772 2.336 ( 0.432 0.863 1.485) 1.772 2.396 ( -1.983 -2.293 -2.857) 4.166 2.396 ( -1.983 2.293 -2.857) 4.166 2.492 ( -1.547 -0.483 1.372) 2.124 2.492 ( -1.547 0.483 1.372) 2.124 2.578 ( 1.278 -4.652 1.364) 5.014 2.578 ( 1.278 4.652 1.364) 5.014 2.697 ( 0.983 -1.054 -0.725) 1.613 2.697 ( 0.983 1.054 -0.725) 1.613 2.764 ( 2.984 -1.030 -0.927) 3.291 2.764 ( 2.984 1.030 -0.927) 3.291 2.842 ( -0.497 -2.625 -2.653) 3.765 2.842 ( -0.497 2.625 -2.653) 3.765 2.970 ( 3.298 -1.775 1.549) 4.053 2.970 ( 3.298 1.775 1.549) 4.053 3.035 ( 1.310 -2.187 -1.028) 2.749 3.035 ( 1.310 2.187 -1.028) 2.749 3.106 ( 0.455 -1.750 0.356) 1.843 3.106 ( 0.455 1.750 0.356) 1.843 3.249 ( -0.154 -2.042 -0.019) 2.048 3.249 ( -0.154 2.042 -0.019) 2.048 3.412 ( -0.005 -2.642 1.154) 2.883 3.412 ( -0.005 2.642 1.154) 2.883 3.491 ( -1.795 -2.206 0.156) 2.848 3.491 ( -1.795 2.206 0.156) 2.848 3.736 ( -2.747 -2.736 2.620) 4.679 3.736 ( -2.747 2.736 2.620) 4.679 3.887 ( -1.583 -4.735 0.928) 5.078 3.887 ( -1.583 4.735 0.928) 5.078 4.209 ( 0.669 -0.362 0.047) 0.762 4.209 ( 0.669 0.362 0.047) 0.762 4.639 ( -0.226 -0.019 0.823) 0.854 4.639 ( -0.226 0.019 0.823) 0.854 4.730 ( -0.879 -1.274 -0.142) 1.555 4.730 ( -0.879 1.274 -0.142) 1.555 4.880 ( 0.242 -1.403 0.771) 1.619 4.880 ( 0.242 1.403 0.771) 1.619 5.126 ( 2.274 -2.237 -4.299) 5.353 5.126 ( 2.274 2.237 -4.299) 5.353 5.562 ( 0.254 -0.082 -0.352) 0.442 5.562 ( 0.254 0.082 -0.352) 0.442 5.625 ( -0.219 -0.996 0.184) 1.036 5.625 ( -0.219 0.996 0.184) 1.036 6.946 ( 0.513 -2.113 2.149) 3.057 6.946 ( 0.513 2.113 2.149) 3.057 10.561 ( -1.951 -0.578 -0.493) 2.093 10.561 ( -1.951 0.578 -0.493) 2.093 10.622 ( -1.187 -2.585 1.101) 3.050 10.622 ( -1.187 2.585 1.101) 3.050 10.761 ( 3.252 -2.534 -1.498) 4.387 10.761 ( 3.252 2.534 -1.498) 4.387 10.869 ( 0.606 -1.510 -0.964) 1.891 10.869 ( 0.606 1.510 -0.964) 1.891 13.668 ( 0.514 -1.376 -0.680) 1.619 13.668 ( 0.514 1.376 -0.680) 1.619 ======================= Grid point 90 (51/66) ======================= q-point: (-0.57 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -0.743 -4.208 1.203) 4.439 0.553 ( -0.743 4.208 1.203) 4.439 0.805 ( -0.931 -3.389 -1.800) 3.949 0.805 ( -0.931 3.389 -1.800) 3.949 0.987 ( -4.485 -3.509 -1.872) 5.994 0.987 ( -4.485 3.509 -1.872) 5.994 1.061 ( 3.670 -0.628 1.392) 3.975 1.061 ( 3.670 0.628 1.392) 3.975 1.198 ( -1.806 -2.746 -2.640) 4.216 1.198 ( -1.806 2.746 -2.640) 4.216 1.375 ( 1.988 -3.232 4.319) 5.749 1.375 ( 1.988 3.232 4.319) 5.749 1.427 ( 2.074 -2.968 -2.810) 4.583 1.427 ( 2.074 2.968 -2.810) 4.583 1.591 ( 0.044 -1.691 2.802) 3.273 1.591 ( 0.044 1.691 2.802) 3.273 1.750 ( -5.652 -3.879 -1.164) 6.953 1.750 ( -5.652 3.879 -1.164) 6.953 1.857 ( 2.290 -0.627 4.292) 4.905 1.857 ( 2.290 0.627 4.292) 4.905 1.970 ( -0.881 -0.881 0.170) 1.258 1.970 ( -0.881 0.881 0.170) 1.258 2.096 ( -0.013 -2.163 -1.492) 2.627 2.096 ( -0.013 2.163 -1.492) 2.627 2.136 ( -1.067 -1.524 0.937) 2.084 2.136 ( -1.067 1.524 0.937) 2.084 2.223 ( -1.013 -2.595 -2.854) 3.988 2.223 ( -1.013 2.595 -2.854) 3.988 2.335 ( -1.513 -1.293 -2.864) 3.488 2.335 ( -1.513 1.293 -2.864) 3.488 2.382 ( 0.938 -1.077 3.107) 3.420 2.382 ( 0.938 1.077 3.107) 3.420 2.502 ( 0.724 -1.742 2.809) 3.383 2.502 ( 0.724 1.742 2.809) 3.383 2.607 ( 0.784 -3.264 0.236) 3.365 2.607 ( 0.784 3.264 0.236) 3.365 2.705 ( 1.693 -0.266 -1.023) 1.996 2.705 ( 1.693 0.266 -1.023) 1.996 2.792 ( -1.673 -2.420 -0.591) 3.001 2.792 ( -1.673 2.420 -0.591) 3.001 2.824 ( 2.687 -2.372 -1.382) 3.841 2.824 ( 2.687 2.372 -1.382) 3.841 3.026 ( 2.639 -4.787 -0.058) 5.467 3.026 ( 2.639 4.787 -0.058) 5.467 3.048 ( 0.394 -0.319 -0.040) 0.508 3.048 ( 0.394 0.319 -0.040) 0.508 3.118 ( 0.854 -1.009 -0.565) 1.438 3.118 ( 0.854 1.009 -0.565) 1.438 3.250 ( 0.345 -0.367 0.547) 0.743 3.250 ( 0.345 0.367 0.547) 0.743 3.418 ( -1.277 -3.562 1.893) 4.231 3.418 ( -1.277 3.562 1.893) 4.231 3.467 ( -0.443 -1.917 -0.266) 1.986 3.467 ( -0.443 1.917 -0.266) 1.986 3.728 ( -1.017 -2.262 2.016) 3.196 3.728 ( -1.017 2.262 2.016) 3.196 3.869 ( -1.736 -3.257 1.043) 3.835 3.869 ( -1.736 3.257 1.043) 3.835 4.219 ( 0.641 -0.497 -0.100) 0.818 4.219 ( 0.641 0.497 -0.100) 0.818 4.646 ( -0.067 -0.246 1.184) 1.211 4.646 ( -0.067 0.246 1.184) 1.211 4.715 ( -0.182 -0.786 -1.115) 1.376 4.715 ( -0.182 0.786 -1.115) 1.376 4.885 ( -0.749 -0.565 1.555) 1.817 4.885 ( -0.749 0.565 1.555) 1.817 5.107 ( 0.709 -2.418 -5.034) 5.630 5.107 ( 0.709 2.418 -5.034) 5.630 5.561 ( 0.118 -0.025 -0.473) 0.488 5.561 ( 0.118 0.025 -0.473) 0.488 5.629 ( 0.292 -1.516 0.643) 1.672 5.629 ( 0.292 1.516 0.643) 1.672 6.968 ( -0.609 -1.596 2.381) 2.930 6.968 ( -0.609 1.596 2.381) 2.930 10.530 ( -1.311 -1.064 0.220) 1.703 10.530 ( -1.311 1.064 0.220) 1.703 10.627 ( 0.710 -2.258 0.438) 2.408 10.627 ( 0.710 2.258 0.438) 2.408 10.792 ( 2.208 -0.336 -1.378) 2.625 10.792 ( 2.208 0.336 -1.378) 2.625 10.855 ( -0.768 -0.505 -1.410) 1.683 10.855 ( -0.768 0.505 -1.410) 1.683 13.667 ( 0.234 -0.913 -0.784) 1.226 13.667 ( 0.234 0.913 -0.784) 1.226 ======================= Grid point 92 (52/66) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 1.904 -3.312 -1.318) 4.041 0.561 ( 1.904 3.312 -1.318) 4.041 0.791 ( -1.179 -6.251 -0.488) 6.380 0.791 ( -1.179 6.251 -0.488) 6.380 0.912 ( -3.707 -3.569 4.045) 6.546 0.912 ( -3.707 3.569 4.045) 6.546 1.039 ( -4.713 -2.663 -3.494) 6.443 1.039 ( -4.713 2.663 -3.494) 6.443 1.196 ( 2.560 -0.111 2.426) 3.529 1.196 ( 2.560 0.111 2.426) 3.529 1.380 ( -2.201 -1.885 -3.925) 4.879 1.380 ( -2.201 1.885 -3.925) 4.879 1.447 ( -1.999 -1.419 1.064) 2.673 1.447 ( -1.999 1.419 1.064) 2.673 1.611 ( -0.053 -2.192 4.319) 4.844 1.611 ( -0.053 2.192 4.319) 4.844 1.704 ( 1.559 -2.453 0.403) 2.934 1.704 ( 1.559 2.453 0.403) 2.934 1.916 ( 0.519 -4.099 0.498) 4.162 1.916 ( 0.519 4.099 0.498) 4.162 1.983 ( 0.267 -2.391 2.903) 3.771 1.983 ( 0.267 2.391 2.903) 3.771 2.085 ( -0.303 -1.422 -0.341) 1.493 2.085 ( -0.303 1.422 -0.341) 1.493 2.113 ( -0.397 -1.427 -1.811) 2.339 2.113 ( -0.397 1.427 -1.811) 2.339 2.186 ( -0.665 -2.806 -0.568) 2.939 2.186 ( -0.665 2.806 -0.568) 2.939 2.305 ( 0.744 -1.081 -1.533) 2.019 2.305 ( 0.744 1.081 -1.533) 2.019 2.416 ( 1.308 -1.250 0.845) 1.997 2.416 ( 1.308 1.250 0.845) 1.997 2.556 ( 1.656 -3.855 2.469) 4.869 2.556 ( 1.656 3.855 2.469) 4.869 2.604 ( -0.926 -2.198 -0.703) 2.486 2.604 ( -0.926 2.198 -0.703) 2.486 2.711 ( -2.327 -3.054 -1.028) 3.974 2.711 ( -2.327 3.054 -1.028) 3.974 2.756 ( 1.343 -2.342 -0.680) 2.784 2.756 ( 1.343 2.342 -0.680) 2.784 2.855 ( 1.837 -2.121 -1.060) 3.000 2.855 ( 1.837 2.121 -1.060) 3.000 3.036 ( -1.204 -1.638 -0.529) 2.100 3.036 ( -1.204 1.638 -0.529) 2.100 3.061 ( 1.863 -6.424 -0.983) 6.760 3.061 ( 1.863 6.424 -0.983) 6.760 3.118 ( -0.064 -1.360 -0.961) 1.666 3.118 ( -0.064 1.360 -0.961) 1.666 3.273 ( 1.736 -1.544 -0.096) 2.325 3.273 ( 1.736 1.544 -0.096) 2.325 3.420 ( -0.209 -1.037 2.269) 2.503 3.420 ( -0.209 1.037 2.269) 2.503 3.471 ( 0.988 -1.509 -0.411) 1.850 3.471 ( 0.988 1.509 -0.411) 1.850 3.737 ( -0.113 -2.689 1.807) 3.242 3.737 ( -0.113 2.689 1.807) 3.242 3.852 ( -1.572 -1.846 1.328) 2.764 3.852 ( -1.572 1.846 1.328) 2.764 4.229 ( 0.907 -0.683 -0.423) 1.212 4.229 ( 0.907 0.683 -0.423) 1.212 4.658 ( 0.066 -0.087 1.343) 1.348 4.658 ( 0.066 0.087 1.343) 1.348 4.702 ( 0.074 -0.666 -1.490) 1.633 4.702 ( 0.074 0.666 -1.490) 1.633 4.892 ( -0.714 -0.740 2.638) 2.831 4.892 ( -0.714 0.740 2.638) 2.831 5.052 ( -2.131 -1.185 -4.332) 4.971 5.052 ( -2.131 1.185 -4.332) 4.971 5.557 ( -0.034 -0.167 -0.389) 0.425 5.557 ( -0.034 0.167 -0.389) 0.425 5.643 ( 0.675 -1.367 0.391) 1.574 5.643 ( 0.675 1.367 0.391) 1.574 6.966 ( -2.357 -2.180 2.461) 4.045 6.966 ( -2.357 2.180 2.461) 4.045 10.523 ( 0.067 -1.672 0.308) 1.701 10.523 ( 0.067 1.672 0.308) 1.701 10.650 ( 1.995 -1.820 -0.496) 2.745 10.650 ( 1.995 1.820 -0.496) 2.745 10.801 ( -0.830 -3.392 -1.032) 3.641 10.801 ( -0.830 3.392 -1.032) 3.641 10.831 ( 0.430 -3.292 -0.888) 3.437 10.831 ( 0.430 3.292 -0.888) 3.437 13.662 ( -0.031 -0.496 -0.629) 0.802 13.662 ( -0.031 0.496 -0.629) 0.802 ======================= Grid point 94 (53/66) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.678 -4.280 0.773) 4.401 0.585 ( 0.678 4.280 0.773) 4.401 0.763 ( -0.820 -5.362 1.299) 5.577 0.763 ( -0.820 5.362 1.299) 5.577 0.887 ( -3.642 -2.278 1.075) 4.429 0.887 ( -3.642 2.278 1.075) 4.429 1.017 ( 0.774 -4.443 7.303) 8.583 1.017 ( 0.774 4.443 7.303) 8.583 1.205 ( -2.889 -1.492 -2.437) 4.063 1.205 ( -2.889 1.492 -2.437) 4.063 1.298 ( -3.291 -3.048 -0.460) 4.509 1.298 ( -3.291 3.048 -0.460) 4.509 1.388 ( -2.417 -0.320 -2.176) 3.269 1.388 ( -2.417 0.320 -2.176) 3.269 1.648 ( -0.824 -4.008 2.436) 4.762 1.648 ( -0.824 4.008 2.436) 4.762 1.765 ( 2.771 -1.443 1.696) 3.555 1.765 ( 2.771 1.443 1.696) 3.555 1.915 ( 0.049 -2.948 -0.229) 2.957 1.915 ( 0.049 2.948 -0.229) 2.957 1.972 ( -0.361 -2.353 -1.176) 2.655 1.972 ( -0.361 2.353 -1.176) 2.655 2.072 ( -0.605 -3.008 0.882) 3.192 2.072 ( -0.605 3.008 0.882) 3.192 2.150 ( 0.898 -3.615 0.498) 3.758 2.150 ( 0.898 3.615 0.498) 3.758 2.183 ( 1.594 -1.411 1.250) 2.468 2.183 ( 1.594 1.411 1.250) 2.468 2.332 ( 3.448 -1.402 -0.737) 3.794 2.332 ( 3.448 1.402 -0.737) 3.794 2.440 ( 0.483 -0.328 -0.501) 0.769 2.440 ( 0.483 0.328 -0.501) 0.769 2.558 ( -2.095 -1.837 -1.195) 3.032 2.558 ( -2.095 1.837 -1.195) 3.032 2.586 ( -0.070 -3.318 0.574) 3.368 2.586 ( -0.070 3.318 0.574) 3.368 2.669 ( 0.025 -2.690 -0.926) 2.845 2.669 ( 0.025 2.690 -0.926) 2.845 2.778 ( 0.857 -4.458 -1.481) 4.775 2.778 ( 0.857 4.458 -1.481) 4.775 2.864 ( 0.547 -1.103 -1.396) 1.861 2.864 ( 0.547 1.103 -1.396) 1.861 3.004 ( -1.814 -2.114 -0.694) 2.871 3.004 ( -1.814 2.114 -0.694) 2.871 3.071 ( 0.701 -4.367 -1.347) 4.623 3.071 ( 0.701 4.367 -1.347) 4.623 3.099 ( -0.452 -3.735 -1.714) 4.135 3.099 ( -0.452 3.735 -1.714) 4.135 3.291 ( 1.013 -1.285 -1.154) 2.003 3.291 ( 1.013 1.285 -1.154) 2.003 3.442 ( 0.515 -2.847 0.186) 2.899 3.442 ( 0.515 2.847 0.186) 2.899 3.496 ( 1.860 -4.029 0.872) 4.522 3.496 ( 1.860 4.029 0.872) 4.522 3.757 ( 0.116 -3.876 2.041) 4.382 3.757 ( 0.116 3.876 2.041) 4.382 3.845 ( -0.834 -1.778 1.920) 2.747 3.845 ( -0.834 1.778 1.920) 2.747 4.240 ( 1.014 -1.640 -0.778) 2.079 4.240 ( 1.014 1.640 -0.778) 2.079 4.668 ( -0.412 -0.742 0.191) 0.869 4.668 ( -0.412 0.742 0.191) 0.869 4.702 ( 1.448 -0.432 0.346) 1.550 4.702 ( 1.448 0.432 0.346) 1.550 4.911 ( -0.041 -0.569 2.768) 2.826 4.911 ( -0.041 0.569 2.768) 2.826 4.963 ( -4.650 -0.398 -1.781) 4.996 4.963 ( -4.650 0.398 -1.781) 4.996 5.554 ( -0.078 -0.288 -0.167) 0.341 5.554 ( -0.078 0.288 -0.167) 0.341 5.656 ( 0.801 -0.451 -0.390) 0.999 5.656 ( 0.801 0.451 -0.390) 0.999 6.940 ( -3.437 -3.232 2.545) 5.360 6.940 ( -3.437 3.232 2.545) 5.360 10.536 ( 1.309 -1.764 -0.123) 2.200 10.536 ( 1.309 1.764 -0.123) 2.200 10.684 ( 2.963 -1.738 -0.795) 3.526 10.684 ( 2.963 1.738 -0.795) 3.526 10.755 ( -2.576 -2.207 -1.263) 3.620 10.755 ( -2.576 2.207 -1.263) 3.620 10.845 ( 0.704 -1.334 -0.134) 1.514 10.845 ( 0.704 1.334 -0.134) 1.514 13.656 ( -0.083 -1.788 -0.335) 1.821 13.656 ( -0.083 1.788 -0.335) 1.821 ======================= Grid point 96 (54/66) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -3.359 -5.445 3.989) 7.539 0.582 ( -3.359 5.445 3.989) 7.539 0.802 ( 2.242 -3.982 3.148) 5.549 0.802 ( 2.242 3.982 3.148) 5.549 0.866 ( -2.529 -0.795 2.934) 3.955 0.866 ( -2.529 0.795 2.934) 3.955 1.085 ( -0.965 -2.682 2.317) 3.674 1.085 ( -0.965 2.682 2.317) 3.674 1.157 ( 1.234 -1.565 1.897) 2.751 1.157 ( 1.234 1.565 1.897) 2.751 1.253 ( -1.649 -5.598 1.662) 6.068 1.253 ( -1.649 5.598 1.662) 6.068 1.358 ( 0.649 -2.639 -1.964) 3.353 1.358 ( 0.649 2.639 -1.964) 3.353 1.612 ( -3.312 -4.747 -0.503) 5.810 1.612 ( -3.312 4.747 -0.503) 5.810 1.821 ( 1.613 -2.244 1.764) 3.279 1.821 ( 1.613 2.244 1.764) 3.279 1.898 ( -2.343 -2.777 1.774) 4.044 1.898 ( -2.343 2.777 1.774) 4.044 1.985 ( 1.474 -1.440 -2.615) 3.329 1.985 ( 1.474 1.440 -2.615) 3.329 2.085 ( 1.250 -1.115 1.504) 2.252 2.085 ( 1.250 1.115 1.504) 2.252 2.133 ( -0.932 -1.983 0.092) 2.193 2.133 ( -0.932 1.983 0.092) 2.193 2.229 ( 1.015 -0.468 -0.564) 1.252 2.229 ( 1.015 0.468 -0.564) 1.252 2.368 ( -0.515 -1.572 0.140) 1.660 2.368 ( -0.515 1.572 0.140) 1.660 2.428 ( 2.187 -1.449 -0.679) 2.710 2.428 ( 2.187 1.449 -0.679) 2.710 2.537 ( -0.178 -2.153 -0.350) 2.189 2.537 ( -0.178 2.153 -0.350) 2.189 2.599 ( 1.470 -3.011 -0.695) 3.422 2.599 ( 1.470 3.011 -0.695) 3.422 2.681 ( 1.411 -2.313 -0.518) 2.759 2.681 ( 1.411 2.313 -0.518) 2.759 2.753 ( -0.502 -5.319 -3.105) 6.180 2.753 ( -0.502 5.319 -3.105) 6.180 2.840 ( -1.325 -1.265 -2.172) 2.841 2.840 ( -1.325 1.265 -2.172) 2.841 2.967 ( -1.736 -2.397 -0.908) 3.095 2.967 ( -1.736 2.397 -0.908) 3.095 3.053 ( 0.612 -0.916 -3.530) 3.698 3.053 ( 0.612 0.916 -3.530) 3.698 3.092 ( -0.351 -2.673 1.121) 2.919 3.092 ( -0.351 2.673 1.121) 2.919 3.285 ( 0.119 -0.558 -1.840) 1.927 3.285 ( 0.119 0.558 -1.840) 1.927 3.438 ( -0.313 -2.088 -0.827) 2.267 3.438 ( -0.313 2.088 -0.827) 2.267 3.524 ( 0.408 -3.181 0.022) 3.208 3.524 ( 0.408 3.181 0.022) 3.208 3.766 ( -1.588 -4.570 3.170) 5.784 3.766 ( -1.588 4.570 3.170) 5.784 3.870 ( 1.085 -2.228 2.048) 3.214 3.870 ( 1.085 2.228 2.048) 3.214 4.241 ( 0.078 -1.125 -1.612) 1.967 4.241 ( 0.078 1.125 -1.612) 1.967 4.652 ( -0.781 -1.019 -0.434) 1.355 4.652 ( -0.781 1.019 -0.434) 1.355 4.747 ( 2.044 -0.572 1.181) 2.429 4.747 ( 2.044 0.572 1.181) 2.429 4.877 ( -3.131 -0.261 -0.751) 3.231 4.877 ( -3.131 0.261 -0.751) 3.231 4.958 ( 1.225 -1.796 4.643) 5.126 4.958 ( 1.225 1.796 4.643) 5.126 5.553 ( 0.050 -0.260 0.041) 0.268 5.553 ( 0.050 0.260 0.041) 0.268 5.659 ( 0.474 -0.538 -1.209) 1.406 5.659 ( 0.474 0.538 -1.209) 1.406 6.911 ( -2.736 -4.147 2.523) 5.572 6.911 ( -2.736 4.147 2.523) 5.572 10.563 ( 2.230 -2.007 -0.234) 3.009 10.563 ( 2.230 2.007 -0.234) 3.009 10.691 ( -2.025 -1.418 -1.438) 2.860 10.691 ( -2.025 1.418 -1.438) 2.860 10.741 ( 3.144 -0.371 -0.730) 3.249 10.741 ( 3.144 0.371 -0.730) 3.249 10.835 ( -1.700 -1.085 -0.346) 2.046 10.835 ( -1.700 1.085 -0.346) 2.046 13.654 ( 0.114 -1.986 -0.123) 1.993 13.654 ( 0.114 1.986 -0.123) 1.993 ======================= Grid point 105 (55/66) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -2.359 0.000 -0.048) 2.360 0.685 ( 2.359 0.000 0.048) 2.360 0.785 ( 7.999 0.000 -4.144) 9.009 0.785 ( -7.999 0.000 4.144) 9.009 0.985 ( 0.500 0.000 -0.370) 0.622 0.985 ( -0.500 0.000 0.370) 0.622 1.041 ( -5.523 0.000 0.637) 5.559 1.041 ( 5.523 0.000 -0.637) 5.559 1.273 ( 2.671 0.000 -2.005) 3.339 1.273 ( -2.671 0.000 2.005) 3.339 1.332 ( -3.076 0.000 -3.395) 4.581 1.332 ( 3.076 0.000 3.395) 4.581 1.440 ( -0.316 0.000 -3.479) 3.493 1.440 ( 0.316 0.000 3.479) 3.493 1.539 ( -3.527 0.000 -1.076) 3.688 1.539 ( 3.527 0.000 1.076) 3.688 1.779 ( 2.342 0.000 -1.301) 2.679 1.779 ( -2.342 0.000 1.301) 2.679 1.924 ( -1.179 0.000 -4.013) 4.183 1.924 ( 1.179 0.000 4.013) 4.183 1.990 ( -1.518 0.000 -2.431) 2.866 1.990 ( 1.518 0.000 2.431) 2.866 2.074 ( 1.523 0.000 -1.213) 1.947 2.074 ( -1.523 0.000 1.213) 1.947 2.154 ( -3.641 0.000 -3.012) 4.725 2.154 ( 3.641 0.000 3.012) 4.725 2.225 ( 2.870 0.000 -2.951) 4.117 2.225 ( -2.870 0.000 2.951) 4.117 2.323 ( -1.068 0.000 -4.052) 4.191 2.323 ( 1.068 0.000 4.052) 4.191 2.424 ( 1.543 0.000 -2.077) 2.587 2.424 ( -1.543 0.000 2.077) 2.587 2.492 ( -1.825 0.000 -1.218) 2.194 2.492 ( 1.825 0.000 1.218) 2.194 2.576 ( -3.389 0.000 -1.426) 3.677 2.576 ( 3.389 0.000 1.426) 3.677 2.648 ( 2.769 0.000 -1.506) 3.152 2.648 ( -2.769 0.000 1.506) 3.152 2.800 ( -0.844 0.000 -1.093) 1.381 2.800 ( 0.844 0.000 1.093) 1.381 2.876 ( -1.470 0.000 -0.924) 1.736 2.876 ( 1.470 0.000 0.924) 1.736 2.940 ( -2.704 0.000 -1.548) 3.116 2.940 ( 2.704 0.000 1.548) 3.116 3.066 ( -0.426 0.000 -3.390) 3.417 3.066 ( 0.426 0.000 3.390) 3.417 3.100 ( -0.439 0.000 -1.461) 1.525 3.100 ( 0.439 0.000 1.461) 1.525 3.193 ( -0.930 0.000 -1.868) 2.086 3.193 ( 0.930 0.000 1.868) 2.086 3.356 ( 0.991 0.000 -0.866) 1.317 3.356 ( -0.991 0.000 0.866) 1.317 3.551 ( -0.056 0.000 -0.952) 0.954 3.551 ( 0.056 0.000 0.952) 0.954 3.637 ( -0.973 0.000 -1.406) 1.709 3.637 ( 0.973 0.000 1.406) 1.709 4.008 ( -3.545 0.000 1.022) 3.690 4.008 ( 3.545 0.000 -1.022) 3.690 4.208 ( 0.950 0.000 -0.581) 1.114 4.208 ( -0.950 0.000 0.581) 1.114 4.660 ( -0.339 0.000 -0.803) 0.871 4.660 ( 0.339 0.000 0.803) 0.871 4.745 ( -3.107 0.000 0.701) 3.185 4.745 ( 3.107 0.000 -0.701) 3.185 4.847 ( -2.449 0.000 0.804) 2.577 4.847 ( 2.449 0.000 -0.804) 2.577 5.099 ( -1.332 0.000 -2.502) 2.835 5.099 ( 1.332 0.000 2.502) 2.835 5.560 ( -0.073 0.000 -0.162) 0.178 5.560 ( 0.073 0.000 0.162) 0.178 5.640 ( -1.022 0.000 -0.932) 1.383 5.640 ( 1.022 0.000 0.932) 1.383 6.931 ( 1.078 0.000 -6.087) 6.182 6.931 ( -1.078 0.000 6.087) 6.182 10.558 ( -0.167 0.000 -1.200) 1.212 10.558 ( 0.167 0.000 1.200) 1.212 10.648 ( -1.291 0.000 -0.293) 1.324 10.648 ( 1.291 0.000 0.293) 1.324 10.735 ( -2.030 0.000 -0.586) 2.113 10.735 ( 2.030 0.000 0.586) 2.113 10.837 ( 1.945 0.000 -1.214) 2.292 10.837 ( -1.945 0.000 1.214) 2.292 13.657 ( -1.542 0.000 -0.923) 1.797 13.657 ( 1.542 0.000 0.923) 1.797 ======================= Grid point 107 (56/66) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -1.968 0.000 -2.592) 3.255 0.629 ( -6.593 0.000 1.218) 6.705 0.777 ( 3.196 0.000 0.122) 3.198 0.841 ( 1.671 0.000 -3.480) 3.860 0.952 ( -3.748 0.000 -0.660) 3.806 0.997 ( 2.629 0.000 -3.931) 4.729 1.035 ( 6.019 0.000 -3.390) 6.909 1.116 ( 3.838 0.000 1.426) 4.094 1.254 ( -2.362 0.000 1.829) 2.987 1.270 ( -0.228 0.000 1.264) 1.284 1.289 ( 0.892 0.000 -1.736) 1.952 1.370 ( -1.351 0.000 1.208) 1.813 1.415 ( -4.360 0.000 -2.757) 5.159 1.452 ( 2.065 0.000 -2.135) 2.971 1.456 ( -0.407 0.000 -9.411) 9.420 1.574 ( 4.513 0.000 1.845) 4.876 1.730 ( -4.070 0.000 4.828) 6.314 1.773 ( -2.100 0.000 0.338) 2.127 1.896 ( -2.435 0.000 -0.618) 2.512 1.953 ( -3.291 0.000 1.760) 3.732 2.027 ( 2.104 0.000 3.646) 4.209 2.036 ( -0.596 0.000 0.416) 0.727 2.068 ( 3.413 0.000 -2.354) 4.146 2.070 ( 0.921 0.000 2.760) 2.909 2.089 ( -1.163 0.000 -2.855) 3.083 2.205 ( -1.445 0.000 1.783) 2.295 2.241 ( 2.127 0.000 -3.221) 3.860 2.267 ( -1.651 0.000 -3.074) 3.489 2.278 ( 6.385 0.000 3.748) 7.404 2.365 ( -0.375 0.000 2.322) 2.352 2.407 ( -2.394 0.000 0.572) 2.461 2.423 ( -1.601 0.000 -1.141) 1.966 2.442 ( -0.237 0.000 -0.354) 0.426 2.495 ( -1.213 0.000 0.480) 1.304 2.525 ( -0.607 0.000 -1.171) 1.319 2.612 ( -3.058 0.000 2.942) 4.243 2.663 ( 0.901 0.000 -1.768) 1.985 2.664 ( 4.851 0.000 1.327) 5.029 2.779 ( -2.015 0.000 -0.106) 2.018 2.842 ( -1.498 0.000 -0.047) 1.499 2.847 ( 1.851 0.000 2.807) 3.363 2.892 ( -1.167 0.000 -1.652) 2.023 2.901 ( 1.188 0.000 0.960) 1.528 2.986 ( 1.283 0.000 -1.077) 1.676 3.026 ( -0.921 0.000 -3.210) 3.339 3.091 ( 0.841 0.000 -0.020) 0.841 3.102 ( 0.094 0.000 2.065) 2.067 3.137 ( 2.766 0.000 1.789) 3.294 3.177 ( 0.860 0.000 -1.005) 1.322 3.225 ( 0.790 0.000 1.218) 1.452 3.360 ( -0.151 0.000 1.386) 1.394 3.379 ( 1.707 0.000 0.520) 1.784 3.541 ( 0.080 0.000 -1.242) 1.245 3.562 ( 0.757 0.000 0.256) 0.799 3.621 ( -0.605 0.000 1.065) 1.225 3.663 ( -0.901 0.000 3.163) 3.289 3.934 ( -5.149 0.000 0.167) 5.152 4.008 ( -0.861 0.000 -2.901) 3.026 4.229 ( 0.720 0.000 0.192) 0.745 4.234 ( 1.792 0.000 2.106) 2.765 4.650 ( 0.500 0.000 -0.807) 0.949 4.666 ( -0.343 0.000 0.694) 0.774 4.710 ( -2.428 0.000 1.043) 2.642 4.790 ( 0.582 0.000 -0.286) 0.648 4.825 ( 0.854 0.000 0.967) 1.290 4.879 ( 2.102 0.000 -0.478) 2.155 5.030 ( -2.241 0.000 -4.974) 5.456 5.114 ( 0.505 0.000 -1.960) 2.023 5.555 ( -0.177 0.000 -0.425) 0.461 5.560 ( -0.172 0.000 -0.082) 0.191 5.623 ( -0.749 0.000 0.716) 1.036 5.667 ( 0.407 0.000 1.839) 1.883 6.909 ( 2.998 0.000 -5.431) 6.203 6.976 ( 0.154 0.000 4.731) 4.734 10.539 ( -0.703 0.000 -1.113) 1.316 10.556 ( -1.756 0.000 0.633) 1.867 10.629 ( -1.590 0.000 0.616) 1.705 10.679 ( 1.601 0.000 1.383) 2.116 10.696 ( -1.204 0.000 1.410) 1.854 10.719 ( -3.919 0.000 1.140) 4.081 10.866 ( 3.980 0.000 -1.049) 4.116 10.876 ( 3.764 0.000 -2.384) 4.456 13.627 ( -0.749 0.000 -0.994) 1.244 13.686 ( 1.007 0.000 0.471) 1.112 ======================= Grid point 108 (57/66) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -2.197 0.000 2.099) 3.038 0.596 ( 1.159 0.000 -2.440) 2.701 0.817 ( -0.286 0.000 -1.030) 1.069 0.827 ( 3.529 0.000 -4.189) 5.477 0.923 ( 1.055 0.000 -0.382) 1.122 1.028 ( 6.311 0.000 -1.302) 6.444 1.065 ( 2.095 0.000 -4.020) 4.533 1.182 ( 4.574 0.000 -3.542) 5.785 1.249 ( -0.349 0.000 1.090) 1.144 1.268 ( -1.381 0.000 -2.115) 2.526 1.295 ( -6.309 0.000 -0.549) 6.333 1.310 ( 0.226 0.000 2.310) 2.321 1.373 ( 1.216 0.000 -7.660) 7.756 1.391 ( 4.361 0.000 0.798) 4.433 1.488 ( 0.686 0.000 3.423) 3.491 1.619 ( -0.569 0.000 0.649) 0.863 1.736 ( -1.960 0.000 0.248) 1.976 1.792 ( 1.622 0.000 5.492) 5.726 1.864 ( -0.110 0.000 1.344) 1.349 1.868 ( -7.543 0.000 1.126) 7.626 1.997 ( -0.074 0.000 -3.366) 3.367 2.024 ( -0.542 0.000 0.564) 0.783 2.050 ( -0.697 0.000 -1.229) 1.413 2.099 ( 0.647 0.000 0.331) 0.727 2.121 ( -0.924 0.000 -4.957) 5.042 2.189 ( -2.510 0.000 1.265) 2.811 2.241 ( 0.182 0.000 -1.493) 1.504 2.277 ( 3.164 0.000 5.964) 6.752 2.330 ( -2.931 0.000 -1.435) 3.264 2.335 ( -2.285 0.000 -2.257) 3.212 2.374 ( -2.736 0.000 -0.054) 2.737 2.434 ( 4.039 0.000 1.834) 4.437 2.467 ( 2.183 0.000 0.887) 2.356 2.493 ( 0.266 0.000 0.859) 0.899 2.546 ( 3.022 0.000 0.493) 3.062 2.599 ( -2.290 0.000 3.851) 4.480 2.657 ( 0.684 0.000 -1.395) 1.554 2.740 ( 2.464 0.000 0.271) 2.479 2.745 ( -1.398 0.000 0.909) 1.667 2.833 ( -0.139 0.000 0.506) 0.525 2.871 ( -1.447 0.000 2.047) 2.507 2.872 ( 0.138 0.000 -0.886) 0.897 2.948 ( -1.957 0.000 -3.996) 4.449 2.963 ( 4.016 0.000 1.521) 4.294 2.978 ( -1.462 0.000 -2.556) 2.944 3.108 ( -1.088 0.000 1.392) 1.767 3.131 ( 2.934 0.000 0.796) 3.040 3.188 ( 2.465 0.000 -1.119) 2.707 3.214 ( 2.802 0.000 1.111) 3.014 3.237 ( -0.194 0.000 0.434) 0.475 3.367 ( -0.562 0.000 1.412) 1.520 3.402 ( 0.388 0.000 0.098) 0.400 3.534 ( 0.786 0.000 -1.496) 1.690 3.582 ( 0.153 0.000 1.427) 1.435 3.624 ( -1.086 0.000 1.636) 1.963 3.660 ( -3.040 0.000 3.393) 4.555 3.870 ( -2.399 0.000 0.704) 2.500 3.953 ( -1.809 0.000 -3.176) 3.655 4.228 ( -0.240 0.000 -0.358) 0.431 4.271 ( 0.110 0.000 1.453) 1.458 4.662 ( 1.408 0.000 -0.591) 1.527 4.665 ( -0.785 0.000 0.609) 0.993 4.685 ( -1.287 0.000 1.232) 1.782 4.750 ( -2.651 0.000 -1.297) 2.951 4.899 ( 5.101 0.000 0.834) 5.169 4.903 ( 1.161 0.000 -0.401) 1.228 4.956 ( -1.784 0.000 -2.662) 3.204 5.092 ( 0.677 0.000 -4.254) 4.308 5.547 ( -0.165 0.000 -0.593) 0.615 5.553 ( -0.458 0.000 -0.179) 0.492 5.629 ( -0.175 0.000 1.897) 1.905 5.680 ( -0.307 0.000 0.684) 0.750 6.929 ( 4.447 0.000 -3.475) 5.643 7.014 ( -0.173 0.000 2.800) 2.805 10.515 ( -0.615 0.000 -1.519) 1.638 10.522 ( -2.295 0.000 0.303) 2.315 10.606 ( -1.647 0.000 0.754) 1.811 10.662 ( -3.586 0.000 0.510) 3.622 10.726 ( 1.698 0.000 2.617) 3.120 10.728 ( 1.657 0.000 3.177) 3.583 10.898 ( 1.600 0.000 -2.605) 3.057 10.905 ( 2.355 0.000 -2.515) 3.445 13.620 ( 0.800 0.000 -0.619) 1.011 13.693 ( -0.456 0.000 -0.020) 0.457 ======================= Grid point 109 (58/66) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -0.884 0.000 3.742) 3.845 0.594 ( 1.678 0.000 -3.641) 4.009 0.809 ( -1.674 0.000 2.457) 2.972 0.816 ( 2.239 0.000 -6.027) 6.429 1.006 ( 5.495 0.000 5.087) 7.488 1.069 ( 3.136 0.000 -2.030) 3.736 1.102 ( 3.061 0.000 -8.518) 9.051 1.167 ( -9.081 0.000 2.942) 9.545 1.227 ( -0.492 0.000 -0.625) 0.796 1.242 ( -2.185 0.000 1.294) 2.539 1.261 ( 7.276 0.000 0.093) 7.276 1.320 ( -0.235 0.000 0.012) 0.235 1.367 ( 4.506 0.000 -2.567) 5.186 1.459 ( -1.829 0.000 0.155) 1.835 1.536 ( 1.259 0.000 4.343) 4.522 1.597 ( -2.228 0.000 -0.684) 2.331 1.700 ( -1.588 0.000 0.996) 1.874 1.755 ( -2.798 0.000 -4.415) 5.227 1.826 ( 0.929 0.000 4.844) 4.932 1.910 ( -2.081 0.000 -1.517) 2.576 1.987 ( 4.125 0.000 -3.145) 5.187 2.021 ( -1.906 0.000 1.859) 2.662 2.060 ( 1.055 0.000 1.197) 1.595 2.095 ( -1.071 0.000 -1.320) 1.700 2.098 ( 2.394 0.000 4.250) 4.878 2.170 ( 0.185 0.000 0.625) 0.652 2.213 ( -2.463 0.000 -0.147) 2.467 2.229 ( -4.726 0.000 -5.222) 7.043 2.290 ( -1.290 0.000 -0.164) 1.301 2.299 ( -1.161 0.000 -1.936) 2.257 2.392 ( 1.114 0.000 3.944) 4.099 2.440 ( -0.892 0.000 -2.721) 2.864 2.528 ( 2.382 0.000 2.061) 3.150 2.538 ( 2.038 0.000 0.578) 2.118 2.594 ( 2.833 0.000 -2.452) 3.747 2.603 ( -2.349 0.000 4.324) 4.921 2.682 ( 2.424 0.000 1.882) 3.069 2.739 ( -1.407 0.000 -1.722) 2.224 2.770 ( 2.217 0.000 2.771) 3.548 2.842 ( 0.440 0.000 1.111) 1.195 2.843 ( -3.155 0.000 -0.891) 3.279 2.876 ( -1.611 0.000 -3.385) 3.749 2.883 ( 1.264 0.000 0.758) 1.474 2.923 ( -1.854 0.000 -2.157) 2.845 3.044 ( 3.706 0.000 0.642) 3.761 3.092 ( -2.184 0.000 0.636) 2.275 3.189 ( 3.030 0.000 0.397) 3.056 3.211 ( 1.109 0.000 -0.758) 1.343 3.234 ( -0.897 0.000 1.223) 1.517 3.241 ( 0.166 0.000 -0.885) 0.900 3.374 ( -0.132 0.000 1.690) 1.695 3.394 ( -0.404 0.000 -1.459) 1.514 3.543 ( 2.327 0.000 -1.935) 3.026 3.569 ( -3.228 0.000 2.453) 4.054 3.628 ( 0.338 0.000 0.384) 0.511 3.639 ( -2.005 0.000 1.666) 2.607 3.868 ( 0.537 0.000 1.136) 1.257 3.900 ( -1.489 0.000 -2.076) 2.554 4.234 ( 1.510 0.000 -0.225) 1.527 4.263 ( -1.805 0.000 0.407) 1.850 4.662 ( 0.129 0.000 0.873) 0.882 4.675 ( 0.597 0.000 -0.689) 0.912 4.687 ( -0.698 0.000 1.520) 1.673 4.698 ( -1.095 0.000 -2.155) 2.418 4.910 ( 0.260 0.000 -0.357) 0.442 4.915 ( -0.366 0.000 -1.061) 1.122 4.995 ( 3.176 0.000 2.943) 4.330 5.057 ( -0.635 0.000 -3.750) 3.804 5.542 ( 0.102 0.000 -0.401) 0.414 5.544 ( -0.442 0.000 0.014) 0.442 5.649 ( 0.221 0.000 2.172) 2.183 5.671 ( -0.384 0.000 -1.200) 1.260 6.978 ( 4.157 0.000 -1.922) 4.580 7.016 ( -2.179 0.000 1.705) 2.767 10.496 ( 0.345 0.000 -1.708) 1.743 10.497 ( -1.491 0.000 1.245) 1.942 10.596 ( 0.295 0.000 -0.082) 0.306 10.617 ( -2.334 0.000 0.341) 2.359 10.778 ( 1.551 0.000 2.219) 2.707 10.786 ( 0.961 0.000 2.754) 2.917 10.885 ( 0.173 0.000 -2.043) 2.050 10.896 ( -0.211 0.000 -2.519) 2.527 13.640 ( 1.924 0.000 -0.092) 1.926 13.673 ( -1.762 0.000 -0.190) 1.772 ======================= Grid point 113 (59/66) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -0.842 -1.571 -1.828) 2.553 0.666 ( 0.842 -1.571 1.828) 2.553 0.787 ( 3.877 0.226 -2.526) 4.633 0.787 ( -3.877 0.226 2.526) 4.633 0.969 ( 0.726 -1.033 -2.554) 2.849 0.969 ( -0.726 -1.033 2.554) 2.849 1.083 ( -2.177 3.426 -1.433) 4.305 1.083 ( 2.177 3.426 1.433) 4.305 1.234 ( 2.397 -3.001 -3.202) 5.001 1.234 ( -2.397 -3.001 3.202) 5.001 1.306 ( -4.003 -1.767 0.135) 4.377 1.306 ( 4.003 -1.767 -0.135) 4.377 1.390 ( 1.539 -3.647 -1.842) 4.366 1.390 ( -1.539 -3.647 1.842) 4.366 1.611 ( -2.238 4.658 -0.440) 5.187 1.611 ( 2.238 4.658 0.440) 5.187 1.770 ( -1.854 -0.065 -0.975) 2.096 1.770 ( 1.854 -0.065 0.975) 2.096 1.910 ( -2.582 -0.878 -3.499) 4.436 1.910 ( 2.582 -0.878 3.499) 4.436 2.016 ( -1.244 -0.449 -0.744) 1.518 2.016 ( 1.244 -0.449 0.744) 1.518 2.090 ( -0.297 1.268 -1.520) 2.002 2.090 ( 0.297 1.268 1.520) 2.002 2.143 ( -2.040 0.725 -0.976) 2.375 2.143 ( 2.040 0.725 0.976) 2.375 2.216 ( 1.133 -0.130 -1.637) 1.995 2.216 ( -1.133 -0.130 1.637) 1.995 2.347 ( -1.111 1.918 -3.058) 3.777 2.347 ( 1.111 1.918 3.058) 3.777 2.429 ( 2.206 0.139 -1.884) 2.905 2.429 ( -2.206 0.139 1.884) 2.905 2.511 ( 0.828 0.591 -0.772) 1.277 2.511 ( -0.828 0.591 0.772) 1.277 2.571 ( -2.811 0.735 -0.804) 3.014 2.571 ( 2.811 0.735 0.804) 3.014 2.652 ( 0.950 0.043 -0.975) 1.362 2.652 ( -0.950 0.043 0.975) 1.362 2.758 ( -0.508 -3.970 -0.994) 4.124 2.758 ( 0.508 -3.970 0.994) 4.124 2.841 ( -2.219 -2.003 -1.204) 3.222 2.841 ( 2.219 -2.003 1.204) 3.222 2.932 ( -2.172 -1.137 -2.625) 3.592 2.932 ( 2.172 -1.137 2.625) 3.592 3.028 ( 2.247 -2.021 -2.813) 4.129 3.028 ( -2.247 -2.021 2.813) 4.129 3.114 ( -1.227 1.126 -1.110) 2.002 3.114 ( 1.227 1.126 1.110) 2.002 3.216 ( -0.578 1.240 -1.500) 2.030 3.216 ( 0.578 1.240 1.500) 2.030 3.392 ( 0.385 2.428 -0.949) 2.635 3.392 ( -0.385 2.428 0.949) 2.635 3.526 ( -0.789 -1.173 -1.093) 1.787 3.526 ( 0.789 -1.173 1.093) 1.787 3.721 ( 0.408 6.521 -1.993) 6.831 3.721 ( -0.408 6.521 1.993) 6.831 3.975 ( 0.691 -3.199 -0.860) 3.384 3.975 ( -0.691 -3.199 0.860) 3.384 4.200 ( 0.535 -0.713 -0.430) 0.989 4.200 ( -0.535 -0.713 0.430) 0.989 4.653 ( -0.347 -0.467 -0.473) 0.750 4.653 ( 0.347 -0.467 0.473) 0.750 4.759 ( -2.386 1.024 0.359) 2.621 4.759 ( 2.386 1.024 -0.359) 2.621 4.848 ( -2.141 0.148 0.584) 2.224 4.848 ( 2.141 0.148 -0.584) 2.224 5.083 ( -1.137 -1.276 -1.764) 2.456 5.083 ( 1.137 -1.276 1.764) 2.456 5.558 ( -0.024 -0.165 -0.109) 0.199 5.558 ( 0.024 -0.165 0.109) 0.199 5.636 ( -0.624 -0.296 -0.568) 0.894 5.636 ( 0.624 -0.296 0.568) 0.894 6.929 ( 0.732 -0.169 -4.254) 4.320 6.929 ( -0.732 -0.169 4.254) 4.320 10.578 ( -0.493 1.830 -1.402) 2.357 10.578 ( 0.493 1.830 1.402) 2.357 10.643 ( -0.874 -0.617 -0.468) 1.168 10.643 ( 0.874 -0.617 0.468) 1.168 10.734 ( -1.575 -0.019 -0.380) 1.620 10.734 ( 1.575 -0.019 0.380) 1.620 10.833 ( 1.655 -0.326 -0.918) 1.921 10.833 ( -1.655 -0.326 0.918) 1.921 13.656 ( -1.091 -0.057 -0.652) 1.272 13.656 ( 1.091 -0.057 0.652) 1.272 ======================= Grid point 115 (60/66) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -2.080 0.339 -0.922) 2.300 0.649 ( -3.652 1.689 0.678) 4.081 0.761 ( 0.780 -0.622 0.465) 1.101 0.838 ( 2.175 -1.948 -2.206) 3.660 0.943 ( 0.954 1.735 -4.901) 5.286 1.015 ( 3.312 -0.666 -0.824) 3.477 1.035 ( 0.175 1.112 -1.825) 2.144 1.138 ( 1.618 -0.180 0.347) 1.664 1.193 ( -3.622 -2.880 2.973) 5.500 1.201 ( -1.162 -3.414 -1.236) 3.812 1.288 ( 1.255 -1.377 0.307) 1.888 1.338 ( 1.473 -1.933 -4.516) 5.128 1.387 ( -0.676 -2.045 1.607) 2.687 1.414 ( 1.962 -2.743 -3.753) 5.046 1.541 ( -1.639 5.439 -4.318) 7.135 1.616 ( 0.794 2.259 -0.081) 2.395 1.755 ( -0.539 2.134 4.956) 5.423 1.791 ( -1.441 3.059 0.061) 3.382 1.883 ( -2.204 -1.867 2.901) 4.094 1.965 ( -1.087 -0.582 2.451) 2.743 1.997 ( 0.044 -0.659 -1.557) 1.692 2.044 ( 1.107 -3.472 -3.570) 5.102 2.070 ( 1.641 1.657 0.408) 2.368 2.101 ( -0.788 1.438 0.018) 1.640 2.109 ( -0.098 3.369 -0.669) 3.436 2.161 ( -0.529 -2.675 0.244) 2.738 2.223 ( 1.492 -1.072 -1.483) 2.361 2.240 ( 0.571 -0.624 1.278) 1.532 2.317 ( 1.346 2.046 -0.362) 2.476 2.374 ( -1.357 0.202 1.619) 2.122 2.403 ( -2.598 0.613 2.337) 3.548 2.432 ( -0.532 -0.393 -1.874) 1.987 2.487 ( -1.715 3.479 0.926) 3.988 2.497 ( -0.382 0.195 -0.032) 0.431 2.538 ( -1.150 2.054 0.182) 2.361 2.625 ( 0.629 -1.449 0.645) 1.706 2.643 ( 1.674 0.895 0.565) 1.981 2.680 ( 1.883 0.399 -0.727) 2.058 2.747 ( -0.615 -2.957 -0.198) 3.027 2.791 ( 0.188 -5.060 2.263) 5.546 2.808 ( 0.137 -1.465 0.022) 1.472 2.876 ( 0.035 -1.890 -0.771) 2.042 2.909 ( 2.644 1.119 0.356) 2.893 2.998 ( 1.612 0.007 0.824) 1.811 3.003 ( -0.851 -3.121 1.216) 3.456 3.040 ( 1.847 -1.066 -2.407) 3.216 3.085 ( -1.033 -0.605 -0.336) 1.244 3.138 ( 0.661 -0.310 0.814) 1.093 3.209 ( 0.372 2.620 1.319) 2.956 3.251 ( 1.138 0.943 0.936) 1.750 3.388 ( -0.254 1.989 0.543) 2.077 3.413 ( 1.070 2.241 0.917) 2.647 3.505 ( -0.725 -1.307 -0.303) 1.525 3.550 ( 0.598 -1.234 1.057) 1.731 3.707 ( -0.118 6.405 -1.269) 6.531 3.725 ( -1.791 5.195 2.637) 6.095 3.919 ( -3.858 -1.465 0.383) 4.144 3.977 ( -0.444 -3.106 -2.585) 4.065 4.216 ( 0.544 -1.014 0.575) 1.286 4.223 ( 1.405 -0.981 1.786) 2.475 4.646 ( 0.248 -0.229 -0.319) 0.465 4.658 ( -0.175 -0.639 0.520) 0.842 4.727 ( -2.208 1.398 0.580) 2.677 4.781 ( -0.879 -0.886 -0.050) 1.249 4.838 ( 1.452 1.295 0.655) 2.053 4.881 ( 2.252 -0.046 -0.290) 2.271 5.028 ( -1.438 0.173 -4.604) 4.827 5.093 ( 0.733 -1.945 -2.497) 3.249 5.555 ( -0.077 -0.020 -0.332) 0.341 5.558 ( -0.062 -0.135 -0.106) 0.182 5.626 ( -0.579 0.247 0.692) 0.936 5.653 ( 0.229 -1.109 1.342) 1.756 6.917 ( 2.576 0.856 -3.773) 4.648 6.965 ( 0.608 -1.039 3.347) 3.557 10.546 ( -1.227 1.031 -0.974) 1.875 10.579 ( -1.757 1.440 -0.541) 2.335 10.637 ( -0.599 0.149 1.271) 1.413 10.667 ( 1.257 0.051 1.139) 1.697 10.705 ( -1.914 0.263 1.679) 2.560 10.730 ( -1.732 0.811 0.459) 1.967 10.850 ( 2.890 -1.279 -0.843) 3.271 10.864 ( 2.813 -1.076 -1.644) 3.431 13.635 ( -0.475 0.782 -0.780) 1.202 13.677 ( 0.767 -0.872 0.256) 1.189 ======================= Grid point 116 (61/66) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.665 1.546 2.249) 4.569 0.618 ( -0.271 0.979 -2.984) 3.152 0.743 ( -0.455 -1.624 -1.073) 1.999 0.874 ( 2.968 -4.482 -3.811) 6.590 0.925 ( 2.394 2.885 -2.439) 4.472 1.013 ( 0.952 -2.175 -5.377) 5.877 1.052 ( 2.141 1.117 3.041) 3.883 1.140 ( -1.371 -4.855 0.577) 5.078 1.179 ( -1.241 -4.542 2.383) 5.277 1.238 ( 4.799 3.376 -1.705) 6.110 1.280 ( -1.653 -2.001 -6.049) 6.583 1.346 ( 2.292 -1.101 -0.654) 2.625 1.373 ( 2.489 0.260 1.034) 2.708 1.392 ( 0.747 -0.689 -3.536) 3.679 1.543 ( 1.760 4.934 2.303) 5.722 1.652 ( 0.689 1.728 2.672) 3.256 1.750 ( -1.720 2.027 -0.525) 2.710 1.797 ( -3.298 0.652 1.485) 3.675 1.884 ( 0.466 1.868 6.091) 6.388 1.902 ( -5.452 1.819 -0.042) 5.748 1.973 ( 0.940 -1.437 -4.283) 4.614 2.005 ( -0.612 -2.196 -1.640) 2.809 2.070 ( -1.213 -0.685 -2.135) 2.550 2.108 ( 0.900 2.966 -0.542) 3.146 2.133 ( 0.337 -1.159 0.982) 1.556 2.159 ( -0.711 -0.133 0.090) 0.729 2.212 ( -1.458 -2.558 -0.334) 2.963 2.246 ( 0.223 -1.234 0.592) 1.387 2.321 ( -1.527 -0.335 -1.064) 1.891 2.355 ( -3.519 -0.339 -1.262) 3.753 2.391 ( 0.133 1.886 0.898) 2.093 2.422 ( 1.373 -0.525 2.888) 3.241 2.493 ( 1.271 1.278 0.870) 2.002 2.508 ( 0.254 2.482 0.848) 2.636 2.545 ( 1.861 0.737 0.973) 2.226 2.630 ( 0.128 0.507 1.188) 1.298 2.673 ( 2.117 0.956 -1.538) 2.786 2.702 ( 0.873 -2.011 -0.193) 2.201 2.733 ( -0.467 -2.287 0.254) 2.348 2.792 ( -0.583 -0.874 0.786) 1.312 2.834 ( -0.511 -3.070 2.198) 3.810 2.870 ( 0.002 -0.872 -0.406) 0.962 2.960 ( 0.274 -0.146 -1.190) 1.230 2.991 ( 2.409 1.861 2.073) 3.683 3.007 ( -0.276 3.630 -2.722) 4.546 3.074 ( 1.942 -1.992 0.995) 2.955 3.088 ( 1.707 -4.044 -0.200) 4.394 3.159 ( 1.002 -1.808 0.893) 2.252 3.236 ( 0.725 1.923 1.394) 2.483 3.263 ( -0.183 0.866 0.085) 0.890 3.386 ( -0.674 1.750 0.719) 2.008 3.429 ( -0.170 2.336 0.483) 2.391 3.498 ( 0.048 -2.162 -0.028) 2.162 3.555 ( -1.708 -2.376 1.290) 3.198 3.693 ( -0.444 5.414 -0.443) 5.450 3.716 ( -2.076 4.239 2.647) 5.412 3.876 ( -1.763 0.281 0.666) 1.905 3.933 ( -1.164 -2.015 -2.967) 3.771 4.217 ( -0.279 -0.678 0.058) 0.736 4.253 ( 0.009 -1.601 1.339) 2.087 4.654 ( 0.477 -0.232 0.215) 0.573 4.665 ( 0.325 -0.391 0.880) 1.016 4.697 ( -1.495 1.069 0.068) 1.839 4.741 ( -2.376 -0.802 -1.195) 2.778 4.885 ( 1.885 0.024 0.856) 2.070 4.920 ( 2.053 -0.403 1.406) 2.520 4.971 ( 0.290 2.156 -4.410) 4.917 5.073 ( 1.093 -1.829 -4.470) 4.952 5.550 ( -0.054 0.241 -0.448) 0.511 5.555 ( -0.202 0.107 -0.168) 0.284 5.630 ( -0.262 0.172 1.591) 1.621 5.663 ( -0.172 -1.384 0.644) 1.537 6.942 ( 3.700 1.159 -2.417) 4.569 7.001 ( 0.444 -1.197 1.997) 2.370 10.522 ( -0.410 0.973 -1.314) 1.685 10.540 ( -2.014 1.140 -0.169) 2.321 10.620 ( -2.137 1.279 1.375) 2.845 10.673 ( -2.926 0.239 0.402) 2.963 10.716 ( 2.432 0.035 1.831) 3.045 10.742 ( 1.251 1.076 2.178) 2.733 10.874 ( 1.326 -2.175 -2.325) 3.449 10.884 ( 1.298 -1.857 -1.488) 2.710 13.630 ( 0.632 1.011 -0.535) 1.307 13.682 ( -0.257 -1.057 -0.111) 1.093 ======================= Grid point 117 (62/66) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -1.310 -1.064 2.277) 2.834 0.577 ( -0.752 -1.360 -3.013) 3.390 0.775 ( 3.088 -1.354 1.858) 3.850 0.839 ( -0.510 -0.903 -4.890) 4.999 0.982 ( 3.074 -1.847 1.435) 3.863 1.004 ( 2.743 -4.419 1.004) 5.297 1.060 ( -5.132 -4.889 -1.476) 7.240 1.099 ( -1.129 -1.060 -5.461) 5.676 1.203 ( 1.844 -1.125 3.156) 3.825 1.246 ( -0.585 -0.699 2.758) 2.904 1.301 ( 3.450 1.446 -1.110) 3.903 1.341 ( 1.056 0.723 -4.680) 4.851 1.392 ( 3.141 2.285 1.560) 4.186 1.457 ( 1.311 0.183 -0.003) 1.324 1.594 ( 1.095 4.508 2.578) 5.307 1.640 ( -2.792 3.429 -0.181) 4.426 1.709 ( -3.506 0.439 0.517) 3.572 1.732 ( -1.962 -1.172 -1.641) 2.814 1.864 ( 0.534 2.675 3.123) 4.146 1.925 ( -1.175 0.850 -3.279) 3.585 1.980 ( 4.420 -0.550 0.006) 4.455 2.031 ( -0.028 0.078 3.472) 3.473 2.056 ( 1.828 -1.179 0.033) 2.176 2.092 ( -1.496 1.352 -0.373) 2.051 2.110 ( -2.297 0.186 0.846) 2.454 2.154 ( 0.840 -0.464 -1.032) 1.409 2.187 ( -2.096 -1.911 -1.139) 3.056 2.203 ( -2.556 -1.778 -1.873) 3.633 2.290 ( -1.211 0.144 0.197) 1.236 2.298 ( -1.023 -0.055 -2.019) 2.264 2.406 ( -0.034 0.845 2.361) 2.508 2.435 ( -0.826 -0.673 -1.689) 1.997 2.529 ( 0.769 0.596 2.853) 3.014 2.537 ( 1.617 1.299 -0.103) 2.077 2.613 ( 4.049 -0.291 0.812) 4.140 2.646 ( -0.376 0.032 1.274) 1.328 2.694 ( 1.521 1.616 -0.742) 2.340 2.699 ( 0.013 -0.510 -0.430) 0.668 2.754 ( 1.383 -3.274 1.715) 3.946 2.782 ( -1.385 0.071 0.542) 1.489 2.821 ( -1.435 -2.288 0.135) 2.704 2.843 ( -1.774 -1.181 -2.198) 3.062 2.955 ( 0.310 3.174 0.870) 3.306 2.977 ( -0.548 4.024 -1.874) 4.472 3.057 ( 2.431 0.862 1.153) 2.825 3.086 ( -0.299 -0.890 -0.575) 1.101 3.137 ( 2.954 -3.993 1.055) 5.078 3.176 ( -0.300 -3.440 -0.089) 3.455 3.245 ( 0.339 0.997 -0.647) 1.236 3.254 ( -1.192 1.120 0.903) 1.869 3.390 ( 0.262 1.747 1.204) 2.138 3.415 ( -1.122 2.012 -0.942) 2.489 3.504 ( 1.092 -2.744 -0.494) 2.994 3.527 ( -2.521 -2.845 1.145) 3.970 3.691 ( 0.684 4.585 -0.263) 4.643 3.705 ( -1.690 4.290 1.415) 4.823 3.871 ( 0.163 0.133 0.804) 0.831 3.893 ( -0.904 -0.780 -1.835) 2.189 4.224 ( 1.146 -0.753 0.013) 1.371 4.247 ( -1.465 -1.414 0.348) 2.066 4.664 ( 0.290 0.218 0.946) 1.014 4.676 ( 0.262 -0.045 -0.200) 0.332 4.685 ( -0.552 -0.011 0.747) 0.929 4.696 ( -0.992 -0.231 -1.858) 2.119 4.908 ( 0.401 0.305 1.023) 1.140 4.926 ( -0.614 0.336 -1.108) 1.310 4.997 ( 2.853 0.452 1.326) 3.178 5.045 ( -0.151 -1.127 -3.575) 3.752 5.547 ( 0.107 0.466 -0.245) 0.537 5.549 ( -0.253 0.416 -0.049) 0.489 5.645 ( 0.055 -0.348 1.710) 1.746 5.659 ( -0.196 -0.991 -0.802) 1.290 6.983 ( 3.180 0.479 -1.346) 3.486 7.010 ( -1.299 -0.573 1.206) 1.862 10.510 ( 0.405 1.358 -1.143) 1.821 10.515 ( -1.266 1.392 0.613) 1.978 10.610 ( -0.168 1.181 0.910) 1.500 10.632 ( -1.840 0.853 -0.511) 2.091 10.770 ( 1.952 -0.344 1.566) 2.525 10.785 ( 0.479 0.264 2.245) 2.310 10.860 ( 0.204 -2.316 -1.825) 2.955 10.873 ( -0.566 -2.084 -1.756) 2.783 13.645 ( 1.389 0.448 -0.108) 1.463 13.668 ( -1.218 -0.473 -0.178) 1.319 ======================= Grid point 121 (63/66) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 0.000 0.000 0.000) 0.000 0.646 ( 0.000 0.000 0.000) 0.000 0.791 ( -0.000 -0.000 0.000) 0.000 0.791 ( -0.000 0.000 0.000) 0.000 0.955 ( 0.000 0.000 0.000) 0.000 0.955 ( 0.000 0.000 0.000) 0.000 1.137 ( -0.000 -0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.291 ( -0.000 0.000 0.000) 0.000 1.291 ( -0.000 0.000 0.000) 0.000 1.335 ( -0.000 -0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 -0.000 0.000) 0.000 1.773 ( -0.000 0.000 0.000) 0.000 1.907 ( -0.000 -0.000 0.000) 0.000 1.907 ( -0.000 0.000 0.000) 0.000 1.977 ( 0.000 -0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.119 ( -0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.375 ( -0.000 -0.000 0.000) 0.000 2.375 ( -0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.506 ( -0.000 -0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.600 ( -0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.704 ( -0.000 -0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.816 ( -0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.916 ( -0.000 0.000 0.000) 0.000 3.011 ( -0.000 0.000 0.000) 0.000 3.011 ( -0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.230 ( -0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.516 ( -0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.825 ( -0.000 -0.000 0.000) 0.000 3.825 ( -0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.190 ( -0.000 0.000 0.000) 0.000 4.190 ( -0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.648 ( -0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 -0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 10.617 ( -0.000 -0.000 0.000) 0.000 10.617 ( 0.000 -0.000 0.000) 0.000 10.619 ( -0.000 0.000 -0.000) 0.000 10.619 ( 0.000 0.000 -0.000) 0.000 10.735 ( -0.000 0.000 0.000) 0.000 10.735 ( -0.000 0.000 0.000) 0.000 10.828 ( -0.000 0.000 0.000) 0.000 10.828 ( -0.000 0.000 0.000) 0.000 13.656 ( 0.000 0.000 0.000) 0.000 13.656 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 125 (64/66) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.331 -1.540 -0.010) 1.575 0.649 ( -0.331 1.540 -0.010) 1.575 0.784 ( -0.921 -2.858 0.150) 3.007 0.784 ( -0.921 2.858 0.150) 3.007 0.991 ( 4.814 -1.763 -3.742) 6.347 0.991 ( 4.814 1.763 -3.742) 6.347 1.070 ( -4.933 -3.444 -0.407) 6.030 1.070 ( -4.933 3.444 -0.407) 6.030 1.178 ( -1.040 -1.060 1.914) 2.423 1.178 ( -1.040 1.060 1.914) 2.423 1.302 ( 2.385 -2.211 -2.082) 3.861 1.302 ( 2.385 2.211 -2.082) 3.861 1.364 ( 1.959 -1.081 -1.746) 2.838 1.364 ( 1.959 1.081 -1.746) 2.838 1.622 ( -2.093 -2.056 -1.125) 3.142 1.622 ( -2.093 2.056 -1.125) 3.142 1.812 ( 1.054 -2.829 3.295) 4.469 1.812 ( 1.054 2.829 3.295) 4.469 1.901 ( -1.671 -4.681 2.298) 5.476 1.901 ( -1.671 4.681 2.298) 5.476 1.990 ( 2.161 -0.868 -4.024) 4.649 1.990 ( 2.161 0.868 -4.024) 4.649 2.108 ( -1.217 -0.903 -0.398) 1.567 2.108 ( -1.217 0.903 -0.398) 1.567 2.137 ( -0.455 -0.184 -0.648) 0.813 2.137 ( -0.455 0.184 -0.648) 0.813 2.231 ( 0.774 -1.243 -0.422) 1.524 2.231 ( 0.774 1.243 -0.422) 1.524 2.361 ( -1.462 -1.977 1.151) 2.715 2.361 ( -1.462 1.977 1.151) 2.715 2.411 ( -1.994 -0.720 0.255) 2.135 2.411 ( -1.994 0.720 0.255) 2.135 2.522 ( 0.513 -1.519 1.130) 1.961 2.522 ( 0.513 1.519 1.130) 1.961 2.585 ( -0.603 -2.568 1.110) 2.862 2.585 ( -0.603 2.568 1.110) 2.862 2.668 ( 0.605 -1.650 -0.574) 1.849 2.668 ( 0.605 1.650 -0.574) 1.849 2.716 ( 1.599 -1.724 0.311) 2.372 2.716 ( 1.599 1.724 0.311) 2.372 2.816 ( 0.756 -2.512 -0.434) 2.659 2.816 ( 0.756 2.512 -0.434) 2.659 2.948 ( 2.589 -2.453 1.522) 3.878 2.948 ( 2.589 2.453 1.522) 3.878 3.009 ( -0.117 -1.198 0.084) 1.207 3.009 ( -0.117 1.198 0.084) 1.207 3.114 ( -0.675 -1.985 -0.435) 2.141 3.114 ( -0.675 1.985 -0.435) 2.141 3.249 ( 0.866 -1.164 1.177) 1.868 3.249 ( 0.866 1.164 1.177) 1.868 3.421 ( 0.115 -1.177 0.746) 1.399 3.421 ( 0.115 1.177 0.746) 1.399 3.518 ( -0.444 -1.921 0.462) 2.025 3.518 ( -0.444 1.921 0.462) 2.025 3.803 ( -2.101 -0.812 0.035) 2.253 3.803 ( -2.101 0.812 0.035) 2.253 3.903 ( -0.436 -2.345 -0.802) 2.517 3.903 ( -0.436 2.345 -0.802) 2.517 4.206 ( 0.683 -0.307 1.217) 1.429 4.206 ( 0.683 0.307 1.217) 1.429 4.647 ( 0.023 -0.370 0.185) 0.414 4.647 ( 0.023 0.370 0.185) 0.414 4.757 ( -1.854 -1.486 0.178) 2.382 4.757 ( -1.854 1.486 0.178) 2.382 4.867 ( 1.682 -1.327 0.139) 2.147 4.867 ( 1.682 1.327 0.139) 2.147 5.050 ( 0.369 -1.994 -3.604) 4.135 5.050 ( 0.369 1.994 -3.604) 4.135 5.556 ( 0.058 -0.090 -0.190) 0.218 5.556 ( 0.058 0.090 -0.190) 0.218 5.634 ( -0.223 -0.661 0.796) 1.059 5.634 ( -0.223 0.661 0.796) 1.059 6.940 ( 1.603 -1.347 -0.078) 2.095 6.940 ( 1.603 1.347 -0.078) 2.095 10.575 ( -1.728 -1.513 -1.097) 2.545 10.575 ( -1.728 1.513 -1.097) 2.545 10.656 ( 0.657 -1.577 1.342) 2.173 10.656 ( 0.657 1.577 1.342) 2.173 10.725 ( -0.736 -1.455 0.627) 1.747 10.725 ( -0.736 1.455 0.627) 1.747 10.842 ( 1.469 -0.779 -0.659) 1.789 10.842 ( 1.469 0.779 -0.659) 1.789 13.656 ( 0.164 -1.170 -0.263) 1.211 13.656 ( 0.164 1.170 -0.263) 1.211 ======================= Grid point 127 (65/66) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -3.856 -1.516 0.411) 4.163 0.617 ( -3.856 1.516 0.411) 4.163 0.770 ( 1.078 -4.364 -2.145) 4.981 0.770 ( 1.078 4.364 -2.145) 4.981 0.957 ( -0.521 -2.511 -5.107) 5.715 0.957 ( -0.521 2.511 -5.107) 5.715 1.088 ( 1.873 -2.232 4.886) 5.689 1.088 ( 1.873 2.232 4.886) 5.689 1.182 ( -0.898 -4.607 -2.870) 5.501 1.182 ( -0.898 4.607 -2.870) 5.501 1.327 ( 4.231 -3.419 -2.031) 5.807 1.327 ( 4.231 3.419 -2.031) 5.807 1.365 ( 1.760 -1.437 -1.246) 2.591 1.365 ( 1.760 1.437 -1.246) 2.591 1.634 ( 1.156 -3.377 3.416) 4.940 1.634 ( 1.156 3.377 3.416) 4.940 1.804 ( -2.965 -1.542 -1.939) 3.863 1.804 ( -2.965 1.542 -1.939) 3.863 1.906 ( -1.583 -0.655 4.150) 4.490 1.906 ( -1.583 0.655 4.150) 4.490 1.965 ( 0.004 -1.230 -3.336) 3.555 1.965 ( 0.004 1.230 -3.336) 3.555 2.084 ( -0.207 -2.139 -0.450) 2.196 2.084 ( -0.207 2.139 -0.450) 2.196 2.148 ( 0.947 -1.740 0.918) 2.183 2.148 ( 0.947 1.740 0.918) 2.183 2.221 ( -1.634 -2.299 -1.789) 3.340 2.221 ( -1.634 2.299 -1.789) 3.340 2.333 ( -2.176 -1.295 -1.057) 2.744 2.333 ( -2.176 1.295 -1.057) 2.744 2.412 ( 0.490 -0.713 2.530) 2.674 2.412 ( 0.490 0.713 2.530) 2.674 2.527 ( -0.309 -1.717 0.876) 1.952 2.527 ( -0.309 1.717 0.876) 1.952 2.597 ( 0.640 -3.761 0.468) 3.844 2.597 ( 0.640 3.761 0.468) 3.844 2.665 ( 0.596 -2.161 -0.698) 2.348 2.665 ( 0.596 2.161 -0.698) 2.348 2.750 ( 2.266 -3.534 -0.306) 4.210 2.750 ( 2.266 3.534 -0.306) 4.210 2.830 ( -0.284 -1.909 1.450) 2.414 2.830 ( -0.284 1.909 1.450) 2.414 2.997 ( 1.263 -3.003 0.434) 3.287 2.997 ( 1.263 3.003 0.434) 3.287 3.029 ( 2.151 -1.185 1.171) 2.721 3.029 ( 2.151 1.185 1.171) 2.721 3.102 ( -0.004 -3.572 -0.656) 3.631 3.102 ( -0.004 3.572 -0.656) 3.631 3.264 ( -0.337 -0.730 1.091) 1.356 3.264 ( -0.337 0.730 1.091) 1.356 3.434 ( 0.341 -2.522 0.784) 2.663 3.434 ( 0.341 2.522 0.784) 2.663 3.500 ( -2.114 -2.792 0.385) 3.523 3.500 ( -2.114 2.792 0.385) 3.523 3.772 ( -1.896 -0.447 0.565) 2.028 3.772 ( -1.896 0.447 0.565) 2.028 3.885 ( -0.307 -1.701 -1.234) 2.124 3.885 ( -0.307 1.701 -1.234) 2.124 4.221 ( -0.206 -1.191 0.887) 1.499 4.221 ( -0.206 1.191 0.887) 1.499 4.656 ( 0.454 -0.378 0.759) 0.962 4.656 ( 0.454 0.378 0.759) 0.962 4.721 ( -1.891 -1.208 -0.731) 2.361 4.721 ( -1.891 1.208 -0.731) 2.361 4.899 ( 1.131 -1.210 1.225) 2.060 4.899 ( 1.131 1.210 1.225) 2.060 5.025 ( 1.634 -2.842 -4.633) 5.675 5.025 ( 1.634 2.842 -4.633) 5.675 5.555 ( 0.081 -0.144 -0.240) 0.291 5.555 ( 0.081 0.144 -0.240) 0.291 5.639 ( -0.244 -0.854 0.973) 1.317 5.639 ( -0.244 0.854 0.973) 1.317 6.971 ( 2.007 -1.676 -0.086) 2.617 6.971 ( 2.007 1.676 -0.086) 2.617 10.545 ( -0.823 -0.863 -0.822) 1.448 10.545 ( -0.823 0.863 -0.822) 1.448 10.651 ( -2.355 -1.871 1.642) 3.427 10.651 ( -2.355 1.871 1.642) 3.427 10.745 ( 2.414 -1.705 -0.051) 2.955 10.745 ( 2.414 1.705 -0.051) 2.955 10.850 ( 0.012 -0.760 -0.645) 0.997 10.850 ( 0.012 0.760 -0.645) 0.997 13.656 ( 0.203 -1.463 -0.327) 1.512 13.656 ( 0.203 1.463 -0.327) 1.512 ======================= Grid point 129 (66/66) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -2.362 -0.786 -0.371) 2.517 0.556 ( -2.362 0.786 -0.371) 2.517 0.783 ( 1.065 -2.661 -0.438) 2.899 0.783 ( 1.065 2.661 -0.438) 2.899 0.947 ( 2.377 -0.201 0.653) 2.473 0.947 ( 2.377 0.201 0.653) 2.473 1.060 ( -3.825 -2.418 -5.402) 7.047 1.060 ( -3.825 2.418 -5.402) 7.047 1.214 ( 2.897 -1.934 6.186) 7.099 1.214 ( 2.897 1.934 6.186) 7.099 1.325 ( -0.232 -1.655 -4.918) 5.194 1.325 ( -0.232 1.655 -4.918) 5.194 1.445 ( 4.482 -1.949 1.327) 5.064 1.445 ( 4.482 1.949 1.327) 5.064 1.667 ( -0.296 -2.204 2.009) 2.997 1.667 ( -0.296 2.204 2.009) 2.997 1.717 ( -4.152 -1.357 -1.617) 4.657 1.717 ( -4.152 1.357 -1.617) 4.657 1.913 ( 0.179 -2.036 -0.251) 2.059 1.913 ( 0.179 2.036 -0.251) 2.059 1.990 ( 3.564 -2.095 3.096) 5.165 1.990 ( 3.564 2.095 3.096) 5.165 2.083 ( -0.014 -2.104 0.000) 2.104 2.083 ( -0.014 2.104 0.000) 2.104 2.123 ( -4.074 -1.775 -3.251) 5.506 2.123 ( -4.074 1.775 -3.251) 5.506 2.188 ( 0.315 -0.729 0.160) 0.810 2.188 ( 0.315 0.729 0.160) 0.810 2.295 ( -0.981 -0.281 -0.661) 1.215 2.295 ( -0.981 0.281 -0.661) 1.215 2.417 ( -0.946 -0.680 0.160) 1.177 2.417 ( -0.946 0.680 0.160) 1.177 2.556 ( 0.981 -1.097 1.919) 2.418 2.556 ( 0.981 1.097 1.919) 2.418 2.608 ( 0.368 -1.750 -0.116) 1.792 2.608 ( 0.368 1.750 -0.116) 1.792 2.691 ( 2.931 -1.476 0.313) 3.297 2.691 ( 2.931 1.476 0.313) 3.297 2.761 ( -0.838 -2.530 -1.378) 3.001 2.761 ( -0.838 2.530 -1.378) 3.001 2.829 ( -0.779 -1.079 1.164) 1.768 2.829 ( -0.779 1.079 1.164) 1.768 3.020 ( 1.442 -3.626 0.222) 3.908 3.020 ( 1.442 3.626 0.222) 3.908 3.050 ( -0.690 -2.300 0.042) 2.402 3.050 ( -0.690 2.300 0.042) 2.402 3.111 ( 1.127 -1.706 -0.005) 2.045 3.111 ( 1.127 1.706 -0.005) 2.045 3.263 ( -0.501 -0.295 0.563) 0.809 3.263 ( -0.501 0.295 0.563) 0.809 3.442 ( 0.069 -3.003 0.208) 3.011 3.442 ( 0.069 3.003 0.208) 3.011 3.469 ( -1.426 -2.751 0.104) 3.100 3.469 ( -1.426 2.751 0.104) 3.100 3.754 ( -0.667 -0.502 0.297) 0.886 3.754 ( -0.667 0.502 0.297) 0.886 3.874 ( -0.033 -0.615 -0.559) 0.832 3.874 ( -0.033 0.615 -0.559) 0.832 4.221 ( -0.211 -0.757 0.278) 0.833 4.221 ( -0.211 0.757 0.278) 0.833 4.670 ( 0.244 -0.418 0.909) 1.030 4.670 ( 0.244 0.418 0.909) 1.030 4.690 ( -0.703 -0.365 -1.034) 1.302 4.690 ( -0.703 0.365 -1.034) 1.302 4.920 ( 0.073 -0.729 1.021) 1.257 4.920 ( 0.073 0.729 1.021) 1.257 5.018 ( 1.192 -1.461 -2.252) 2.937 5.018 ( 1.192 1.461 -2.252) 2.937 5.554 ( 0.045 -0.084 -0.101) 0.139 5.554 ( 0.045 0.084 -0.101) 0.139 5.643 ( -0.085 -0.391 0.424) 0.583 5.643 ( -0.085 0.391 0.424) 0.583 6.996 ( 0.892 -0.747 -0.032) 1.164 6.996 ( 0.892 0.747 -0.032) 1.164 10.532 ( -0.172 -0.264 -0.258) 0.408 10.532 ( -0.172 0.264 -0.258) 0.408 10.630 ( -1.068 -0.820 0.498) 1.436 10.630 ( -1.068 0.820 0.498) 1.436 10.787 ( 2.143 -1.536 0.532) 2.690 10.787 ( 2.143 1.536 0.532) 2.690 10.830 ( -1.345 -1.258 -0.777) 1.999 10.830 ( -1.345 1.258 -0.777) 1.999 13.656 ( 0.090 -0.652 -0.146) 0.674 13.656 ( 0.090 0.652 -0.146) 0.674 =================== 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 3/14112 10.0 13.308 6.729 12.344 0.000 1.714 0.000 3/14112 20.0 3.573 1.979 3.921 0.000 0.561 0.000 3/14112 30.0 1.670 0.969 1.904 0.000 0.287 0.000 3/14112 40.0 1.031 0.617 1.194 0.000 0.185 0.000 3/14112 50.0 0.738 0.452 0.862 0.000 0.134 0.000 3/14112 60.0 0.576 0.359 0.677 0.000 0.105 0.000 3/14112 70.0 0.474 0.299 0.559 0.000 0.086 0.000 3/14112 80.0 0.404 0.258 0.478 0.000 0.073 0.000 3/14112 90.0 0.353 0.228 0.418 0.000 0.064 0.000 3/14112 100.0 0.315 0.205 0.373 0.000 0.056 0.000 3/14112 110.0 0.284 0.187 0.337 0.000 0.050 0.000 3/14112 120.0 0.259 0.172 0.308 0.000 0.046 0.000 3/14112 130.0 0.239 0.160 0.284 0.000 0.042 0.000 3/14112 140.0 0.222 0.149 0.263 0.000 0.038 0.000 3/14112 150.0 0.207 0.140 0.245 0.000 0.036 0.000 3/14112 160.0 0.194 0.133 0.230 0.000 0.033 0.000 3/14112 170.0 0.183 0.126 0.217 0.000 0.031 0.000 3/14112 180.0 0.173 0.119 0.205 0.000 0.029 0.000 3/14112 190.0 0.165 0.114 0.194 0.000 0.028 0.000 3/14112 200.0 0.157 0.109 0.185 0.000 0.026 0.000 3/14112 210.0 0.150 0.104 0.176 0.000 0.025 0.000 3/14112 220.0 0.143 0.100 0.168 0.000 0.024 0.000 3/14112 230.0 0.137 0.096 0.161 0.000 0.023 0.000 3/14112 240.0 0.132 0.093 0.154 0.000 0.022 0.000 3/14112 250.0 0.127 0.090 0.148 0.000 0.021 0.000 3/14112 260.0 0.122 0.087 0.143 0.000 0.020 0.000 3/14112 270.0 0.118 0.084 0.138 0.000 0.019 0.000 3/14112 280.0 0.114 0.081 0.133 0.000 0.019 0.000 3/14112 290.0 0.110 0.079 0.129 0.000 0.018 0.000 3/14112 300.0 0.107 0.076 0.124 0.000 0.017 0.000 3/14112 310.0 0.103 0.074 0.120 0.000 0.017 0.000 3/14112 320.0 0.100 0.072 0.117 0.000 0.016 0.000 3/14112 330.0 0.098 0.070 0.113 0.000 0.016 0.000 3/14112 340.0 0.095 0.069 0.110 0.000 0.015 0.000 3/14112 350.0 0.092 0.067 0.107 0.000 0.015 0.000 3/14112 360.0 0.090 0.065 0.104 0.000 0.014 0.000 3/14112 370.0 0.088 0.064 0.102 0.000 0.014 0.000 3/14112 380.0 0.085 0.062 0.099 0.000 0.014 0.000 3/14112 390.0 0.083 0.061 0.096 0.000 0.013 0.000 3/14112 400.0 0.081 0.059 0.094 0.000 0.013 0.000 3/14112 410.0 0.080 0.058 0.092 0.000 0.013 0.000 3/14112 420.0 0.078 0.057 0.090 0.000 0.012 0.000 3/14112 430.0 0.076 0.056 0.088 0.000 0.012 0.000 3/14112 440.0 0.074 0.055 0.086 0.000 0.012 0.000 3/14112 450.0 0.073 0.054 0.084 0.000 0.012 0.000 3/14112 460.0 0.071 0.052 0.082 0.000 0.011 0.000 3/14112 470.0 0.070 0.051 0.081 0.000 0.011 0.000 3/14112 480.0 0.069 0.051 0.079 0.000 0.011 0.000 3/14112 490.0 0.067 0.050 0.077 0.000 0.011 0.000 3/14112 500.0 0.066 0.049 0.076 0.000 0.010 0.000 3/14112 510.0 0.065 0.048 0.074 0.000 0.010 0.000 3/14112 520.0 0.064 0.047 0.073 0.000 0.010 0.000 3/14112 530.0 0.062 0.046 0.072 0.000 0.010 0.000 3/14112 540.0 0.061 0.045 0.070 0.000 0.010 0.000 3/14112 550.0 0.060 0.045 0.069 0.000 0.009 0.000 3/14112 560.0 0.059 0.044 0.068 0.000 0.009 0.000 3/14112 570.0 0.058 0.043 0.067 0.000 0.009 0.000 3/14112 580.0 0.057 0.043 0.066 0.000 0.009 0.000 3/14112 590.0 0.056 0.042 0.065 0.000 0.009 0.000 3/14112 600.0 0.056 0.041 0.064 0.000 0.009 0.000 3/14112 610.0 0.055 0.041 0.063 0.000 0.009 0.000 3/14112 620.0 0.054 0.040 0.062 0.000 0.008 0.000 3/14112 630.0 0.053 0.040 0.061 0.000 0.008 0.000 3/14112 640.0 0.052 0.039 0.060 0.000 0.008 0.000 3/14112 650.0 0.051 0.039 0.059 0.000 0.008 0.000 3/14112 660.0 0.051 0.038 0.058 0.000 0.008 0.000 3/14112 670.0 0.050 0.037 0.057 0.000 0.008 0.000 3/14112 680.0 0.049 0.037 0.056 0.000 0.008 0.000 3/14112 690.0 0.049 0.036 0.055 0.000 0.008 0.000 3/14112 700.0 0.048 0.036 0.055 0.000 0.007 0.000 3/14112 710.0 0.047 0.036 0.054 0.000 0.007 0.000 3/14112 720.0 0.047 0.035 0.053 0.000 0.007 0.000 3/14112 730.0 0.046 0.035 0.053 0.000 0.007 0.000 3/14112 740.0 0.046 0.034 0.052 0.000 0.007 0.000 3/14112 750.0 0.045 0.034 0.051 0.000 0.007 0.000 3/14112 760.0 0.044 0.033 0.051 0.000 0.007 0.000 3/14112 770.0 0.044 0.033 0.050 0.000 0.007 0.000 3/14112 780.0 0.043 0.033 0.049 0.000 0.007 0.000 3/14112 790.0 0.043 0.032 0.049 0.000 0.007 0.000 3/14112 800.0 0.042 0.032 0.048 0.000 0.007 0.000 3/14112 810.0 0.042 0.032 0.047 0.000 0.006 0.000 3/14112 820.0 0.041 0.031 0.047 0.000 0.006 0.000 3/14112 830.0 0.041 0.031 0.046 0.000 0.006 0.000 3/14112 840.0 0.040 0.031 0.046 0.000 0.006 0.000 3/14112 850.0 0.040 0.030 0.045 0.000 0.006 0.000 3/14112 860.0 0.039 0.030 0.045 0.000 0.006 0.000 3/14112 870.0 0.039 0.030 0.044 0.000 0.006 0.000 3/14112 880.0 0.039 0.029 0.044 0.000 0.006 0.000 3/14112 890.0 0.038 0.029 0.043 0.000 0.006 0.000 3/14112 900.0 0.038 0.029 0.043 0.000 0.006 0.000 3/14112 910.0 0.037 0.028 0.042 0.000 0.006 0.000 3/14112 920.0 0.037 0.028 0.042 0.000 0.006 0.000 3/14112 930.0 0.037 0.028 0.042 0.000 0.006 0.000 3/14112 940.0 0.036 0.028 0.041 0.000 0.006 0.000 3/14112 950.0 0.036 0.027 0.041 0.000 0.006 0.000 3/14112 960.0 0.036 0.027 0.040 0.000 0.005 0.000 3/14112 970.0 0.035 0.027 0.040 0.000 0.005 0.000 3/14112 980.0 0.035 0.027 0.039 0.000 0.005 0.000 3/14112 990.0 0.035 0.026 0.039 0.000 0.005 0.000 3/14112 1000.0 0.034 0.026 0.039 0.000 0.005 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m746.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:16:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|