----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:01:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.889559844445801 -3.898609780000000 0.000000000000000 b 7.889559844445801 3.898609780000000 0.000000000000000 c -1.464590930261189 0.000000000000000 10.679191083723122 Atomic positions (fractional): *1 Pr 0.32044887634922 0.07660328025578 0.68149389822252 140.908 *2 Pr 0.59721614158405 0.40278385841595 0.75000000000000 140.908 3 Pr 0.67955112365078 0.92339671974422 0.31850610177748 140.908 4 Pr 0.92339671974422 0.67955112365078 0.81850610177748 140.908 5 Pr 0.07660328025577 0.32044887634921 0.18149389822252 140.908 6 Pr 0.40278385841595 0.59721614158405 0.25000000000000 140.908 *7 Si 0.37667994694968 0.30304353496472 0.97019369939407 28.085 8 Si 0.69695646503527 0.62332005305032 0.52980630060593 28.085 9 Si 0.62332005305032 0.69695646503528 0.02980630060593 28.085 10 Si 0.30304353496473 0.37667994694968 0.47019369939407 28.085 *11 S 0.71275608862843 0.85442276614483 0.58554578396678 32.065 *12 S 0.58750959055318 0.27923002475786 0.45580265534797 32.065 13 S 0.14557723385517 0.28724391137157 0.91445421603322 32.065 *14 S 0.24972428741664 0.45164066454967 0.66245742074805 32.065 *15 S 0.39864402873277 0.89284680877308 0.14875555631916 32.065 16 S 0.10715319122692 0.60135597126723 0.35124444368084 32.065 17 S 0.41249040944682 0.72076997524214 0.54419734465203 32.065 18 S 0.28724391137157 0.14557723385517 0.41445421603322 32.065 19 S 0.45164066454967 0.24972428741664 0.16245742074805 32.065 20 S 0.54835933545033 0.75027571258336 0.83754257925195 32.065 21 S 0.60135597126723 0.10715319122692 0.85124444368084 32.065 22 S 0.27923002475786 0.58750959055318 0.95580265534797 32.065 23 S 0.75027571258336 0.54835933545033 0.33754257925195 32.065 24 S 0.89284680877308 0.39864402873277 0.64875555631916 32.065 25 S 0.72076997524214 0.41249040944682 0.04419734465203 32.065 26 S 0.85442276614483 0.71275608862843 0.08554578396678 32.065 *27 I 0.98630741191872 0.01369258808127 0.25000000000000 126.904 28 I 0.01369258808128 0.98630741191872 0.75000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.779119688891601 0.000000000000000 0.000000000000000 b 0.000000000000000 7.797219560000000 0.000000000000000 c -1.464590930261189 0.000000000000000 10.679191083723122 Atomic positions (fractional): *1 Pr 0.19852607830249 0.87807720195328 0.68149389822252 140.908 > 1 *2 Pr 0.00000000000000 0.40278385841595 0.75000000000000 140.908 > 2 3 Pr 0.30147392169750 0.62192279804672 0.31850610177748 140.908 > 3 4 Pr 0.30147392169750 0.37807720195328 0.81850610177748 140.908 > 4 5 Pr 0.19852607830249 0.12192279804672 0.18149389822252 140.908 > 5 6 Pr 0.00000000000000 0.59721614158405 0.25000000000000 140.908 > 6 7 Pr 0.69852607830249 0.37807720195328 0.68149389822252 140.908 > 1 8 Pr 0.50000000000000 0.90278385841595 0.75000000000000 140.908 > 2 9 Pr 0.80147392169751 0.12192279804672 0.31850610177748 140.908 > 3 10 Pr 0.80147392169751 0.87807720195328 0.81850610177748 140.908 > 4 11 Pr 0.69852607830249 0.62192279804672 0.18149389822252 140.908 > 5 12 Pr 0.50000000000000 0.09721614158405 0.25000000000000 140.908 > 6 *13 Si 0.33986174095720 0.96318179400752 0.97019369939407 28.085 > 7 14 Si 0.16013825904280 0.46318179400752 0.52980630060593 28.085 > 8 15 Si 0.16013825904280 0.53681820599248 0.02980630060593 28.085 > 9 16 Si 0.33986174095720 0.03681820599248 0.47019369939407 28.085 > 10 17 Si 0.83986174095720 0.46318179400752 0.97019369939407 28.085 > 7 18 Si 0.66013825904280 0.96318179400752 0.52980630060593 28.085 > 8 19 Si 0.66013825904280 0.03681820599248 0.02980630060593 28.085 > 9 20 Si 0.83986174095720 0.53681820599248 0.47019369939407 28.085 > 10 *21 S 0.28358942738663 0.57083333875820 0.58554578396678 32.065 > 11 *22 S 0.43336980765552 0.84586021710234 0.45580265534797 32.065 > 12 23 S 0.21641057261337 0.07083333875820 0.91445421603322 32.065 > 13 *24 S 0.35068247598316 0.10095818856652 0.66245742074805 32.065 > 14 *25 S 0.14574541875292 0.74710139002015 0.14875555631916 32.065 > 15 26 S 0.35425458124708 0.24710139002015 0.35124444368084 32.065 > 16 27 S 0.06663019234448 0.65413978289766 0.54419734465203 32.065 > 17 28 S 0.21641057261337 0.92916666124180 0.41445421603322 32.065 > 18 29 S 0.35068247598316 0.89904181143349 0.16245742074805 32.065 > 19 30 S 0.14931752401684 0.60095818856651 0.83754257925195 32.065 > 20 31 S 0.35425458124708 0.75289860997985 0.85124444368084 32.065 > 21 32 S 0.43336980765552 0.15413978289766 0.95580265534797 32.065 > 22 33 S 0.14931752401684 0.39904181143348 0.33754257925195 32.065 > 23 34 S 0.14574541875292 0.25289860997984 0.64875555631916 32.065 > 24 35 S 0.06663019234448 0.34586021710234 0.04419734465203 32.065 > 25 36 S 0.28358942738663 0.42916666124180 0.08554578396678 32.065 > 26 37 S 0.78358942738663 0.07083333875820 0.58554578396678 32.065 > 11 38 S 0.93336980765552 0.34586021710234 0.45580265534797 32.065 > 12 39 S 0.71641057261337 0.57083333875820 0.91445421603322 32.065 > 13 40 S 0.85068247598316 0.60095818856651 0.66245742074805 32.065 > 14 41 S 0.64574541875292 0.24710139002015 0.14875555631916 32.065 > 15 42 S 0.85425458124708 0.74710139002015 0.35124444368084 32.065 > 16 43 S 0.56663019234448 0.15413978289766 0.54419734465203 32.065 > 17 44 S 0.71641057261337 0.42916666124180 0.41445421603322 32.065 > 18 45 S 0.85068247598316 0.39904181143348 0.16245742074805 32.065 > 19 46 S 0.64931752401684 0.10095818856652 0.83754257925195 32.065 > 20 47 S 0.85425458124708 0.25289860997984 0.85124444368084 32.065 > 21 48 S 0.93336980765552 0.65413978289766 0.95580265534797 32.065 > 22 49 S 0.64931752401684 0.89904181143349 0.33754257925195 32.065 > 23 50 S 0.64574541875292 0.75289860997985 0.64875555631916 32.065 > 24 51 S 0.56663019234448 0.84586021710234 0.04419734465203 32.065 > 25 52 S 0.78358942738663 0.92916666124180 0.08554578396678 32.065 > 26 *53 I 0.00000000000000 0.01369258808127 0.25000000000000 126.904 > 27 54 I 0.00000000000000 0.98630741191872 0.75000000000000 126.904 > 28 55 I 0.50000000000000 0.51369258808128 0.25000000000000 126.904 > 27 56 I 0.50000000000000 0.48630741191873 0.75000000000000 126.904 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.779119688891601 0.000000000000000 0.000000000000000 b 0.000000000000000 15.594439120000001 0.000000000000000 c -1.464590930261189 0.000000000000000 10.679191083723122 Atomic positions (fractional): *1 Pr 0.19852607830249 0.43903860097664 0.68149389822252 140.908 > 1 2 Pr 0.19852607830249 0.93903860097664 0.68149389822252 140.908 > 1 *3 Pr 0.00000000000000 0.20139192920797 0.75000000000000 140.908 > 2 4 Pr 0.00000000000000 0.70139192920797 0.75000000000000 140.908 > 2 5 Pr 0.30147392169750 0.31096139902336 0.31850610177748 140.908 > 3 6 Pr 0.30147392169750 0.81096139902336 0.31850610177748 140.908 > 3 7 Pr 0.30147392169750 0.18903860097664 0.81850610177748 140.908 > 4 8 Pr 0.30147392169750 0.68903860097664 0.81850610177748 140.908 > 4 9 Pr 0.19852607830249 0.06096139902336 0.18149389822252 140.908 > 5 10 Pr 0.19852607830249 0.56096139902336 0.18149389822252 140.908 > 5 11 Pr 0.00000000000000 0.29860807079203 0.25000000000000 140.908 > 6 12 Pr 0.00000000000000 0.79860807079203 0.25000000000000 140.908 > 6 13 Pr 0.69852607830249 0.18903860097664 0.68149389822252 140.908 > 1 14 Pr 0.69852607830249 0.68903860097664 0.68149389822252 140.908 > 1 15 Pr 0.50000000000000 0.45139192920797 0.75000000000000 140.908 > 2 16 Pr 0.50000000000000 0.95139192920797 0.75000000000000 140.908 > 2 17 Pr 0.80147392169751 0.06096139902336 0.31850610177748 140.908 > 3 18 Pr 0.80147392169751 0.56096139902336 0.31850610177748 140.908 > 3 19 Pr 0.80147392169751 0.43903860097664 0.81850610177748 140.908 > 4 20 Pr 0.80147392169751 0.93903860097664 0.81850610177748 140.908 > 4 21 Pr 0.69852607830249 0.31096139902336 0.18149389822252 140.908 > 5 22 Pr 0.69852607830249 0.81096139902336 0.18149389822252 140.908 > 5 23 Pr 0.50000000000000 0.04860807079203 0.25000000000000 140.908 > 6 24 Pr 0.50000000000000 0.54860807079203 0.25000000000000 140.908 > 6 *25 Si 0.33986174095720 0.48159089700376 0.97019369939407 28.085 > 7 26 Si 0.33986174095720 0.98159089700376 0.97019369939407 28.085 > 7 27 Si 0.16013825904280 0.23159089700376 0.52980630060593 28.085 > 8 28 Si 0.16013825904280 0.73159089700376 0.52980630060593 28.085 > 8 29 Si 0.16013825904280 0.26840910299624 0.02980630060593 28.085 > 9 30 Si 0.16013825904280 0.76840910299624 0.02980630060593 28.085 > 9 31 Si 0.33986174095720 0.01840910299624 0.47019369939407 28.085 > 10 32 Si 0.33986174095720 0.51840910299624 0.47019369939407 28.085 > 10 33 Si 0.83986174095720 0.23159089700376 0.97019369939407 28.085 > 7 34 Si 0.83986174095720 0.73159089700376 0.97019369939407 28.085 > 7 35 Si 0.66013825904280 0.48159089700376 0.52980630060593 28.085 > 8 36 Si 0.66013825904280 0.98159089700376 0.52980630060593 28.085 > 8 37 Si 0.66013825904280 0.01840910299624 0.02980630060593 28.085 > 9 38 Si 0.66013825904280 0.51840910299624 0.02980630060593 28.085 > 9 39 Si 0.83986174095720 0.26840910299624 0.47019369939407 28.085 > 10 40 Si 0.83986174095720 0.76840910299624 0.47019369939407 28.085 > 10 *41 S 0.28358942738663 0.28541666937910 0.58554578396678 32.065 > 11 42 S 0.28358942738663 0.78541666937910 0.58554578396678 32.065 > 11 *43 S 0.43336980765552 0.42293010855117 0.45580265534797 32.065 > 12 44 S 0.43336980765552 0.92293010855117 0.45580265534797 32.065 > 12 45 S 0.21641057261337 0.03541666937910 0.91445421603322 32.065 > 13 46 S 0.21641057261337 0.53541666937910 0.91445421603322 32.065 > 13 *47 S 0.35068247598316 0.05047909428326 0.66245742074805 32.065 > 14 48 S 0.35068247598316 0.55047909428326 0.66245742074805 32.065 > 14 *49 S 0.14574541875292 0.37355069501008 0.14875555631916 32.065 > 15 50 S 0.14574541875292 0.87355069501008 0.14875555631916 32.065 > 15 51 S 0.35425458124708 0.12355069501008 0.35124444368084 32.065 > 16 52 S 0.35425458124708 0.62355069501008 0.35124444368084 32.065 > 16 53 S 0.06663019234448 0.32706989144883 0.54419734465203 32.065 > 17 54 S 0.06663019234448 0.82706989144883 0.54419734465203 32.065 > 17 55 S 0.21641057261337 0.46458333062090 0.41445421603322 32.065 > 18 56 S 0.21641057261337 0.96458333062090 0.41445421603322 32.065 > 18 57 S 0.35068247598316 0.44952090571674 0.16245742074805 32.065 > 19 58 S 0.35068247598316 0.94952090571674 0.16245742074805 32.065 > 19 59 S 0.14931752401684 0.30047909428326 0.83754257925195 32.065 > 20 60 S 0.14931752401684 0.80047909428326 0.83754257925195 32.065 > 20 61 S 0.35425458124708 0.37644930498992 0.85124444368084 32.065 > 21 62 S 0.35425458124708 0.87644930498992 0.85124444368084 32.065 > 21 63 S 0.43336980765552 0.07706989144883 0.95580265534797 32.065 > 22 64 S 0.43336980765552 0.57706989144883 0.95580265534797 32.065 > 22 65 S 0.14931752401684 0.19952090571674 0.33754257925195 32.065 > 23 66 S 0.14931752401684 0.69952090571674 0.33754257925195 32.065 > 23 67 S 0.14574541875292 0.12644930498992 0.64875555631916 32.065 > 24 68 S 0.14574541875292 0.62644930498992 0.64875555631916 32.065 > 24 69 S 0.06663019234448 0.17293010855117 0.04419734465203 32.065 > 25 70 S 0.06663019234448 0.67293010855117 0.04419734465203 32.065 > 25 71 S 0.28358942738663 0.21458333062090 0.08554578396678 32.065 > 26 72 S 0.28358942738663 0.71458333062090 0.08554578396678 32.065 > 26 73 S 0.78358942738663 0.03541666937910 0.58554578396678 32.065 > 11 74 S 0.78358942738663 0.53541666937910 0.58554578396678 32.065 > 11 75 S 0.93336980765552 0.17293010855117 0.45580265534797 32.065 > 12 76 S 0.93336980765552 0.67293010855117 0.45580265534797 32.065 > 12 77 S 0.71641057261337 0.28541666937910 0.91445421603322 32.065 > 13 78 S 0.71641057261337 0.78541666937910 0.91445421603322 32.065 > 13 79 S 0.85068247598316 0.30047909428326 0.66245742074805 32.065 > 14 80 S 0.85068247598316 0.80047909428326 0.66245742074805 32.065 > 14 81 S 0.64574541875292 0.12355069501008 0.14875555631916 32.065 > 15 82 S 0.64574541875292 0.62355069501008 0.14875555631916 32.065 > 15 83 S 0.85425458124708 0.37355069501008 0.35124444368084 32.065 > 16 84 S 0.85425458124708 0.87355069501008 0.35124444368084 32.065 > 16 85 S 0.56663019234448 0.07706989144883 0.54419734465203 32.065 > 17 86 S 0.56663019234448 0.57706989144883 0.54419734465203 32.065 > 17 87 S 0.71641057261337 0.21458333062090 0.41445421603322 32.065 > 18 88 S 0.71641057261337 0.71458333062090 0.41445421603322 32.065 > 18 89 S 0.85068247598316 0.19952090571674 0.16245742074805 32.065 > 19 90 S 0.85068247598316 0.69952090571674 0.16245742074805 32.065 > 19 91 S 0.64931752401684 0.05047909428326 0.83754257925195 32.065 > 20 92 S 0.64931752401684 0.55047909428326 0.83754257925195 32.065 > 20 93 S 0.85425458124708 0.12644930498992 0.85124444368084 32.065 > 21 94 S 0.85425458124708 0.62644930498992 0.85124444368084 32.065 > 21 95 S 0.93336980765552 0.32706989144883 0.95580265534797 32.065 > 22 96 S 0.93336980765552 0.82706989144883 0.95580265534797 32.065 > 22 97 S 0.64931752401684 0.44952090571674 0.33754257925195 32.065 > 23 98 S 0.64931752401684 0.94952090571674 0.33754257925195 32.065 > 23 99 S 0.64574541875292 0.37644930498992 0.64875555631916 32.065 > 24 100 S 0.64574541875292 0.87644930498992 0.64875555631916 32.065 > 24 101 S 0.56663019234448 0.42293010855117 0.04419734465203 32.065 > 25 102 S 0.56663019234448 0.92293010855117 0.04419734465203 32.065 > 25 103 S 0.78358942738663 0.46458333062090 0.08554578396678 32.065 > 26 104 S 0.78358942738663 0.96458333062090 0.08554578396678 32.065 > 26 *105 I 0.00000000000000 0.00684629404064 0.25000000000000 126.904 > 27 106 I 0.00000000000000 0.50684629404064 0.25000000000000 126.904 > 27 107 I 0.00000000000000 0.49315370595936 0.75000000000000 126.904 > 28 108 I 0.00000000000000 0.99315370595936 0.75000000000000 126.904 > 28 109 I 0.50000000000000 0.25684629404064 0.25000000000000 126.904 > 27 110 I 0.50000000000000 0.75684629404064 0.25000000000000 126.904 > 27 111 I 0.50000000000000 0.24315370595936 0.75000000000000 126.904 > 28 112 I 0.50000000000000 0.74315370595936 0.75000000000000 126.904 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7873642 0.0000000 -0.0493941 0.0000000 6.6417106 0.0000000 -0.0493959 0.0000000 6.8076831 -------------------------- Born effective charges -------------------------- 1 Pr 3.5906157 0.3293496 -0.0658198 0.2038781 4.3416233 0.2575057 -0.2282980 -0.0104597 3.8812920 2 Pr 4.7546432 0.0000000 -0.1209523 -0.0000000 3.1080527 0.0000000 0.0011539 0.0000000 3.8191715 3 Pr 3.5906157 0.3293496 -0.0658198 0.2038781 4.3416233 0.2575057 -0.2282980 -0.0104597 3.8812920 4 Pr 3.5906157 -0.3293496 -0.0658198 -0.2038781 4.3416233 -0.2575057 -0.2282980 0.0104597 3.8812920 5 Pr 3.5906157 -0.3293496 -0.0658198 -0.2038781 4.3416233 -0.2575057 -0.2282980 0.0104597 3.8812920 6 Pr 4.7546432 0.0000000 -0.1209523 -0.0000000 3.1080527 0.0000000 0.0011539 0.0000000 3.8191715 7 Si 2.2948591 0.0238116 -0.1796087 -0.3662675 2.4466046 0.2750329 -0.0657992 0.1476230 3.4546850 8 Si 2.2948591 -0.0238116 -0.1796087 0.3662675 2.4466046 -0.2750329 -0.0657992 -0.1476230 3.4546850 9 Si 2.2948591 0.0238116 -0.1796087 -0.3662675 2.4466046 0.2750329 -0.0657992 0.1476230 3.4546850 10 Si 2.2948591 -0.0238116 -0.1796087 0.3662675 2.4466046 -0.2750329 -0.0657992 -0.1476230 3.4546850 11 S -1.5971648 -0.3092823 0.0597515 -0.3689665 -1.7188165 0.1288379 0.0730186 0.1885240 -2.5676163 12 S -1.9515362 -0.0893910 -0.1777954 -0.1350737 -1.7883224 -0.0496752 -0.2501184 -0.1193314 -2.1616234 13 S -1.5971648 0.3092823 0.0597515 0.3689665 -1.7188165 -0.1288379 0.0730186 -0.1885240 -2.5676163 14 S -1.8732901 0.2543894 0.1581217 0.2151525 -1.6401615 -0.4460726 0.1824827 -0.5795059 -2.5642769 15 S -1.7764399 -0.1609596 0.0741919 -0.1760675 -2.3733067 -0.5882763 0.1696481 -0.4814055 -1.7116748 16 S -1.7764399 0.1609596 0.0741919 0.1760675 -2.3733067 0.5882763 0.1696481 0.4814055 -1.7116748 17 S -1.9515362 -0.0893910 -0.1777954 -0.1350737 -1.7883224 -0.0496752 -0.2501184 -0.1193314 -2.1616234 18 S -1.5971648 -0.3092823 0.0597515 -0.3689665 -1.7188165 0.1288379 0.0730186 0.1885240 -2.5676163 19 S -1.8732901 -0.2543894 0.1581217 -0.2151525 -1.6401615 0.4460726 0.1824827 0.5795059 -2.5642769 20 S -1.8732901 -0.2543894 0.1581217 -0.2151525 -1.6401615 0.4460726 0.1824827 0.5795059 -2.5642769 21 S -1.7764399 -0.1609596 0.0741919 -0.1760675 -2.3733067 -0.5882763 0.1696481 -0.4814055 -1.7116748 22 S -1.9515362 0.0893910 -0.1777954 0.1350737 -1.7883224 0.0496752 -0.2501184 0.1193314 -2.1616234 23 S -1.8732901 0.2543894 0.1581217 0.2151525 -1.6401615 -0.4460726 0.1824827 -0.5795059 -2.5642769 24 S -1.7764399 0.1609596 0.0741919 0.1760675 -2.3733067 0.5882763 0.1696481 0.4814055 -1.7116748 25 S -1.9515362 0.0893910 -0.1777954 0.1350737 -1.7883224 0.0496752 -0.2501184 0.1193314 -2.1616234 26 S -1.5971648 0.3092823 0.0597515 0.3689665 -1.7188165 -0.1288379 0.0730186 -0.1885240 -2.5676163 27 I -2.1287308 0.0000000 0.3832699 -0.0000000 -1.6432943 0.0000000 0.2369786 0.0000000 -0.4807429 28 I -2.1287308 0.0000000 0.3832699 -0.0000000 -1.6432943 0.0000000 0.2369786 0.0000000 -0.4807429 ---------------------------------------------------------------------------- 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: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.153 Solver_block: 200 / 880 - Time: 0.948 Solver_block: 300 / 880 - Time: 0.942 Solver_block: 400 / 880 - Time: 0.948 Solver_block: 500 / 880 - Time: 0.939 Solver_block: 600 / 880 - Time: 0.941 Solver_block: 700 / 880 - Time: 0.926 Solver_block: 800 / 880 - Time: 0.932 Solver_block: 880 / 880 - Time: 0.782 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.685 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:02:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:02:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.889559844445801 -3.898609780000000 0.000000000000000 b 7.889559844445801 3.898609780000000 0.000000000000000 c -1.464590930261189 0.000000000000000 10.679191083723122 Atomic positions (fractional): 1 Pr 0.32044887634922 0.07660328025578 0.68149389822252 140.908 2 Pr 0.59721614158405 0.40278385841595 0.75000000000000 140.908 3 Pr 0.67955112365078 0.92339671974422 0.31850610177748 140.908 4 Pr 0.92339671974422 0.67955112365078 0.81850610177748 140.908 5 Pr 0.07660328025577 0.32044887634921 0.18149389822252 140.908 6 Pr 0.40278385841595 0.59721614158405 0.25000000000000 140.908 7 Si 0.37667994694968 0.30304353496472 0.97019369939407 28.085 8 Si 0.69695646503527 0.62332005305032 0.52980630060593 28.085 9 Si 0.62332005305032 0.69695646503528 0.02980630060593 28.085 10 Si 0.30304353496473 0.37667994694968 0.47019369939407 28.085 11 S 0.71275608862843 0.85442276614483 0.58554578396678 32.065 12 S 0.58750959055318 0.27923002475786 0.45580265534797 32.065 13 S 0.14557723385517 0.28724391137157 0.91445421603322 32.065 14 S 0.24972428741664 0.45164066454967 0.66245742074805 32.065 15 S 0.39864402873277 0.89284680877308 0.14875555631916 32.065 16 S 0.10715319122692 0.60135597126723 0.35124444368084 32.065 17 S 0.41249040944682 0.72076997524214 0.54419734465203 32.065 18 S 0.28724391137157 0.14557723385517 0.41445421603322 32.065 19 S 0.45164066454967 0.24972428741664 0.16245742074805 32.065 20 S 0.54835933545033 0.75027571258336 0.83754257925195 32.065 21 S 0.60135597126723 0.10715319122692 0.85124444368084 32.065 22 S 0.27923002475786 0.58750959055318 0.95580265534797 32.065 23 S 0.75027571258336 0.54835933545033 0.33754257925195 32.065 24 S 0.89284680877308 0.39864402873277 0.64875555631916 32.065 25 S 0.72076997524214 0.41249040944682 0.04419734465203 32.065 26 S 0.85442276614483 0.71275608862843 0.08554578396678 32.065 27 I 0.98630741191872 0.01369258808127 0.25000000000000 126.904 28 I 0.01369258808128 0.98630741191872 0.75000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.779119688891601 0.000000000000000 0.000000000000000 b 0.000000000000000 15.594439120000001 0.000000000000000 c -1.464590930261189 0.000000000000000 10.679191083723122 Atomic positions (fractional): 1 Pr 0.19852607830249 0.43903860097664 0.68149389822252 140.908 > 1 2 Pr 0.19852607830249 0.93903860097664 0.68149389822252 140.908 > 1 3 Pr 0.00000000000000 0.20139192920797 0.75000000000000 140.908 > 3 4 Pr 0.00000000000000 0.70139192920797 0.75000000000000 140.908 > 3 5 Pr 0.30147392169750 0.31096139902336 0.31850610177748 140.908 > 5 6 Pr 0.30147392169750 0.81096139902336 0.31850610177748 140.908 > 5 7 Pr 0.30147392169750 0.18903860097664 0.81850610177748 140.908 > 7 8 Pr 0.30147392169750 0.68903860097664 0.81850610177748 140.908 > 7 9 Pr 0.19852607830249 0.06096139902336 0.18149389822252 140.908 > 9 10 Pr 0.19852607830249 0.56096139902336 0.18149389822252 140.908 > 9 11 Pr 0.00000000000000 0.29860807079203 0.25000000000000 140.908 > 11 12 Pr 0.00000000000000 0.79860807079203 0.25000000000000 140.908 > 11 13 Pr 0.69852607830249 0.18903860097664 0.68149389822252 140.908 > 1 14 Pr 0.69852607830249 0.68903860097664 0.68149389822252 140.908 > 1 15 Pr 0.50000000000000 0.45139192920797 0.75000000000000 140.908 > 3 16 Pr 0.50000000000000 0.95139192920797 0.75000000000000 140.908 > 3 17 Pr 0.80147392169751 0.06096139902336 0.31850610177748 140.908 > 5 18 Pr 0.80147392169751 0.56096139902336 0.31850610177748 140.908 > 5 19 Pr 0.80147392169751 0.43903860097664 0.81850610177748 140.908 > 7 20 Pr 0.80147392169751 0.93903860097664 0.81850610177748 140.908 > 7 21 Pr 0.69852607830249 0.31096139902336 0.18149389822252 140.908 > 9 22 Pr 0.69852607830249 0.81096139902336 0.18149389822252 140.908 > 9 23 Pr 0.50000000000000 0.04860807079203 0.25000000000000 140.908 > 11 24 Pr 0.50000000000000 0.54860807079203 0.25000000000000 140.908 > 11 25 Si 0.33986174095720 0.48159089700376 0.97019369939407 28.085 > 25 26 Si 0.33986174095720 0.98159089700376 0.97019369939407 28.085 > 25 27 Si 0.16013825904280 0.23159089700376 0.52980630060593 28.085 > 27 28 Si 0.16013825904280 0.73159089700376 0.52980630060593 28.085 > 27 29 Si 0.16013825904280 0.26840910299624 0.02980630060593 28.085 > 29 30 Si 0.16013825904280 0.76840910299624 0.02980630060593 28.085 > 29 31 Si 0.33986174095720 0.01840910299624 0.47019369939407 28.085 > 31 32 Si 0.33986174095720 0.51840910299624 0.47019369939407 28.085 > 31 33 Si 0.83986174095720 0.23159089700376 0.97019369939407 28.085 > 25 34 Si 0.83986174095720 0.73159089700376 0.97019369939407 28.085 > 25 35 Si 0.66013825904280 0.48159089700376 0.52980630060593 28.085 > 27 36 Si 0.66013825904280 0.98159089700376 0.52980630060593 28.085 > 27 37 Si 0.66013825904280 0.01840910299624 0.02980630060593 28.085 > 29 38 Si 0.66013825904280 0.51840910299624 0.02980630060593 28.085 > 29 39 Si 0.83986174095720 0.26840910299624 0.47019369939407 28.085 > 31 40 Si 0.83986174095720 0.76840910299624 0.47019369939407 28.085 > 31 41 S 0.28358942738663 0.28541666937910 0.58554578396678 32.065 > 41 42 S 0.28358942738663 0.78541666937910 0.58554578396678 32.065 > 41 43 S 0.43336980765552 0.42293010855117 0.45580265534797 32.065 > 43 44 S 0.43336980765552 0.92293010855117 0.45580265534797 32.065 > 43 45 S 0.21641057261337 0.03541666937910 0.91445421603322 32.065 > 45 46 S 0.21641057261337 0.53541666937910 0.91445421603322 32.065 > 45 47 S 0.35068247598316 0.05047909428326 0.66245742074805 32.065 > 47 48 S 0.35068247598316 0.55047909428326 0.66245742074805 32.065 > 47 49 S 0.14574541875292 0.37355069501008 0.14875555631916 32.065 > 49 50 S 0.14574541875292 0.87355069501008 0.14875555631916 32.065 > 49 51 S 0.35425458124708 0.12355069501008 0.35124444368084 32.065 > 51 52 S 0.35425458124708 0.62355069501008 0.35124444368084 32.065 > 51 53 S 0.06663019234448 0.32706989144883 0.54419734465203 32.065 > 53 54 S 0.06663019234448 0.82706989144883 0.54419734465203 32.065 > 53 55 S 0.21641057261337 0.46458333062090 0.41445421603322 32.065 > 55 56 S 0.21641057261337 0.96458333062090 0.41445421603322 32.065 > 55 57 S 0.35068247598316 0.44952090571674 0.16245742074805 32.065 > 57 58 S 0.35068247598316 0.94952090571674 0.16245742074805 32.065 > 57 59 S 0.14931752401684 0.30047909428326 0.83754257925195 32.065 > 59 60 S 0.14931752401684 0.80047909428326 0.83754257925195 32.065 > 59 61 S 0.35425458124708 0.37644930498992 0.85124444368084 32.065 > 61 62 S 0.35425458124708 0.87644930498992 0.85124444368084 32.065 > 61 63 S 0.43336980765552 0.07706989144883 0.95580265534797 32.065 > 63 64 S 0.43336980765552 0.57706989144883 0.95580265534797 32.065 > 63 65 S 0.14931752401684 0.19952090571674 0.33754257925195 32.065 > 65 66 S 0.14931752401684 0.69952090571674 0.33754257925195 32.065 > 65 67 S 0.14574541875292 0.12644930498992 0.64875555631916 32.065 > 67 68 S 0.14574541875292 0.62644930498992 0.64875555631916 32.065 > 67 69 S 0.06663019234448 0.17293010855117 0.04419734465203 32.065 > 69 70 S 0.06663019234448 0.67293010855117 0.04419734465203 32.065 > 69 71 S 0.28358942738663 0.21458333062090 0.08554578396678 32.065 > 71 72 S 0.28358942738663 0.71458333062090 0.08554578396678 32.065 > 71 73 S 0.78358942738663 0.03541666937910 0.58554578396678 32.065 > 41 74 S 0.78358942738663 0.53541666937910 0.58554578396678 32.065 > 41 75 S 0.93336980765552 0.17293010855117 0.45580265534797 32.065 > 43 76 S 0.93336980765552 0.67293010855117 0.45580265534797 32.065 > 43 77 S 0.71641057261337 0.28541666937910 0.91445421603322 32.065 > 45 78 S 0.71641057261337 0.78541666937910 0.91445421603322 32.065 > 45 79 S 0.85068247598316 0.30047909428326 0.66245742074805 32.065 > 47 80 S 0.85068247598316 0.80047909428326 0.66245742074805 32.065 > 47 81 S 0.64574541875292 0.12355069501008 0.14875555631916 32.065 > 49 82 S 0.64574541875292 0.62355069501008 0.14875555631916 32.065 > 49 83 S 0.85425458124708 0.37355069501008 0.35124444368084 32.065 > 51 84 S 0.85425458124708 0.87355069501008 0.35124444368084 32.065 > 51 85 S 0.56663019234448 0.07706989144883 0.54419734465203 32.065 > 53 86 S 0.56663019234448 0.57706989144883 0.54419734465203 32.065 > 53 87 S 0.71641057261337 0.21458333062090 0.41445421603322 32.065 > 55 88 S 0.71641057261337 0.71458333062090 0.41445421603322 32.065 > 55 89 S 0.85068247598316 0.19952090571674 0.16245742074805 32.065 > 57 90 S 0.85068247598316 0.69952090571674 0.16245742074805 32.065 > 57 91 S 0.64931752401684 0.05047909428326 0.83754257925195 32.065 > 59 92 S 0.64931752401684 0.55047909428326 0.83754257925195 32.065 > 59 93 S 0.85425458124708 0.12644930498992 0.85124444368084 32.065 > 61 94 S 0.85425458124708 0.62644930498992 0.85124444368084 32.065 > 61 95 S 0.93336980765552 0.32706989144883 0.95580265534797 32.065 > 63 96 S 0.93336980765552 0.82706989144883 0.95580265534797 32.065 > 63 97 S 0.64931752401684 0.44952090571674 0.33754257925195 32.065 > 65 98 S 0.64931752401684 0.94952090571674 0.33754257925195 32.065 > 65 99 S 0.64574541875292 0.37644930498992 0.64875555631916 32.065 > 67 100 S 0.64574541875292 0.87644930498992 0.64875555631916 32.065 > 67 101 S 0.56663019234448 0.42293010855117 0.04419734465203 32.065 > 69 102 S 0.56663019234448 0.92293010855117 0.04419734465203 32.065 > 69 103 S 0.78358942738663 0.46458333062090 0.08554578396678 32.065 > 71 104 S 0.78358942738663 0.96458333062090 0.08554578396678 32.065 > 71 105 I 0.00000000000000 0.00684629404064 0.25000000000000 126.904 > 105 106 I 0.00000000000000 0.50684629404064 0.25000000000000 126.904 > 105 107 I 0.00000000000000 0.49315370595936 0.75000000000000 126.904 > 107 108 I 0.00000000000000 0.99315370595936 0.75000000000000 126.904 > 107 109 I 0.50000000000000 0.25684629404064 0.25000000000000 126.904 > 105 110 I 0.50000000000000 0.75684629404064 0.25000000000000 126.904 > 105 111 I 0.50000000000000 0.24315370595936 0.75000000000000 126.904 > 107 112 I 0.50000000000000 0.74315370595936 0.75000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7873642 0.0000000 -0.0493941 0.0000000 6.6417106 0.0000000 -0.0493959 0.0000000 6.8076831 -------------------------- Born effective charges -------------------------- 1 Pr 3.5906157 0.3293496 -0.0658198 0.2038781 4.3416233 0.2575057 -0.2282980 -0.0104597 3.8812920 2 Pr 4.7546432 0.0000000 -0.1209523 -0.0000000 3.1080527 0.0000000 0.0011539 0.0000000 3.8191715 3 Pr 3.5906157 0.3293496 -0.0658198 0.2038781 4.3416233 0.2575057 -0.2282980 -0.0104597 3.8812920 4 Pr 3.5906157 -0.3293496 -0.0658198 -0.2038781 4.3416233 -0.2575057 -0.2282980 0.0104597 3.8812920 5 Pr 3.5906157 -0.3293496 -0.0658198 -0.2038781 4.3416233 -0.2575057 -0.2282980 0.0104597 3.8812920 6 Pr 4.7546432 0.0000000 -0.1209523 -0.0000000 3.1080527 0.0000000 0.0011539 0.0000000 3.8191715 7 Si 2.2948591 0.0238116 -0.1796087 -0.3662675 2.4466046 0.2750329 -0.0657992 0.1476230 3.4546850 8 Si 2.2948591 -0.0238116 -0.1796087 0.3662675 2.4466046 -0.2750329 -0.0657992 -0.1476230 3.4546850 9 Si 2.2948591 0.0238116 -0.1796087 -0.3662675 2.4466046 0.2750329 -0.0657992 0.1476230 3.4546850 10 Si 2.2948591 -0.0238116 -0.1796087 0.3662675 2.4466046 -0.2750329 -0.0657992 -0.1476230 3.4546850 11 S -1.5971648 -0.3092823 0.0597515 -0.3689665 -1.7188165 0.1288379 0.0730186 0.1885240 -2.5676163 12 S -1.9515362 -0.0893910 -0.1777954 -0.1350737 -1.7883224 -0.0496752 -0.2501184 -0.1193314 -2.1616234 13 S -1.5971648 0.3092823 0.0597515 0.3689665 -1.7188165 -0.1288379 0.0730186 -0.1885240 -2.5676163 14 S -1.8732901 0.2543894 0.1581217 0.2151525 -1.6401615 -0.4460726 0.1824827 -0.5795059 -2.5642769 15 S -1.7764399 -0.1609596 0.0741919 -0.1760675 -2.3733067 -0.5882763 0.1696481 -0.4814055 -1.7116748 16 S -1.7764399 0.1609596 0.0741919 0.1760675 -2.3733067 0.5882763 0.1696481 0.4814055 -1.7116748 17 S -1.9515362 -0.0893910 -0.1777954 -0.1350737 -1.7883224 -0.0496752 -0.2501184 -0.1193314 -2.1616234 18 S -1.5971648 -0.3092823 0.0597515 -0.3689665 -1.7188165 0.1288379 0.0730186 0.1885240 -2.5676163 19 S -1.8732901 -0.2543894 0.1581217 -0.2151525 -1.6401615 0.4460726 0.1824827 0.5795059 -2.5642769 20 S -1.8732901 -0.2543894 0.1581217 -0.2151525 -1.6401615 0.4460726 0.1824827 0.5795059 -2.5642769 21 S -1.7764399 -0.1609596 0.0741919 -0.1760675 -2.3733067 -0.5882763 0.1696481 -0.4814055 -1.7116748 22 S -1.9515362 0.0893910 -0.1777954 0.1350737 -1.7883224 0.0496752 -0.2501184 0.1193314 -2.1616234 23 S -1.8732901 0.2543894 0.1581217 0.2151525 -1.6401615 -0.4460726 0.1824827 -0.5795059 -2.5642769 24 S -1.7764399 0.1609596 0.0741919 0.1760675 -2.3733067 0.5882763 0.1696481 0.4814055 -1.7116748 25 S -1.9515362 0.0893910 -0.1777954 0.1350737 -1.7883224 0.0496752 -0.2501184 0.1193314 -2.1616234 26 S -1.5971648 0.3092823 0.0597515 0.3689665 -1.7188165 -0.1288379 0.0730186 -0.1885240 -2.5676163 27 I -2.1287308 0.0000000 0.3832699 -0.0000000 -1.6432943 0.0000000 0.2369786 0.0000000 -0.4807429 28 I -2.1287308 0.0000000 0.3832699 -0.0000000 -1.6432943 0.0000000 0.2369786 0.0000000 -0.4807429 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 43, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 47, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 105, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 14:03:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:03:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.889559844445801 -3.898609780000000 0.000000000000000 b 7.889559844445801 3.898609780000000 0.000000000000000 c -1.464590930261189 0.000000000000000 10.679191083723122 Atomic positions (fractional): 1 Pr 0.32044887634922 0.07660328025578 0.68149389822252 140.908 2 Pr 0.59721614158405 0.40278385841595 0.75000000000000 140.908 3 Pr 0.67955112365078 0.92339671974422 0.31850610177748 140.908 4 Pr 0.92339671974422 0.67955112365078 0.81850610177748 140.908 5 Pr 0.07660328025577 0.32044887634921 0.18149389822252 140.908 6 Pr 0.40278385841595 0.59721614158405 0.25000000000000 140.908 7 Si 0.37667994694968 0.30304353496472 0.97019369939407 28.085 8 Si 0.69695646503527 0.62332005305032 0.52980630060593 28.085 9 Si 0.62332005305032 0.69695646503528 0.02980630060593 28.085 10 Si 0.30304353496473 0.37667994694968 0.47019369939407 28.085 11 S 0.71275608862843 0.85442276614483 0.58554578396678 32.065 12 S 0.58750959055318 0.27923002475786 0.45580265534797 32.065 13 S 0.14557723385517 0.28724391137157 0.91445421603322 32.065 14 S 0.24972428741664 0.45164066454967 0.66245742074805 32.065 15 S 0.39864402873277 0.89284680877308 0.14875555631916 32.065 16 S 0.10715319122692 0.60135597126723 0.35124444368084 32.065 17 S 0.41249040944682 0.72076997524214 0.54419734465203 32.065 18 S 0.28724391137157 0.14557723385517 0.41445421603322 32.065 19 S 0.45164066454967 0.24972428741664 0.16245742074805 32.065 20 S 0.54835933545033 0.75027571258336 0.83754257925195 32.065 21 S 0.60135597126723 0.10715319122692 0.85124444368084 32.065 22 S 0.27923002475786 0.58750959055318 0.95580265534797 32.065 23 S 0.75027571258336 0.54835933545033 0.33754257925195 32.065 24 S 0.89284680877308 0.39864402873277 0.64875555631916 32.065 25 S 0.72076997524214 0.41249040944682 0.04419734465203 32.065 26 S 0.85442276614483 0.71275608862843 0.08554578396678 32.065 27 I 0.98630741191872 0.01369258808127 0.25000000000000 126.904 28 I 0.01369258808128 0.98630741191872 0.75000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.779119688891601 0.000000000000000 0.000000000000000 b 0.000000000000000 15.594439120000001 0.000000000000000 c -1.464590930261189 0.000000000000000 10.679191083723122 Atomic positions (fractional): 1 Pr 0.19852607830249 0.43903860097664 0.68149389822252 140.908 > 1 2 Pr 0.19852607830249 0.93903860097664 0.68149389822252 140.908 > 1 3 Pr 0.00000000000000 0.20139192920797 0.75000000000000 140.908 > 3 4 Pr 0.00000000000000 0.70139192920797 0.75000000000000 140.908 > 3 5 Pr 0.30147392169750 0.31096139902336 0.31850610177748 140.908 > 5 6 Pr 0.30147392169750 0.81096139902336 0.31850610177748 140.908 > 5 7 Pr 0.30147392169750 0.18903860097664 0.81850610177748 140.908 > 7 8 Pr 0.30147392169750 0.68903860097664 0.81850610177748 140.908 > 7 9 Pr 0.19852607830249 0.06096139902336 0.18149389822252 140.908 > 9 10 Pr 0.19852607830249 0.56096139902336 0.18149389822252 140.908 > 9 11 Pr 0.00000000000000 0.29860807079203 0.25000000000000 140.908 > 11 12 Pr 0.00000000000000 0.79860807079203 0.25000000000000 140.908 > 11 13 Pr 0.69852607830249 0.18903860097664 0.68149389822252 140.908 > 1 14 Pr 0.69852607830249 0.68903860097664 0.68149389822252 140.908 > 1 15 Pr 0.50000000000000 0.45139192920797 0.75000000000000 140.908 > 3 16 Pr 0.50000000000000 0.95139192920797 0.75000000000000 140.908 > 3 17 Pr 0.80147392169751 0.06096139902336 0.31850610177748 140.908 > 5 18 Pr 0.80147392169751 0.56096139902336 0.31850610177748 140.908 > 5 19 Pr 0.80147392169751 0.43903860097664 0.81850610177748 140.908 > 7 20 Pr 0.80147392169751 0.93903860097664 0.81850610177748 140.908 > 7 21 Pr 0.69852607830249 0.31096139902336 0.18149389822252 140.908 > 9 22 Pr 0.69852607830249 0.81096139902336 0.18149389822252 140.908 > 9 23 Pr 0.50000000000000 0.04860807079203 0.25000000000000 140.908 > 11 24 Pr 0.50000000000000 0.54860807079203 0.25000000000000 140.908 > 11 25 Si 0.33986174095720 0.48159089700376 0.97019369939407 28.085 > 25 26 Si 0.33986174095720 0.98159089700376 0.97019369939407 28.085 > 25 27 Si 0.16013825904280 0.23159089700376 0.52980630060593 28.085 > 27 28 Si 0.16013825904280 0.73159089700376 0.52980630060593 28.085 > 27 29 Si 0.16013825904280 0.26840910299624 0.02980630060593 28.085 > 29 30 Si 0.16013825904280 0.76840910299624 0.02980630060593 28.085 > 29 31 Si 0.33986174095720 0.01840910299624 0.47019369939407 28.085 > 31 32 Si 0.33986174095720 0.51840910299624 0.47019369939407 28.085 > 31 33 Si 0.83986174095720 0.23159089700376 0.97019369939407 28.085 > 25 34 Si 0.83986174095720 0.73159089700376 0.97019369939407 28.085 > 25 35 Si 0.66013825904280 0.48159089700376 0.52980630060593 28.085 > 27 36 Si 0.66013825904280 0.98159089700376 0.52980630060593 28.085 > 27 37 Si 0.66013825904280 0.01840910299624 0.02980630060593 28.085 > 29 38 Si 0.66013825904280 0.51840910299624 0.02980630060593 28.085 > 29 39 Si 0.83986174095720 0.26840910299624 0.47019369939407 28.085 > 31 40 Si 0.83986174095720 0.76840910299624 0.47019369939407 28.085 > 31 41 S 0.28358942738663 0.28541666937910 0.58554578396678 32.065 > 41 42 S 0.28358942738663 0.78541666937910 0.58554578396678 32.065 > 41 43 S 0.43336980765552 0.42293010855117 0.45580265534797 32.065 > 43 44 S 0.43336980765552 0.92293010855117 0.45580265534797 32.065 > 43 45 S 0.21641057261337 0.03541666937910 0.91445421603322 32.065 > 45 46 S 0.21641057261337 0.53541666937910 0.91445421603322 32.065 > 45 47 S 0.35068247598316 0.05047909428326 0.66245742074805 32.065 > 47 48 S 0.35068247598316 0.55047909428326 0.66245742074805 32.065 > 47 49 S 0.14574541875292 0.37355069501008 0.14875555631916 32.065 > 49 50 S 0.14574541875292 0.87355069501008 0.14875555631916 32.065 > 49 51 S 0.35425458124708 0.12355069501008 0.35124444368084 32.065 > 51 52 S 0.35425458124708 0.62355069501008 0.35124444368084 32.065 > 51 53 S 0.06663019234448 0.32706989144883 0.54419734465203 32.065 > 53 54 S 0.06663019234448 0.82706989144883 0.54419734465203 32.065 > 53 55 S 0.21641057261337 0.46458333062090 0.41445421603322 32.065 > 55 56 S 0.21641057261337 0.96458333062090 0.41445421603322 32.065 > 55 57 S 0.35068247598316 0.44952090571674 0.16245742074805 32.065 > 57 58 S 0.35068247598316 0.94952090571674 0.16245742074805 32.065 > 57 59 S 0.14931752401684 0.30047909428326 0.83754257925195 32.065 > 59 60 S 0.14931752401684 0.80047909428326 0.83754257925195 32.065 > 59 61 S 0.35425458124708 0.37644930498992 0.85124444368084 32.065 > 61 62 S 0.35425458124708 0.87644930498992 0.85124444368084 32.065 > 61 63 S 0.43336980765552 0.07706989144883 0.95580265534797 32.065 > 63 64 S 0.43336980765552 0.57706989144883 0.95580265534797 32.065 > 63 65 S 0.14931752401684 0.19952090571674 0.33754257925195 32.065 > 65 66 S 0.14931752401684 0.69952090571674 0.33754257925195 32.065 > 65 67 S 0.14574541875292 0.12644930498992 0.64875555631916 32.065 > 67 68 S 0.14574541875292 0.62644930498992 0.64875555631916 32.065 > 67 69 S 0.06663019234448 0.17293010855117 0.04419734465203 32.065 > 69 70 S 0.06663019234448 0.67293010855117 0.04419734465203 32.065 > 69 71 S 0.28358942738663 0.21458333062090 0.08554578396678 32.065 > 71 72 S 0.28358942738663 0.71458333062090 0.08554578396678 32.065 > 71 73 S 0.78358942738663 0.03541666937910 0.58554578396678 32.065 > 41 74 S 0.78358942738663 0.53541666937910 0.58554578396678 32.065 > 41 75 S 0.93336980765552 0.17293010855117 0.45580265534797 32.065 > 43 76 S 0.93336980765552 0.67293010855117 0.45580265534797 32.065 > 43 77 S 0.71641057261337 0.28541666937910 0.91445421603322 32.065 > 45 78 S 0.71641057261337 0.78541666937910 0.91445421603322 32.065 > 45 79 S 0.85068247598316 0.30047909428326 0.66245742074805 32.065 > 47 80 S 0.85068247598316 0.80047909428326 0.66245742074805 32.065 > 47 81 S 0.64574541875292 0.12355069501008 0.14875555631916 32.065 > 49 82 S 0.64574541875292 0.62355069501008 0.14875555631916 32.065 > 49 83 S 0.85425458124708 0.37355069501008 0.35124444368084 32.065 > 51 84 S 0.85425458124708 0.87355069501008 0.35124444368084 32.065 > 51 85 S 0.56663019234448 0.07706989144883 0.54419734465203 32.065 > 53 86 S 0.56663019234448 0.57706989144883 0.54419734465203 32.065 > 53 87 S 0.71641057261337 0.21458333062090 0.41445421603322 32.065 > 55 88 S 0.71641057261337 0.71458333062090 0.41445421603322 32.065 > 55 89 S 0.85068247598316 0.19952090571674 0.16245742074805 32.065 > 57 90 S 0.85068247598316 0.69952090571674 0.16245742074805 32.065 > 57 91 S 0.64931752401684 0.05047909428326 0.83754257925195 32.065 > 59 92 S 0.64931752401684 0.55047909428326 0.83754257925195 32.065 > 59 93 S 0.85425458124708 0.12644930498992 0.85124444368084 32.065 > 61 94 S 0.85425458124708 0.62644930498992 0.85124444368084 32.065 > 61 95 S 0.93336980765552 0.32706989144883 0.95580265534797 32.065 > 63 96 S 0.93336980765552 0.82706989144883 0.95580265534797 32.065 > 63 97 S 0.64931752401684 0.44952090571674 0.33754257925195 32.065 > 65 98 S 0.64931752401684 0.94952090571674 0.33754257925195 32.065 > 65 99 S 0.64574541875292 0.37644930498992 0.64875555631916 32.065 > 67 100 S 0.64574541875292 0.87644930498992 0.64875555631916 32.065 > 67 101 S 0.56663019234448 0.42293010855117 0.04419734465203 32.065 > 69 102 S 0.56663019234448 0.92293010855117 0.04419734465203 32.065 > 69 103 S 0.78358942738663 0.46458333062090 0.08554578396678 32.065 > 71 104 S 0.78358942738663 0.96458333062090 0.08554578396678 32.065 > 71 105 I 0.00000000000000 0.00684629404064 0.25000000000000 126.904 > 105 106 I 0.00000000000000 0.50684629404064 0.25000000000000 126.904 > 105 107 I 0.00000000000000 0.49315370595936 0.75000000000000 126.904 > 107 108 I 0.00000000000000 0.99315370595936 0.75000000000000 126.904 > 107 109 I 0.50000000000000 0.25684629404064 0.25000000000000 126.904 > 105 110 I 0.50000000000000 0.75684629404064 0.25000000000000 126.904 > 105 111 I 0.50000000000000 0.24315370595936 0.75000000000000 126.904 > 107 112 I 0.50000000000000 0.74315370595936 0.75000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7873642 0.0000000 -0.0493941 0.0000000 6.6417106 0.0000000 -0.0493959 0.0000000 6.8076831 -------------------------- Born effective charges -------------------------- 1 Pr 3.5906157 0.3293496 -0.0658198 0.2038781 4.3416233 0.2575057 -0.2282980 -0.0104597 3.8812920 2 Pr 4.7546432 0.0000000 -0.1209523 -0.0000000 3.1080527 0.0000000 0.0011539 0.0000000 3.8191715 3 Pr 3.5906157 0.3293496 -0.0658198 0.2038781 4.3416233 0.2575057 -0.2282980 -0.0104597 3.8812920 4 Pr 3.5906157 -0.3293496 -0.0658198 -0.2038781 4.3416233 -0.2575057 -0.2282980 0.0104597 3.8812920 5 Pr 3.5906157 -0.3293496 -0.0658198 -0.2038781 4.3416233 -0.2575057 -0.2282980 0.0104597 3.8812920 6 Pr 4.7546432 0.0000000 -0.1209523 -0.0000000 3.1080527 0.0000000 0.0011539 0.0000000 3.8191715 7 Si 2.2948591 0.0238116 -0.1796087 -0.3662675 2.4466046 0.2750329 -0.0657992 0.1476230 3.4546850 8 Si 2.2948591 -0.0238116 -0.1796087 0.3662675 2.4466046 -0.2750329 -0.0657992 -0.1476230 3.4546850 9 Si 2.2948591 0.0238116 -0.1796087 -0.3662675 2.4466046 0.2750329 -0.0657992 0.1476230 3.4546850 10 Si 2.2948591 -0.0238116 -0.1796087 0.3662675 2.4466046 -0.2750329 -0.0657992 -0.1476230 3.4546850 11 S -1.5971648 -0.3092823 0.0597515 -0.3689665 -1.7188165 0.1288379 0.0730186 0.1885240 -2.5676163 12 S -1.9515362 -0.0893910 -0.1777954 -0.1350737 -1.7883224 -0.0496752 -0.2501184 -0.1193314 -2.1616234 13 S -1.5971648 0.3092823 0.0597515 0.3689665 -1.7188165 -0.1288379 0.0730186 -0.1885240 -2.5676163 14 S -1.8732901 0.2543894 0.1581217 0.2151525 -1.6401615 -0.4460726 0.1824827 -0.5795059 -2.5642769 15 S -1.7764399 -0.1609596 0.0741919 -0.1760675 -2.3733067 -0.5882763 0.1696481 -0.4814055 -1.7116748 16 S -1.7764399 0.1609596 0.0741919 0.1760675 -2.3733067 0.5882763 0.1696481 0.4814055 -1.7116748 17 S -1.9515362 -0.0893910 -0.1777954 -0.1350737 -1.7883224 -0.0496752 -0.2501184 -0.1193314 -2.1616234 18 S -1.5971648 -0.3092823 0.0597515 -0.3689665 -1.7188165 0.1288379 0.0730186 0.1885240 -2.5676163 19 S -1.8732901 -0.2543894 0.1581217 -0.2151525 -1.6401615 0.4460726 0.1824827 0.5795059 -2.5642769 20 S -1.8732901 -0.2543894 0.1581217 -0.2151525 -1.6401615 0.4460726 0.1824827 0.5795059 -2.5642769 21 S -1.7764399 -0.1609596 0.0741919 -0.1760675 -2.3733067 -0.5882763 0.1696481 -0.4814055 -1.7116748 22 S -1.9515362 0.0893910 -0.1777954 0.1350737 -1.7883224 0.0496752 -0.2501184 0.1193314 -2.1616234 23 S -1.8732901 0.2543894 0.1581217 0.2151525 -1.6401615 -0.4460726 0.1824827 -0.5795059 -2.5642769 24 S -1.7764399 0.1609596 0.0741919 0.1760675 -2.3733067 0.5882763 0.1696481 0.4814055 -1.7116748 25 S -1.9515362 0.0893910 -0.1777954 0.1350737 -1.7883224 0.0496752 -0.2501184 0.1193314 -2.1616234 26 S -1.5971648 0.3092823 0.0597515 0.3689665 -1.7188165 -0.1288379 0.0730186 -0.1885240 -2.5676163 27 I -2.1287308 0.0000000 0.3832699 -0.0000000 -1.6432943 0.0000000 0.2369786 0.0000000 -0.4807429 28 I -2.1287308 0.0000000 0.3832699 -0.0000000 -1.6432943 0.0000000 0.2369786 0.0000000 -0.4807429 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.127 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.849 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 15.255 ( 0.000 0.000 0.000) 0.000 15.470 ( 0.000 0.000 0.000) 0.000 15.645 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.688 ( 0.000 0.000 0.000) 0.000 15.884 ( 0.000 0.000 0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 16.109 ( 0.000 0.000 0.000) 0.000 16.130 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.735 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.366 -24.502 0.570) 24.512 0.524 ( 5.067 -24.711 3.218) 25.429 0.927 ( 23.806 -36.179 -2.707) 43.394 1.111 ( -1.131 1.103 -0.084) 1.582 1.244 ( -0.173 -0.533 0.537) 0.776 1.634 ( -0.360 -2.422 -0.283) 2.465 1.755 ( 4.857 -5.210 1.667) 7.315 2.031 ( -2.453 -1.415 0.124) 2.834 2.082 ( -0.644 -0.833 -1.118) 1.536 2.267 ( -0.170 0.646 1.065) 1.257 2.311 ( -5.127 6.498 1.250) 8.371 2.466 ( 2.074 4.028 -0.696) 4.584 2.526 ( -1.800 1.243 -0.851) 2.347 2.589 ( -0.582 0.346 -0.877) 1.108 2.615 ( 2.865 2.121 -0.627) 3.619 2.697 ( -1.651 6.023 0.667) 6.281 2.775 ( 3.408 3.131 -0.067) 4.628 3.000 ( 1.394 5.748 1.148) 6.025 3.040 ( -1.676 1.925 0.108) 2.555 3.078 ( 1.874 0.041 -2.115) 2.826 3.128 ( -0.729 -4.758 0.738) 4.870 3.218 ( -1.253 6.843 -1.343) 7.085 3.458 ( 1.628 -5.840 0.712) 6.105 3.615 ( -1.654 -3.511 0.764) 3.956 3.643 ( 0.435 3.310 0.559) 3.385 3.857 ( 1.329 -0.434 -0.452) 1.469 3.983 ( -0.937 -1.428 -0.268) 1.729 4.065 ( -2.340 2.502 3.078) 4.606 4.102 ( -0.243 -4.552 -0.488) 4.585 4.151 ( -0.352 -3.345 0.299) 3.377 4.216 ( -2.437 -2.113 -6.566) 7.315 4.267 ( 0.033 -0.582 0.542) 0.796 4.373 ( 0.034 0.470 0.490) 0.680 4.399 ( 2.932 0.786 6.420) 7.102 4.617 ( -2.200 -0.058 -7.623) 7.935 4.642 ( 3.627 3.824 2.616) 5.884 4.714 ( 0.468 -0.523 2.213) 2.321 4.985 ( -2.758 -0.857 2.162) 3.608 5.097 ( -2.026 0.144 -3.225) 3.811 5.155 ( 1.231 0.934 3.421) 3.754 5.190 ( 4.766 -0.600 -3.302) 5.829 5.422 ( -2.621 0.805 -3.052) 4.103 5.598 ( -2.484 -1.035 -3.996) 4.817 5.635 ( 0.763 -2.730 3.821) 4.758 5.888 ( -1.373 -1.471 2.440) 3.163 5.989 ( -2.242 1.006 -2.569) 3.555 6.095 ( -1.308 4.954 1.413) 5.315 6.145 ( 0.195 -4.318 -0.149) 4.325 6.181 ( 2.046 3.194 0.671) 3.853 6.269 ( -3.222 -1.751 2.667) 4.534 6.301 ( 0.751 -1.854 -0.764) 2.141 6.701 ( 0.520 4.056 -0.129) 4.091 7.008 ( -2.573 3.339 1.923) 4.634 7.094 ( -3.908 1.320 -0.131) 4.127 7.246 ( 2.220 1.421 1.733) 3.155 7.320 ( 3.856 4.236 -0.976) 5.811 7.572 ( 1.073 -4.386 -0.354) 4.530 7.648 ( -12.167 -6.112 2.496) 13.842 7.850 ( 5.081 4.125 0.220) 6.548 7.971 ( -2.156 3.404 1.029) 4.158 8.107 ( 13.131 5.735 -5.539) 15.362 8.270 ( -0.879 -0.637 5.120) 5.233 8.308 ( 2.518 -5.079 -1.005) 5.757 8.378 ( 0.755 -2.413 -3.812) 4.574 8.413 ( -0.149 0.337 -0.765) 0.849 8.465 ( -0.166 -0.966 -0.062) 0.982 8.775 ( 0.411 0.481 -0.214) 0.668 8.811 ( 0.539 1.917 0.585) 2.076 11.796 ( -0.203 -0.284 -0.703) 0.785 11.858 ( 0.260 -0.612 0.524) 0.846 11.862 ( 0.442 0.450 0.379) 0.736 12.028 ( -0.716 0.553 -0.355) 0.972 15.227 ( -0.594 -1.305 -0.570) 1.543 15.402 ( -5.149 -4.557 -2.988) 7.496 15.476 ( 0.026 1.645 6.849) 7.044 15.640 ( 1.874 1.449 -1.545) 2.828 15.666 ( 0.068 1.288 -1.550) 2.016 15.709 ( 4.031 1.751 0.034) 4.395 15.960 ( 0.299 -0.557 0.215) 0.668 16.094 ( -2.148 0.842 -1.793) 2.922 16.141 ( 2.220 -0.922 0.237) 2.416 16.211 ( 0.056 -1.672 -3.162) 3.577 16.251 ( -3.329 -2.494 4.697) 6.274 16.759 ( -5.779 2.541 -0.148) 6.315 ======================= Grid point 2 (3/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 3.426 -20.142 -0.638) 20.441 0.970 ( 1.953 -18.105 5.164) 18.928 1.073 ( -1.451 1.131 0.022) 1.840 1.256 ( 0.791 -3.931 -2.282) 4.614 1.674 ( -0.501 -2.053 -1.882) 2.830 1.707 ( 16.540 -22.741 -2.367) 28.220 1.919 ( 3.413 -7.132 4.617) 9.156 2.023 ( -4.263 -0.380 1.569) 4.558 2.098 ( -0.091 -2.206 -1.636) 2.748 2.151 ( -7.021 2.717 0.706) 7.562 2.278 ( 3.440 -0.649 1.075) 3.663 2.413 ( 4.289 3.764 -3.583) 6.738 2.485 ( -2.657 -0.102 -0.269) 2.673 2.544 ( 1.048 6.278 1.915) 6.646 2.545 ( -3.562 1.451 -2.292) 4.477 2.592 ( 1.328 7.627 -0.034) 7.742 2.737 ( 4.718 4.376 0.908) 6.499 2.864 ( 0.344 7.996 3.393) 8.693 2.988 ( 0.297 3.303 -1.012) 3.468 3.063 ( 0.289 0.543 0.478) 0.779 3.190 ( 2.307 -3.786 -5.029) 6.705 3.216 ( -1.411 -4.027 0.840) 4.349 3.516 ( -0.526 7.209 1.020) 7.300 3.539 ( -1.849 -1.665 1.811) 3.078 3.709 ( -1.107 -4.457 0.052) 4.592 3.874 ( -1.237 2.407 1.293) 2.999 3.972 ( 1.473 1.384 0.690) 2.136 4.019 ( -2.800 -2.542 0.540) 3.820 4.144 ( -1.698 -1.374 -1.082) 2.438 4.197 ( -1.763 -2.222 0.918) 2.982 4.258 ( 1.799 -0.456 -1.323) 2.279 4.285 ( -0.714 -1.087 -1.052) 1.673 4.381 ( 1.039 -1.400 -0.880) 1.953 4.397 ( 1.905 1.169 1.550) 2.720 4.593 ( -3.546 -1.295 -1.454) 4.045 4.610 ( 1.745 1.737 -2.840) 3.759 4.751 ( 0.867 -2.073 2.317) 3.228 4.946 ( -1.197 3.112 0.694) 3.406 5.082 ( -0.373 -0.239 -4.067) 4.091 5.148 ( 2.362 1.563 3.487) 4.492 5.251 ( 2.514 -1.757 -0.096) 3.068 5.400 ( 0.648 0.021 -1.821) 1.933 5.583 ( -1.599 -0.260 -3.118) 3.514 5.702 ( 1.652 -2.224 4.292) 5.108 5.899 ( -6.354 0.010 2.717) 6.910 5.936 ( -0.882 0.227 -3.651) 3.762 6.006 ( -0.851 3.210 0.335) 3.338 6.130 ( 2.816 3.375 0.893) 4.485 6.205 ( -1.994 0.137 0.779) 2.145 6.291 ( -0.689 -4.569 0.593) 4.658 6.349 ( 0.062 -2.440 0.441) 2.481 6.617 ( -0.967 4.197 -0.507) 4.336 6.909 ( -4.152 2.725 0.409) 4.983 7.071 ( 0.195 0.655 1.174) 1.358 7.207 ( -0.534 3.339 -0.028) 3.381 7.277 ( 3.289 3.405 -1.508) 4.968 7.635 ( 2.789 0.344 -0.071) 2.811 7.649 ( -6.718 -2.616 0.343) 7.217 7.790 ( 0.868 2.640 -1.135) 3.002 7.968 ( 3.078 -0.515 1.958) 3.685 8.125 ( 2.765 -0.475 -0.228) 2.815 8.276 ( 0.345 -0.078 2.222) 2.250 8.345 ( -1.366 1.722 -0.816) 2.344 8.417 ( -0.040 -0.369 -2.203) 2.234 8.450 ( -0.417 -5.962 0.467) 5.995 8.514 ( 2.937 -2.735 -1.203) 4.190 8.758 ( 0.094 1.850 -0.898) 2.059 8.775 ( 0.884 2.534 1.203) 2.941 11.799 ( -0.558 -0.593 -0.882) 1.200 11.852 ( 0.505 0.922 0.863) 1.360 11.883 ( 0.715 -1.335 0.527) 1.604 12.005 ( -0.658 1.213 -0.564) 1.491 15.253 ( -0.875 -2.347 -0.873) 2.652 15.403 ( 0.254 2.653 1.869) 3.256 15.487 ( -1.051 -3.547 0.045) 3.699 15.627 ( 2.026 1.468 -0.408) 2.535 15.646 ( -1.491 0.266 -1.447) 2.095 15.710 ( 1.215 0.741 0.440) 1.489 15.968 ( 0.246 -0.057 0.124) 0.282 16.052 ( -1.695 1.375 -1.057) 2.425 16.188 ( 3.065 -1.065 0.805) 3.343 16.236 ( -2.220 -1.544 6.448) 6.992 16.285 ( 0.548 -2.896 -5.935) 6.627 16.634 ( -4.609 5.362 0.236) 7.075 ======================= Grid point 3 (4/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.494 0.716 0.026) 0.870 1.109 ( 1.042 -1.704 0.386) 2.034 1.294 ( -0.175 -15.145 1.495) 15.219 1.416 ( 3.528 -6.972 -0.938) 7.870 1.635 ( -0.205 5.564 -0.740) 5.617 1.923 ( 1.503 -0.638 -1.640) 2.315 1.959 ( -5.460 -0.624 3.984) 6.788 2.068 ( -3.639 -1.432 0.864) 4.005 2.137 ( 5.353 -2.398 -0.430) 5.882 2.175 ( -1.240 -5.704 -0.397) 5.851 2.350 ( 0.944 10.089 -1.988) 10.327 2.385 ( 0.546 -2.123 1.498) 2.655 2.422 ( 1.603 0.683 -4.158) 4.508 2.487 ( -0.130 3.804 4.388) 5.809 2.500 ( 0.754 0.087 -1.460) 1.646 2.509 ( 0.812 -2.008 -2.889) 3.611 2.701 ( 0.622 3.487 0.645) 3.601 2.853 ( 3.037 -3.565 4.376) 6.409 2.963 ( 6.725 -1.906 -1.336) 7.116 3.119 ( 1.047 -4.160 0.846) 4.373 3.230 ( -4.357 0.532 -0.412) 4.408 3.278 ( 1.376 -3.133 -2.945) 4.515 3.353 ( -2.458 9.080 -0.569) 9.424 3.475 ( -3.302 3.877 2.486) 5.667 3.742 ( -1.757 -0.457 -0.204) 1.827 3.811 ( 0.408 0.627 0.609) 0.964 4.018 ( -0.077 -2.739 0.766) 2.845 4.037 ( 0.418 -0.309 0.165) 0.545 4.135 ( -0.728 0.874 0.164) 1.149 4.213 ( -2.396 -1.583 1.744) 3.359 4.236 ( 1.399 2.420 -2.089) 3.490 4.269 ( -1.170 0.625 -1.140) 1.749 4.415 ( 1.020 -0.471 -1.120) 1.586 4.437 ( 1.845 -1.853 0.580) 2.678 4.594 ( -0.006 -0.274 4.063) 4.073 4.604 ( -1.093 -0.732 -4.980) 5.151 4.803 ( -0.648 -3.126 0.858) 3.306 4.877 ( 1.072 3.918 -0.111) 4.063 5.076 ( -0.198 0.135 -1.521) 1.540 5.155 ( 0.999 0.098 1.564) 1.859 5.284 ( 0.562 -0.449 0.058) 0.721 5.417 ( 0.660 -0.614 -1.156) 1.466 5.589 ( 1.282 -0.708 -0.241) 1.484 5.737 ( 0.430 -0.132 2.007) 2.057 5.803 ( -4.513 2.312 -0.560) 5.101 5.944 ( 0.309 -1.017 -2.306) 2.539 5.972 ( -1.160 0.704 2.188) 2.574 6.118 ( 1.771 0.330 -1.266) 2.202 6.172 ( -0.880 1.226 2.269) 2.725 6.309 ( -1.906 0.070 -0.656) 2.017 6.443 ( 2.318 -5.053 0.246) 5.565 6.539 ( -1.575 3.342 0.025) 3.695 6.853 ( -1.793 0.532 -0.066) 1.872 7.060 ( 1.496 1.447 0.904) 2.269 7.146 ( -1.447 1.301 -0.371) 1.981 7.256 ( 1.394 1.098 -0.781) 1.939 7.602 ( -0.760 1.592 -0.061) 1.765 7.653 ( -0.579 -0.602 0.130) 0.846 7.780 ( 0.170 -0.046 -0.496) 0.527 8.007 ( 1.879 -0.552 0.340) 1.987 8.173 ( 1.115 -2.299 1.351) 2.890 8.260 ( -1.485 1.823 -1.860) 2.998 8.309 ( 0.024 0.506 1.826) 1.895 8.414 ( -0.278 -0.002 -0.961) 1.000 8.544 ( -0.503 -4.109 1.364) 4.359 8.577 ( 1.716 -0.955 -1.910) 2.739 8.720 ( 1.313 2.029 0.362) 2.444 8.739 ( -0.873 1.407 -0.101) 1.659 11.804 ( -0.376 -0.403 -0.477) 0.729 11.842 ( 0.341 0.566 0.456) 0.803 11.917 ( 0.641 -1.266 0.565) 1.528 11.974 ( -0.571 1.190 -0.558) 1.433 15.294 ( -0.897 -3.102 -1.040) 3.393 15.348 ( 0.753 3.612 1.397) 3.945 15.551 ( 0.098 -3.273 0.138) 3.277 15.616 ( -0.230 1.855 -0.546) 1.947 15.625 ( 0.089 0.102 -0.256) 0.290 15.707 ( 0.246 0.263 0.143) 0.388 15.969 ( 0.112 0.051 0.002) 0.123 16.019 ( -0.622 0.710 -0.288) 0.987 16.225 ( 2.795 0.226 0.752) 2.903 16.243 ( -2.561 -1.150 1.914) 3.397 16.350 ( 1.503 -3.184 -2.818) 4.510 16.504 ( -2.906 4.271 0.700) 5.213 ======================= Grid point 8 (5/72) ======================= q-point: ( 0.14 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 19.608 -0.000 -5.348) 20.324 0.481 ( 25.750 -0.000 0.471) 25.754 0.781 ( 41.657 -0.000 2.323) 41.722 1.105 ( -2.165 0.000 -0.389) 2.200 1.232 ( -1.393 0.000 0.284) 1.422 1.623 ( 0.740 -0.000 3.092) 3.180 1.766 ( 8.599 -0.000 0.727) 8.629 1.992 ( -3.431 0.000 -0.611) 3.485 2.062 ( -1.641 0.000 -2.143) 2.699 2.252 ( -0.320 0.000 0.058) 0.325 2.354 ( -4.462 0.000 1.815) 4.817 2.434 ( -6.842 0.000 0.625) 6.871 2.565 ( 1.380 -0.000 0.570) 1.493 2.572 ( 3.125 -0.000 0.746) 3.212 2.706 ( -5.139 0.000 -5.092) 7.235 2.799 ( 1.611 -0.000 -2.277) 2.790 2.812 ( -1.273 0.000 0.099) 1.277 2.999 ( -0.319 0.000 1.972) 1.998 3.056 ( 1.085 -0.000 0.315) 1.130 3.078 ( 1.876 -0.000 -0.549) 1.955 3.121 ( 0.778 -0.000 -0.543) 0.949 3.281 ( -1.116 0.000 -0.696) 1.315 3.431 ( 4.283 -0.000 -1.840) 4.661 3.546 ( -0.465 0.000 1.358) 1.435 3.679 ( -1.750 0.000 2.623) 3.153 3.872 ( 1.250 -0.000 -0.497) 1.345 3.937 ( -3.659 0.000 0.032) 3.659 4.039 ( 0.810 -0.000 2.112) 2.262 4.108 ( 1.138 -0.000 1.162) 1.626 4.119 ( -1.626 0.000 -0.187) 1.637 4.129 ( 1.892 -0.000 0.118) 1.896 4.284 ( 1.299 -0.000 -6.125) 6.261 4.373 ( -1.683 0.000 -1.236) 2.088 4.462 ( 2.143 -0.000 11.301) 11.502 4.592 ( -3.746 0.000 -1.764) 4.141 4.685 ( -3.295 0.000 1.535) 3.635 4.780 ( -0.834 0.000 -2.697) 2.823 4.886 ( 0.224 -0.000 3.344) 3.351 5.073 ( 1.299 -0.000 -2.227) 2.578 5.175 ( 2.768 -0.000 -1.108) 2.981 5.237 ( 3.936 -0.000 -9.038) 9.858 5.357 ( 1.802 -0.000 -0.946) 2.035 5.572 ( -2.755 0.000 -0.651) 2.831 5.604 ( 0.629 -0.000 0.433) 0.764 5.861 ( -2.326 0.000 5.102) 5.607 5.985 ( -1.353 0.000 -3.538) 3.788 6.101 ( 0.411 -0.000 -0.363) 0.548 6.133 ( -4.685 0.000 -0.978) 4.786 6.192 ( -1.070 0.000 4.313) 4.443 6.261 ( -3.835 0.000 -1.985) 4.318 6.268 ( 3.425 -0.000 3.931) 5.214 6.760 ( -0.928 0.000 -0.529) 1.069 6.993 ( -5.513 0.000 0.516) 5.537 7.066 ( -8.150 0.000 3.939) 9.052 7.373 ( 6.737 -0.000 8.993) 11.237 7.396 ( -1.350 0.000 2.175) 2.560 7.447 ( 5.130 -0.000 -2.419) 5.672 7.514 ( 0.412 -0.000 -1.278) 1.343 7.898 ( 3.415 -0.000 2.594) 4.289 8.033 ( -6.604 0.000 2.371) 7.017 8.201 ( 1.305 -0.000 -0.261) 1.331 8.291 ( 2.526 -0.000 -12.331) 12.587 8.348 ( 0.832 -0.000 -2.834) 2.953 8.376 ( -3.183 0.000 1.078) 3.360 8.408 ( -0.462 0.000 -0.557) 0.724 8.463 ( 3.290 -0.000 -1.699) 3.703 8.799 ( 2.265 -0.000 -0.203) 2.274 8.834 ( 0.599 -0.000 0.581) 0.834 11.789 ( -0.744 0.000 -1.378) 1.566 11.856 ( 0.647 -0.000 0.612) 0.891 11.876 ( 0.840 -0.000 0.983) 1.293 12.018 ( -0.706 0.000 -0.563) 0.903 15.219 ( 0.138 -0.000 0.262) 0.296 15.248 ( -0.622 0.000 -0.783) 1.000 15.493 ( -1.348 0.000 5.876) 6.028 15.639 ( -0.563 0.000 -0.196) 0.596 15.689 ( 0.179 -0.000 -0.342) 0.386 15.896 ( 1.303 -0.000 -0.371) 1.355 15.960 ( 0.976 -0.000 0.538) 1.115 16.062 ( 2.170 -0.000 -18.270) 18.398 16.125 ( 1.610 -0.000 0.744) 1.774 16.134 ( 0.654 -0.000 -1.894) 2.003 16.209 ( -2.875 0.000 16.937) 17.179 16.696 ( -4.091 0.000 0.304) 4.102 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.29 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 18.219 -8.996 6.451) 21.319 0.707 ( 16.473 -13.983 -4.896) 22.155 1.075 ( -2.515 0.792 -0.395) 2.666 1.216 ( -0.045 -1.136 -1.371) 1.781 1.447 ( 27.292 -23.419 -0.198) 35.964 1.642 ( 0.771 -1.420 2.223) 2.748 1.873 ( 4.482 -1.742 3.228) 5.792 1.974 ( -1.834 -1.593 0.020) 2.429 2.056 ( -2.024 -1.928 -3.043) 4.132 2.164 ( -5.431 4.542 -1.112) 7.167 2.333 ( 3.323 1.473 2.151) 4.224 2.402 ( -7.662 -1.781 -0.102) 7.867 2.539 ( 0.682 4.766 -2.337) 5.352 2.564 ( -1.118 2.483 1.238) 2.992 2.634 ( 0.302 -0.501 -1.121) 1.265 2.695 ( 0.443 7.196 0.775) 7.251 2.829 ( 2.591 0.806 0.161) 2.719 2.980 ( -2.498 4.576 0.621) 5.251 3.065 ( 2.747 2.234 -0.529) 3.580 3.102 ( 0.912 1.606 0.084) 1.849 3.125 ( 0.247 -3.955 1.744) 4.330 3.205 ( 0.862 4.228 -3.901) 5.817 3.491 ( 0.748 -3.017 0.321) 3.125 3.579 ( -2.275 -0.733 2.952) 3.798 3.644 ( -1.042 0.369 1.034) 1.513 3.873 ( -0.358 -0.538 -1.272) 1.427 3.926 ( -4.276 -1.704 1.730) 4.918 4.053 ( -0.632 2.252 3.845) 4.501 4.078 ( -0.131 0.379 -1.638) 1.686 4.151 ( -0.196 -2.687 0.648) 2.771 4.201 ( 1.207 -4.790 0.344) 4.951 4.303 ( 1.783 -0.189 -4.471) 4.817 4.361 ( 0.591 -1.187 -0.761) 1.529 4.453 ( 1.622 3.009 3.142) 4.643 4.540 ( -3.097 0.183 -4.328) 5.325 4.676 ( -1.154 2.080 -3.569) 4.289 4.736 ( 1.305 -0.305 5.055) 5.229 4.933 ( -2.898 -2.251 1.308) 3.896 5.078 ( 0.156 0.320 -4.032) 4.048 5.203 ( 3.666 0.689 1.200) 3.919 5.270 ( 4.683 -0.077 -1.479) 4.912 5.395 ( 0.713 -1.243 -3.194) 3.501 5.544 ( -2.149 -0.700 -1.800) 2.889 5.655 ( 0.250 -3.780 2.905) 4.774 5.849 ( -3.943 -0.496 3.993) 5.634 5.943 ( -1.024 1.874 -3.093) 3.759 6.048 ( -4.436 3.066 -0.875) 5.463 6.144 ( -1.639 -3.581 -0.130) 3.940 6.198 ( -1.334 2.233 -0.030) 2.601 6.215 ( -1.944 -2.598 2.295) 3.974 6.317 ( 1.600 -1.378 2.160) 3.021 6.690 ( -1.425 4.907 -0.816) 5.175 6.941 ( -4.420 4.430 1.678) 6.479 7.001 ( -4.843 -4.054 0.772) 6.363 7.314 ( 2.645 4.786 0.085) 5.469 7.391 ( 3.033 5.625 -0.397) 6.403 7.520 ( -2.624 -4.526 3.044) 6.052 7.617 ( 4.322 -4.728 -1.022) 6.487 7.889 ( -2.180 6.280 0.122) 6.649 7.960 ( 1.450 -2.345 3.799) 4.694 8.221 ( 3.122 6.145 -5.824) 9.024 8.273 ( 0.123 -3.250 4.651) 5.675 8.336 ( -3.529 -0.529 -4.029) 5.382 8.360 ( 2.126 -1.038 -0.119) 2.369 8.409 ( -0.086 -0.356 -1.595) 1.637 8.505 ( 3.585 -1.681 -0.818) 4.043 8.795 ( 1.848 2.071 -0.439) 2.810 8.827 ( 0.833 1.556 0.953) 2.006 11.784 ( -0.677 -0.360 -1.162) 1.392 11.869 ( 0.758 -0.288 1.181) 1.432 11.878 ( 0.923 0.352 0.632) 1.173 12.010 ( -1.079 0.227 -0.807) 1.366 15.211 ( -0.746 -0.835 -0.830) 1.394 15.339 ( -1.799 -6.783 -0.200) 7.020 15.474 ( -1.064 1.436 3.091) 3.571 15.636 ( -0.746 -0.136 -0.609) 0.973 15.678 ( 0.759 1.469 -0.733) 1.808 15.794 ( 4.350 6.466 -0.828) 7.837 15.971 ( 0.826 -0.030 0.421) 0.928 16.069 ( -0.136 1.444 -2.294) 2.715 16.162 ( 0.054 -3.031 -0.963) 3.180 16.202 ( -0.048 -2.696 -2.659) 3.787 16.224 ( -0.566 -2.663 6.362) 6.920 16.644 ( -6.442 1.578 0.230) 6.636 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.43 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 1.559 -4.119 2.341) 4.988 1.047 ( 1.259 -4.513 1.351) 4.876 1.076 ( 13.839 -11.611 -0.528) 18.073 1.297 ( 4.783 -8.736 -1.427) 10.062 1.672 ( -0.563 -2.118 -0.370) 2.223 1.863 ( -6.040 -0.140 5.488) 8.162 1.899 ( -0.056 -4.571 -1.441) 4.793 2.025 ( -2.188 0.394 0.380) 2.255 2.084 ( 5.346 -6.978 -0.901) 8.836 2.164 ( 7.372 -0.984 -3.129) 8.068 2.338 ( 3.038 -2.220 -0.928) 3.875 2.366 ( -5.654 -2.084 -0.250) 6.031 2.455 ( -0.339 3.861 -2.960) 4.877 2.517 ( -0.577 1.395 0.227) 1.527 2.579 ( 0.535 6.040 1.088) 6.161 2.636 ( 2.730 5.102 2.539) 6.319 2.818 ( 0.877 7.385 0.395) 7.447 2.857 ( 2.442 0.537 2.982) 3.891 3.030 ( 3.975 1.571 -3.888) 5.778 3.079 ( 2.211 0.366 0.825) 2.388 3.190 ( -1.673 -2.169 1.900) 3.333 3.222 ( 2.302 -3.165 -4.062) 5.641 3.484 ( -2.109 6.589 1.270) 7.034 3.519 ( -2.131 1.613 2.650) 3.764 3.672 ( -3.367 -3.515 0.320) 4.878 3.856 ( -1.336 4.132 1.602) 4.629 3.918 ( -3.936 -4.685 -1.181) 6.232 4.019 ( -1.024 -1.474 1.511) 2.346 4.102 ( -0.332 -1.520 -0.701) 1.707 4.179 ( -0.884 -0.657 0.841) 1.385 4.246 ( -2.015 -0.241 0.502) 2.090 4.310 ( 2.021 0.987 -3.262) 3.963 4.411 ( 1.187 -2.183 1.006) 2.680 4.438 ( 3.558 0.920 -0.978) 3.803 4.540 ( -1.442 -2.996 -3.812) 5.059 4.617 ( -0.949 2.002 -0.241) 2.229 4.767 ( 0.776 -0.742 3.214) 3.388 4.930 ( -0.953 0.633 -0.108) 1.149 5.068 ( -0.084 -0.015 -3.401) 3.402 5.207 ( 3.311 2.230 2.119) 4.520 5.306 ( 3.564 0.570 0.655) 3.668 5.414 ( 1.291 -0.552 -2.694) 3.038 5.568 ( 0.908 -2.465 -0.334) 2.649 5.699 ( -4.627 -1.143 2.567) 5.414 5.811 ( -1.885 0.734 0.434) 2.069 5.925 ( 0.471 -0.671 -3.257) 3.359 5.970 ( -2.979 0.939 0.457) 3.157 6.134 ( -3.874 0.292 2.059) 4.397 6.181 ( 0.047 0.698 1.405) 1.569 6.259 ( -1.868 -2.756 -0.532) 3.372 6.375 ( 1.975 -3.886 0.874) 4.446 6.589 ( -1.596 3.998 -0.794) 4.378 6.845 ( -2.822 2.132 0.652) 3.596 7.046 ( -2.355 -3.860 0.935) 4.618 7.229 ( 2.377 6.949 -0.273) 7.349 7.316 ( 0.890 4.129 -1.581) 4.510 7.546 ( -4.148 -1.848 1.576) 4.807 7.688 ( 2.264 1.014 0.119) 2.483 7.814 ( 2.852 1.165 -1.778) 3.557 8.014 ( 0.643 -1.055 2.885) 3.138 8.169 ( 2.192 1.229 -0.949) 2.686 8.278 ( -1.329 1.568 -1.898) 2.798 8.324 ( -0.171 0.110 4.279) 4.283 8.408 ( -0.246 -0.825 -0.614) 1.057 8.441 ( 0.055 -5.120 -2.346) 5.632 8.570 ( 2.668 -1.927 -1.054) 3.456 8.757 ( 0.160 2.981 -0.778) 3.085 8.796 ( 0.847 2.727 1.011) 3.030 11.787 ( -0.458 -0.726 -0.774) 1.156 11.863 ( 0.392 1.089 0.780) 1.396 11.902 ( 1.061 -1.237 0.875) 1.850 11.987 ( -0.987 0.986 -0.931) 1.677 15.232 ( -1.073 -2.328 -0.958) 2.737 15.409 ( -0.056 1.273 1.942) 2.323 15.464 ( -1.244 -4.416 -0.338) 4.600 15.622 ( -0.694 0.766 -1.181) 1.570 15.659 ( 1.189 1.308 0.002) 1.768 15.744 ( 2.464 2.850 0.286) 3.778 15.974 ( 0.310 0.289 0.241) 0.488 16.037 ( 0.107 1.563 -0.822) 1.769 16.201 ( -2.023 -1.445 2.561) 3.569 16.241 ( 1.479 -1.904 2.107) 3.202 16.289 ( 1.633 -3.462 -3.961) 5.509 16.537 ( -5.767 3.411 0.502) 6.719 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.57 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.952 -0.515 -0.138) 1.091 1.107 ( -0.750 -0.797 0.362) 1.153 1.400 ( 9.643 -8.859 1.200) 13.150 1.470 ( 2.047 -0.448 0.051) 2.096 1.658 ( 3.268 7.269 -2.546) 8.366 1.857 ( -5.053 -6.095 7.283) 10.757 1.955 ( 0.306 -5.330 -4.206) 6.796 2.042 ( 1.376 -3.426 -1.342) 3.929 2.102 ( -7.679 -2.747 2.034) 8.406 2.199 ( 1.932 1.543 -2.026) 3.197 2.347 ( -0.122 7.601 -1.359) 7.723 2.382 ( 1.519 -1.861 0.852) 2.549 2.423 ( -3.549 2.303 0.255) 4.238 2.484 ( 0.332 2.280 0.373) 2.334 2.522 ( 0.800 -0.555 -1.751) 2.003 2.542 ( 3.153 3.688 3.395) 5.922 2.689 ( -1.871 3.900 -1.357) 4.534 2.898 ( 3.257 0.733 -1.258) 3.568 3.046 ( -3.272 9.734 -0.065) 10.269 3.148 ( 2.608 -5.243 -0.270) 5.862 3.232 ( 5.774 -4.292 -3.110) 7.838 3.269 ( -0.456 1.661 2.882) 3.358 3.306 ( -1.519 3.759 -0.077) 4.056 3.471 ( 0.989 0.194 2.190) 2.411 3.708 ( -1.958 -3.498 0.492) 4.038 3.812 ( -0.281 0.690 0.092) 0.751 3.967 ( -3.033 -3.730 -0.195) 4.811 4.036 ( -4.151 -1.377 -0.172) 4.377 4.125 ( 2.482 -0.298 -2.180) 3.317 4.193 ( 0.106 -1.289 2.040) 2.415 4.223 ( -1.917 -0.645 1.382) 2.450 4.300 ( 3.065 1.474 -1.956) 3.923 4.424 ( -1.869 0.171 0.144) 1.883 4.457 ( 1.913 1.513 -0.922) 2.608 4.574 ( -0.601 -1.505 -3.007) 3.416 4.613 ( 0.464 -1.578 3.680) 4.031 4.792 ( -0.416 -2.013 0.910) 2.247 4.887 ( -0.190 3.505 -0.629) 3.566 5.069 ( 0.325 -0.333 -2.271) 2.319 5.189 ( 1.628 2.630 1.716) 3.537 5.315 ( 2.949 1.716 0.453) 3.442 5.427 ( 0.665 0.228 -0.556) 0.897 5.582 ( -3.250 0.916 -0.028) 3.377 5.690 ( -1.831 -2.779 0.454) 3.359 5.807 ( 1.911 -1.439 -0.725) 2.499 5.951 ( -1.208 -0.171 1.626) 2.033 5.965 ( 2.799 -1.372 -3.770) 4.892 6.102 ( -3.598 0.071 3.826) 5.252 6.159 ( -1.025 0.621 -0.232) 1.221 6.287 ( -0.121 -2.463 -0.736) 2.574 6.481 ( 1.589 -4.383 -0.143) 4.664 6.508 ( -1.592 3.497 -0.059) 3.843 6.821 ( -1.413 -1.617 0.226) 2.159 7.095 ( 0.994 -0.701 0.874) 1.498 7.127 ( 0.232 3.352 -0.728) 3.438 7.254 ( -1.098 2.298 -0.699) 2.641 7.542 ( -3.397 -1.950 0.959) 4.033 7.678 ( 1.276 0.690 -0.571) 1.559 7.830 ( 4.879 1.878 -0.435) 5.246 8.008 ( -2.044 1.100 0.592) 2.396 8.197 ( 0.874 -0.169 0.976) 1.321 8.241 ( 0.028 -0.558 -1.631) 1.725 8.316 ( 0.246 1.146 1.173) 1.658 8.418 ( 0.826 -0.182 0.194) 0.868 8.534 ( -0.602 -4.429 0.587) 4.508 8.602 ( 1.291 0.722 -1.466) 2.082 8.692 ( -2.339 2.422 -0.939) 3.496 8.761 ( 1.209 1.735 0.940) 2.315 11.800 ( -0.019 -0.920 -0.275) 0.960 11.845 ( -0.040 1.012 0.266) 1.047 11.930 ( 0.614 -0.081 0.692) 0.929 11.962 ( -0.561 0.109 -0.687) 0.894 15.273 ( -0.966 -3.266 -0.826) 3.505 15.360 ( 0.256 3.211 0.922) 3.351 15.548 ( -0.433 -4.226 0.178) 4.252 15.594 ( -0.614 1.578 -1.006) 1.969 15.648 ( 0.870 0.964 0.485) 1.386 15.724 ( 1.342 1.502 0.282) 2.034 15.970 ( -0.022 0.230 0.107) 0.255 16.021 ( 0.660 0.259 -0.210) 0.739 16.196 ( -2.417 -0.238 1.159) 2.691 16.281 ( 2.825 0.071 -0.607) 2.890 16.363 ( 0.420 -1.729 -1.090) 2.087 16.451 ( -2.773 -0.625 0.700) 2.927 ======================= Grid point 12 (9/72) ======================= q-point: (-0.29 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.033 -1.440 -0.031) 1.440 1.084 ( -0.902 3.364 -0.039) 3.483 1.356 ( 1.532 15.868 -2.135) 16.084 1.381 ( 2.294 11.872 1.387) 12.170 1.653 ( 0.896 -5.934 0.499) 6.022 1.872 ( -3.195 4.007 1.936) 5.479 1.984 ( -4.377 3.164 -0.405) 5.416 2.102 ( 5.482 2.346 -3.188) 6.762 2.164 ( 5.810 -1.566 -0.959) 6.094 2.197 ( 1.292 6.125 -0.332) 6.268 2.285 ( -6.834 -2.166 1.010) 7.240 2.326 ( -3.657 -12.975 2.516) 13.713 2.399 ( -0.686 8.038 1.015) 8.131 2.453 ( -2.379 -0.526 -1.368) 2.795 2.533 ( 3.797 -0.298 0.780) 3.888 2.568 ( 3.592 -1.650 2.172) 4.510 2.656 ( -2.321 0.208 -0.283) 2.348 2.729 ( -6.797 3.169 -3.129) 8.126 2.953 ( 1.828 -1.489 -0.617) 2.437 3.099 ( -0.645 4.686 -1.056) 4.847 3.253 ( -1.397 3.359 2.166) 4.234 3.298 ( 2.320 2.597 1.672) 3.863 3.361 ( -0.662 -8.634 -1.893) 8.864 3.566 ( 4.394 -2.543 0.316) 5.087 3.777 ( 1.559 -0.081 0.566) 1.661 3.800 ( 0.077 -4.000 -0.989) 4.121 3.971 ( -2.566 2.040 -1.199) 3.491 4.019 ( -2.818 -2.715 0.225) 3.919 4.140 ( 1.009 0.233 -0.050) 1.037 4.234 ( -0.089 -1.018 0.753) 1.269 4.243 ( 1.522 -2.066 0.832) 2.697 4.320 ( 3.300 -0.273 -1.114) 3.494 4.381 ( -3.534 1.446 -0.290) 3.829 4.411 ( -0.022 3.581 0.799) 3.669 4.581 ( -0.283 -0.195 -1.493) 1.532 4.652 ( 2.316 -0.144 3.110) 3.881 4.797 ( -1.024 4.426 -0.512) 4.572 4.858 ( -0.803 -5.205 -0.446) 5.285 5.080 ( 0.276 -0.815 -0.219) 0.888 5.146 ( -0.146 2.619 -0.183) 2.629 5.288 ( 0.621 3.146 0.105) 3.208 5.406 ( -0.644 1.378 0.684) 1.668 5.571 ( -0.522 -2.102 0.635) 2.257 5.702 ( -1.355 -0.015 -1.597) 2.095 5.908 ( 4.412 -4.675 1.674) 6.643 5.957 ( 0.539 -1.204 0.560) 1.433 5.983 ( 2.252 1.412 -5.053) 5.710 6.059 ( -4.935 0.410 3.635) 6.142 6.176 ( 0.064 -2.829 -0.706) 2.916 6.345 ( 1.470 -2.064 0.087) 2.536 6.406 ( -1.406 5.575 -0.344) 5.760 6.558 ( 0.488 -2.949 -0.081) 2.991 6.874 ( 0.464 -4.241 0.233) 4.273 7.051 ( 0.474 1.921 -0.585) 2.064 7.170 ( 1.043 -3.306 -0.394) 3.489 7.217 ( -2.230 -0.273 0.898) 2.420 7.568 ( -1.873 -3.139 0.437) 3.681 7.692 ( 1.480 -1.064 -0.527) 1.898 7.824 ( 3.623 3.272 0.819) 4.950 7.952 ( -3.356 1.575 -0.491) 3.740 8.158 ( -0.246 3.023 -0.689) 3.110 8.288 ( 0.625 0.734 1.166) 1.513 8.310 ( 0.624 -2.830 -1.221) 3.144 8.428 ( 0.698 0.099 0.969) 1.198 8.526 ( -1.624 3.824 -0.366) 4.171 8.571 ( 0.332 3.544 0.263) 3.569 8.685 ( -1.297 -4.017 -0.550) 4.257 8.758 ( 0.555 -0.135 0.344) 0.667 11.816 ( 0.709 0.038 0.581) 0.917 11.831 ( -0.716 -0.275 -0.570) 0.955 11.907 ( -0.266 1.736 -0.213) 1.769 11.983 ( 0.241 -1.568 0.211) 1.600 15.307 ( 0.334 2.786 0.641) 2.878 15.331 ( -0.582 -3.738 -0.897) 3.887 15.548 ( -0.167 2.655 -0.026) 2.660 15.596 ( -0.692 -1.295 -0.159) 1.477 15.652 ( 1.009 -0.568 0.628) 1.317 15.709 ( 0.232 0.966 -0.040) 0.994 15.967 ( -0.099 0.046 0.046) 0.119 16.043 ( 1.408 -1.501 0.319) 2.082 16.172 ( -2.254 0.602 -0.484) 2.383 16.287 ( 2.677 1.893 -3.539) 4.824 16.325 ( -2.123 2.146 3.746) 4.810 16.543 ( 1.229 -6.878 -0.268) 6.992 ======================= Grid point 13 (10/72) ======================= q-point: (-0.14 0.14 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.000 18.213 -0.000) 18.213 0.973 ( 0.000 23.010 -0.000) 23.010 1.087 ( -0.000 -1.306 0.000) 1.306 1.263 ( 0.000 2.688 -0.000) 2.688 1.503 ( 0.000 32.489 -0.000) 32.489 1.697 ( 0.000 2.193 -0.000) 2.193 1.849 ( 0.000 7.188 -0.000) 7.188 2.087 ( 0.000 2.916 -0.000) 2.916 2.115 ( 0.000 2.598 -0.000) 2.598 2.216 ( -0.000 -3.754 0.000) 3.754 2.248 ( -0.000 -0.043 0.000) 0.043 2.350 ( -0.000 -6.251 0.000) 6.251 2.499 ( -0.000 -4.048 0.000) 4.048 2.535 ( -0.000 -1.674 0.000) 1.674 2.595 ( -0.000 -7.433 0.000) 7.433 2.610 ( -0.000 -1.514 0.000) 1.514 2.670 ( -0.000 -5.660 0.000) 5.660 2.837 ( -0.000 -9.872 0.000) 9.872 2.999 ( -0.000 -2.469 0.000) 2.469 3.059 ( -0.000 -1.151 0.000) 1.151 3.173 ( 0.000 3.822 -0.000) 3.822 3.230 ( 0.000 4.519 -0.000) 4.519 3.511 ( -0.000 -7.155 0.000) 7.155 3.562 ( 0.000 3.608 -0.000) 3.608 3.718 ( 0.000 4.655 -0.000) 4.655 3.894 ( 0.000 3.525 -0.000) 3.525 3.937 ( -0.000 -5.964 0.000) 5.964 4.051 ( -0.000 -1.308 0.000) 1.308 4.146 ( -0.000 -0.287 0.000) 0.287 4.215 ( 0.000 2.707 -0.000) 2.707 4.251 ( 0.000 3.354 -0.000) 3.354 4.329 ( 0.000 3.181 -0.000) 3.181 4.348 ( -0.000 -1.855 0.000) 1.855 4.374 ( -0.000 -0.542 0.000) 0.542 4.584 ( -0.000 -0.865 0.000) 0.865 4.659 ( 0.000 1.242 -0.000) 1.242 4.721 ( 0.000 2.137 -0.000) 2.137 4.961 ( -0.000 -4.879 0.000) 4.879 5.104 ( 0.000 1.051 -0.000) 1.051 5.106 ( -0.000 -1.725 0.000) 1.725 5.225 ( 0.000 3.465 -0.000) 3.465 5.398 ( -0.000 -0.988 0.000) 0.988 5.615 ( -0.000 -1.693 0.000) 1.693 5.668 ( 0.000 2.388 -0.000) 2.388 5.936 ( 0.000 3.021 -0.000) 3.021 5.990 ( -0.000 -0.995 0.000) 0.995 6.018 ( -0.000 -3.227 0.000) 3.227 6.075 ( -0.000 -5.776 0.000) 5.776 6.220 ( 0.000 0.298 -0.000) 0.298 6.292 ( 0.000 3.690 -0.000) 3.690 6.355 ( 0.000 2.289 -0.000) 2.289 6.625 ( -0.000 -4.206 0.000) 4.206 6.963 ( -0.000 -4.072 0.000) 4.072 7.050 ( -0.000 -1.924 0.000) 1.924 7.231 ( -0.000 -1.866 0.000) 1.866 7.233 ( -0.000 -2.855 0.000) 2.855 7.605 ( -0.000 -1.004 0.000) 1.004 7.734 ( -0.000 -1.803 0.000) 1.803 7.777 ( 0.000 2.347 -0.000) 2.347 7.928 ( -0.000 -1.498 0.000) 1.498 8.090 ( 0.000 4.063 -0.000) 4.063 8.270 ( 0.000 0.667 -0.000) 0.667 8.359 ( -0.000 -0.770 0.000) 0.770 8.420 ( 0.000 1.356 -0.000) 1.356 8.438 ( 0.000 3.945 -0.000) 3.945 8.499 ( 0.000 3.389 -0.000) 3.389 8.756 ( -0.000 -3.671 0.000) 3.671 8.767 ( -0.000 -0.437 0.000) 0.437 11.807 ( 0.000 0.712 -0.000) 0.712 11.845 ( -0.000 -1.041 0.000) 1.041 11.876 ( 0.000 1.396 -0.000) 1.396 12.012 ( -0.000 -1.357 0.000) 1.357 15.263 ( 0.000 2.224 -0.000) 2.224 15.396 ( -0.000 -3.574 0.000) 3.574 15.497 ( 0.000 2.693 -0.000) 2.693 15.606 ( -0.000 -0.694 0.000) 0.694 15.670 ( -0.000 -0.375 0.000) 0.375 15.694 ( 0.000 0.533 -0.000) 0.533 15.966 ( 0.000 0.141 -0.000) 0.141 16.088 ( -0.000 -2.036 0.000) 2.036 16.139 ( 0.000 1.255 -0.000) 1.255 16.249 ( 0.000 2.524 -0.000) 2.524 16.290 ( 0.000 1.433 -0.000) 1.433 16.681 ( -0.000 -6.988 0.000) 6.988 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 17.778 -0.000 -4.221) 18.273 0.919 ( 21.757 -0.000 0.311) 21.759 1.059 ( -2.037 0.000 -0.838) 2.203 1.195 ( -2.390 0.000 -0.005) 2.390 1.484 ( 30.108 -0.000 -0.945) 30.122 1.640 ( 3.253 -0.000 6.980) 7.701 1.921 ( 0.276 -0.000 4.831) 4.839 1.938 ( -0.975 0.000 -1.260) 1.593 2.011 ( 1.636 -0.000 -2.751) 3.201 2.182 ( -1.772 0.000 -5.423) 5.705 2.291 ( -8.058 0.000 0.081) 8.059 2.383 ( 3.408 -0.000 2.990) 4.534 2.572 ( -2.749 0.000 0.853) 2.878 2.580 ( -2.681 0.000 -0.283) 2.696 2.617 ( -1.875 0.000 -2.727) 3.309 2.759 ( -4.320 0.000 0.396) 4.338 2.848 ( 4.116 -0.000 0.010) 4.116 2.998 ( -0.312 0.000 2.150) 2.173 3.062 ( 0.028 -0.000 -0.538) 0.539 3.137 ( 0.954 -0.000 0.394) 1.032 3.138 ( 3.643 -0.000 1.710) 4.024 3.256 ( -1.291 0.000 -1.692) 2.129 3.447 ( -1.953 0.000 -3.554) 4.056 3.544 ( -1.377 0.000 1.746) 2.224 3.658 ( -1.217 0.000 2.524) 2.802 3.877 ( -2.159 0.000 1.798) 2.810 3.882 ( 0.546 -0.000 1.187) 1.307 4.053 ( 0.253 -0.000 0.147) 0.292 4.085 ( -2.018 0.000 1.164) 2.330 4.128 ( -1.443 0.000 -0.137) 1.450 4.185 ( 4.766 -0.000 0.342) 4.778 4.309 ( 2.802 -0.000 -4.229) 5.073 4.337 ( -1.057 0.000 -1.563) 1.886 4.522 ( -2.904 0.000 -1.063) 3.093 4.540 ( 3.803 -0.000 4.217) 5.678 4.617 ( -4.225 0.000 1.108) 4.368 4.748 ( -1.739 0.000 -2.916) 3.395 4.885 ( -0.838 0.000 -0.452) 0.952 5.081 ( 0.357 -0.000 -3.270) 3.290 5.252 ( 5.265 -0.000 -0.155) 5.267 5.316 ( 6.139 -0.000 -0.795) 6.190 5.383 ( 0.995 -0.000 -3.683) 3.815 5.529 ( -0.891 0.000 2.038) 2.224 5.613 ( -0.117 0.000 0.419) 0.435 5.815 ( -4.123 0.000 3.589) 5.466 5.958 ( -0.999 0.000 -0.508) 1.121 6.025 ( -6.163 0.000 -2.132) 6.521 6.070 ( -5.002 0.000 -1.939) 5.364 6.179 ( -1.056 0.000 2.836) 3.026 6.196 ( -1.322 0.000 -1.936) 2.344 6.335 ( 2.557 -0.000 4.115) 4.845 6.740 ( -0.952 0.000 -0.603) 1.127 6.901 ( -4.248 0.000 0.285) 4.257 6.951 ( -5.096 0.000 1.612) 5.345 7.338 ( -3.242 0.000 0.423) 3.270 7.486 ( 2.364 -0.000 4.753) 5.308 7.538 ( 4.192 -0.000 -1.548) 4.469 7.593 ( 9.327 -0.000 -0.926) 9.373 7.905 ( -7.463 0.000 1.697) 7.653 7.949 ( 0.257 -0.000 4.492) 4.500 8.225 ( 1.055 -0.000 -1.477) 1.815 8.308 ( 2.047 -0.000 -7.120) 7.408 8.311 ( -2.181 0.000 -3.250) 3.914 8.365 ( 0.508 -0.000 1.320) 1.414 8.396 ( -0.857 0.000 0.937) 1.270 8.513 ( 2.324 -0.000 -0.453) 2.368 8.846 ( 1.573 -0.000 0.225) 1.589 8.846 ( 1.549 -0.000 0.233) 1.567 11.773 ( -0.628 0.000 -1.091) 1.258 11.874 ( 1.001 -0.000 0.962) 1.388 11.893 ( 0.713 -0.000 0.863) 1.120 11.999 ( -1.068 0.000 -0.901) 1.397 15.224 ( 0.244 -0.000 0.351) 0.427 15.232 ( -0.765 0.000 -0.915) 1.193 15.480 ( -1.141 0.000 2.354) 2.616 15.627 ( -0.572 0.000 -0.267) 0.631 15.693 ( 0.259 -0.000 -0.403) 0.479 15.922 ( 1.426 -0.000 -0.265) 1.450 15.984 ( 1.320 -0.000 0.454) 1.396 16.056 ( 0.755 -0.000 -7.163) 7.203 16.141 ( 0.764 -0.000 -2.613) 2.722 16.168 ( 2.781 -0.000 1.010) 2.959 16.196 ( -1.939 0.000 8.525) 8.742 16.602 ( -5.919 0.000 0.252) 5.924 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 12.058 -9.770 -0.668) 15.534 1.029 ( -1.496 0.121 -0.494) 1.580 1.103 ( 16.666 -1.837 -1.867) 16.870 1.216 ( 3.711 -3.968 1.835) 5.734 1.589 ( -5.148 -2.438 2.438) 6.196 1.789 ( -4.860 0.109 -0.088) 4.862 1.907 ( 2.464 2.822 0.627) 3.798 2.015 ( 13.286 -9.200 0.813) 16.181 2.037 ( 0.951 0.950 1.953) 2.371 2.205 ( 9.582 -1.936 -6.985) 12.015 2.264 ( -5.043 -3.103 0.075) 5.922 2.382 ( 1.215 3.063 1.689) 3.703 2.500 ( -3.807 2.751 -2.116) 5.151 2.529 ( -3.355 1.277 1.455) 3.874 2.644 ( -2.186 -2.106 3.098) 4.337 2.675 ( -1.108 2.911 -1.872) 3.634 2.896 ( 4.319 -0.331 0.476) 4.358 2.948 ( -0.972 5.515 0.692) 5.642 3.092 ( 0.366 0.605 1.211) 1.402 3.115 ( 0.224 1.194 -0.528) 1.324 3.153 ( 2.419 0.256 2.370) 3.396 3.220 ( 1.454 0.828 -3.120) 3.540 3.463 ( -3.687 -3.732 -2.380) 5.761 3.556 ( -2.012 -1.250 2.842) 3.700 3.594 ( -3.252 3.187 1.376) 4.757 3.847 ( -0.196 0.565 0.702) 0.922 3.899 ( 0.251 0.536 1.022) 1.181 4.036 ( -3.278 4.254 -0.080) 5.371 4.078 ( 0.508 -1.856 -0.665) 2.036 4.132 ( -1.550 -3.622 0.014) 3.939 4.240 ( 1.882 0.700 1.568) 2.547 4.299 ( 1.145 -1.978 -2.854) 3.657 4.399 ( 1.388 -1.558 0.439) 2.133 4.472 ( 0.276 -0.222 -0.518) 0.628 4.514 ( 1.022 2.675 -1.327) 3.156 4.626 ( -2.747 0.452 -2.044) 3.454 4.771 ( 1.598 -2.586 3.544) 4.669 4.883 ( -2.770 -1.737 -1.667) 3.670 5.072 ( 0.095 0.666 -2.676) 2.759 5.281 ( 3.892 1.702 0.861) 4.334 5.364 ( 5.338 0.818 0.724) 5.448 5.402 ( 0.908 -1.294 -3.531) 3.869 5.545 ( 3.059 -1.249 1.738) 3.733 5.633 ( -3.768 -1.794 1.109) 4.319 5.783 ( -4.222 -0.875 0.677) 4.365 5.932 ( -0.037 1.520 -2.390) 2.832 5.949 ( -4.379 0.537 0.875) 4.497 6.056 ( -6.223 -2.742 -0.957) 6.867 6.186 ( -1.114 -0.130 0.201) 1.139 6.204 ( 0.678 -2.345 0.793) 2.566 6.358 ( 1.628 -0.251 2.361) 2.879 6.662 ( -1.113 5.275 -0.768) 5.446 6.878 ( -2.651 3.203 0.909) 4.256 6.937 ( -2.391 -5.119 0.516) 5.674 7.315 ( -1.349 0.505 -0.751) 1.625 7.423 ( 0.949 6.678 0.630) 6.775 7.548 ( 3.156 2.801 1.441) 4.459 7.710 ( 4.461 -1.314 -0.233) 4.657 7.835 ( -1.316 -0.137 -1.147) 1.751 7.976 ( -2.229 -2.630 4.742) 5.863 8.248 ( 1.386 4.749 -3.818) 6.249 8.261 ( -2.091 -1.960 -2.000) 3.495 8.301 ( 0.663 -1.358 2.171) 2.646 8.380 ( 0.088 -0.122 0.531) 0.552 8.409 ( 0.695 -1.325 -1.895) 2.415 8.550 ( 1.543 -1.970 -0.548) 2.562 8.829 ( 1.536 2.898 -0.183) 3.285 8.842 ( 0.583 1.875 0.506) 2.027 11.771 ( -0.409 -0.467 -0.720) 0.950 11.887 ( 0.635 0.578 1.103) 1.398 11.894 ( 0.778 -0.375 0.411) 0.957 11.988 ( -1.009 0.197 -0.877) 1.352 15.198 ( -0.522 -0.160 -0.586) 0.801 15.320 ( -0.460 -6.449 0.142) 6.467 15.460 ( -0.872 1.381 1.200) 2.026 15.623 ( -0.432 0.030 -0.383) 0.579 15.686 ( 0.366 0.826 -0.295) 0.950 15.855 ( 2.422 5.816 -0.304) 6.308 15.988 ( 0.771 0.612 0.302) 1.030 16.067 ( 0.243 0.916 -1.766) 2.004 16.158 ( 0.035 -2.068 -0.895) 2.254 16.192 ( -0.829 -1.984 2.288) 3.140 16.252 ( 2.108 -3.386 0.774) 4.063 16.532 ( -5.581 1.876 0.159) 5.890 ======================= Grid point 18 (13/72) ======================= q-point: ( 0.57 0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -1.034 0.168 -0.114) 1.054 1.082 ( 0.781 -1.385 0.529) 1.676 1.365 ( 12.758 -8.380 -1.809) 15.371 1.436 ( 11.257 -8.028 0.655) 13.842 1.595 ( -7.336 -5.906 4.731) 10.540 1.730 ( -10.552 -6.249 -2.447) 12.505 1.896 ( 4.697 2.060 1.377) 5.310 2.009 ( -2.954 0.173 -1.584) 3.356 2.072 ( -4.214 4.529 1.094) 6.283 2.271 ( 3.595 3.438 -2.590) 5.608 2.358 ( 3.534 -2.160 0.576) 4.181 2.410 ( 3.618 -2.736 -1.314) 4.723 2.444 ( 0.819 0.806 -1.204) 1.664 2.486 ( -2.284 0.137 -0.035) 2.288 2.549 ( -3.608 4.264 1.295) 5.734 2.682 ( 1.293 3.792 3.048) 5.034 2.794 ( -1.012 8.319 -1.863) 8.585 2.939 ( 2.922 0.680 0.674) 3.075 3.059 ( 0.551 -2.087 -1.072) 2.410 3.138 ( -0.096 0.817 -0.315) 0.881 3.208 ( 3.881 -3.422 -0.818) 5.238 3.270 ( 5.947 -2.785 1.601) 6.759 3.441 ( -7.680 -0.179 0.525) 7.700 3.461 ( -0.734 8.955 0.729) 9.015 3.608 ( -2.293 -4.537 0.143) 5.085 3.839 ( -0.410 2.287 1.593) 2.817 3.889 ( 1.007 -1.627 -1.980) 2.754 3.957 ( -4.711 -0.985 1.059) 4.928 4.121 ( 1.439 -2.385 -1.722) 3.275 4.170 ( -0.374 -1.569 0.290) 1.638 4.225 ( -0.423 1.626 1.487) 2.244 4.342 ( 2.777 0.438 -0.780) 2.917 4.400 ( -2.663 -0.092 0.210) 2.673 4.488 ( 0.623 -0.992 -1.284) 1.738 4.536 ( 2.729 -1.728 -1.408) 3.523 4.586 ( -2.297 -0.046 0.450) 2.342 4.794 ( 0.988 1.225 1.716) 2.328 4.908 ( -1.004 -1.463 -0.525) 1.850 5.063 ( 0.103 -0.224 -1.539) 1.558 5.262 ( 1.616 3.131 1.076) 3.684 5.392 ( 5.432 1.675 0.784) 5.738 5.424 ( 0.477 -0.839 -1.731) 1.982 5.562 ( -5.583 1.315 -0.089) 5.736 5.642 ( 2.899 -2.420 2.500) 4.529 5.766 ( -3.993 -1.952 -2.385) 5.044 5.934 ( -0.518 -0.520 0.895) 1.158 5.954 ( 3.486 -2.386 -2.024) 4.684 6.046 ( -5.617 -2.004 1.899) 6.258 6.169 ( -0.967 0.992 0.057) 1.387 6.250 ( 0.318 -1.553 0.182) 1.595 6.405 ( 0.883 -3.957 0.440) 4.078 6.565 ( -0.668 4.083 -0.425) 4.159 6.812 ( -0.972 1.783 0.299) 2.053 7.014 ( -1.056 -4.768 0.349) 4.896 7.270 ( 2.021 6.366 -0.062) 6.679 7.303 ( -1.482 4.279 -0.752) 4.590 7.510 ( -0.635 1.532 0.803) 1.842 7.702 ( -0.149 1.333 0.246) 1.363 7.894 ( 5.924 -0.668 -2.549) 6.484 7.990 ( -4.074 -1.042 3.131) 5.243 8.199 ( 1.226 0.729 -0.249) 1.448 8.242 ( -1.201 0.937 -1.634) 2.234 8.341 ( 0.286 0.368 2.289) 2.336 8.415 ( 0.693 -3.035 2.060) 3.733 8.434 ( -0.205 -2.701 -3.352) 4.309 8.598 ( 0.693 -1.804 -0.463) 1.987 8.759 ( 0.148 5.233 -0.305) 5.244 8.808 ( 0.272 2.224 0.395) 2.275 11.781 ( -0.143 -0.911 -0.292) 0.967 11.869 ( 0.128 1.362 0.304) 1.401 11.922 ( 0.721 -1.333 0.685) 1.663 11.968 ( -0.704 0.970 -0.715) 1.396 15.215 ( -0.500 -2.125 -0.415) 2.222 15.414 ( 0.148 1.889 1.129) 2.206 15.444 ( -0.698 -5.804 -0.545) 5.871 15.613 ( -0.169 0.807 -0.429) 0.929 15.671 ( 0.261 1.063 0.039) 1.095 15.784 ( 1.366 3.684 0.175) 3.933 15.979 ( 0.149 0.687 0.120) 0.713 16.042 ( 0.348 1.487 -0.394) 1.577 16.175 ( -0.987 -0.603 0.987) 1.520 16.258 ( 0.300 -4.245 0.099) 4.257 16.327 ( 2.673 -2.756 -1.118) 3.998 16.443 ( -4.165 2.783 0.523) 5.037 ======================= Grid point 19 (14/72) ======================= q-point: (-0.29 0.29 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 -1.079 0.000) 1.079 1.100 ( -0.000 -0.388 0.000) 0.388 1.487 ( 0.000 4.019 -0.000) 4.019 1.525 ( -0.000 -6.132 0.000) 6.132 1.711 ( 0.000 13.017 -0.000) 13.017 1.815 ( -0.000 -11.263 0.000) 11.263 1.928 ( -0.000 -6.814 0.000) 6.814 2.001 ( -0.000 -9.769 0.000) 9.769 2.069 ( -0.000 -3.991 0.000) 3.991 2.217 ( 0.000 3.403 -0.000) 3.403 2.354 ( 0.000 6.865 -0.000) 6.865 2.357 ( 0.000 6.866 -0.000) 6.866 2.414 ( 0.000 0.492 -0.000) 0.492 2.483 ( -0.000 -0.712 0.000) 0.712 2.531 ( -0.000 -1.301 0.000) 1.301 2.604 ( 0.000 2.240 -0.000) 2.240 2.640 ( 0.000 6.600 -0.000) 6.600 2.947 ( -0.000 -0.250 0.000) 0.250 2.985 ( 0.000 16.237 -0.000) 16.237 3.181 ( -0.000 -9.173 0.000) 9.173 3.216 ( 0.000 7.219 -0.000) 7.219 3.290 ( 0.000 2.730 -0.000) 2.730 3.352 ( 0.000 0.985 -0.000) 0.985 3.488 ( -0.000 -8.337 0.000) 8.337 3.687 ( -0.000 -5.142 0.000) 5.142 3.808 ( 0.000 0.910 -0.000) 0.910 3.936 ( -0.000 -3.355 0.000) 3.355 3.974 ( -0.000 -1.198 0.000) 1.198 4.171 ( 0.000 1.989 -0.000) 1.989 4.190 ( -0.000 -3.406 0.000) 3.406 4.201 ( -0.000 -1.684 0.000) 1.684 4.359 ( 0.000 0.827 -0.000) 0.827 4.363 ( 0.000 0.379 -0.000) 0.379 4.480 ( 0.000 2.927 -0.000) 2.927 4.566 ( -0.000 -1.435 0.000) 1.435 4.624 ( -0.000 -3.383 0.000) 3.383 4.791 ( -0.000 -1.119 0.000) 1.119 4.879 ( 0.000 3.766 -0.000) 3.766 5.072 ( -0.000 -0.452 0.000) 0.452 5.205 ( 0.000 3.542 -0.000) 3.542 5.365 ( 0.000 4.020 -0.000) 4.020 5.432 ( 0.000 0.989 -0.000) 0.989 5.524 ( -0.000 -1.502 0.000) 1.502 5.683 ( -0.000 -1.038 0.000) 1.038 5.825 ( -0.000 -5.499 0.000) 5.499 5.941 ( -0.000 -0.579 0.000) 0.579 6.020 ( 0.000 0.514 -0.000) 0.514 6.038 ( -0.000 -1.751 0.000) 1.751 6.144 ( 0.000 0.326 -0.000) 0.326 6.289 ( -0.000 -3.158 0.000) 3.158 6.490 ( 0.000 4.140 -0.000) 4.140 6.496 ( -0.000 -4.531 0.000) 4.531 6.808 ( -0.000 -2.017 0.000) 2.017 7.095 ( -0.000 -4.502 0.000) 4.502 7.142 ( 0.000 6.686 -0.000) 6.686 7.237 ( 0.000 2.864 -0.000) 2.864 7.511 ( -0.000 -1.861 0.000) 1.861 7.687 ( 0.000 0.230 -0.000) 0.230 7.908 ( 0.000 2.578 -0.000) 2.578 7.959 ( 0.000 1.276 -0.000) 1.276 8.206 ( 0.000 2.167 -0.000) 2.167 8.243 ( -0.000 -3.687 0.000) 3.687 8.320 ( 0.000 1.613 -0.000) 1.613 8.431 ( -0.000 -0.114 0.000) 0.114 8.529 ( -0.000 -4.623 0.000) 4.623 8.614 ( 0.000 0.655 -0.000) 0.655 8.662 ( 0.000 4.108 -0.000) 4.108 8.773 ( 0.000 1.474 -0.000) 1.474 11.800 ( -0.000 -1.225 0.000) 1.225 11.844 ( 0.000 1.303 -0.000) 1.303 11.938 ( 0.000 1.699 -0.000) 1.699 11.954 ( -0.000 -1.636 0.000) 1.636 15.262 ( -0.000 -3.249 0.000) 3.249 15.363 ( 0.000 3.021 -0.000) 3.021 15.543 ( -0.000 -4.357 0.000) 4.357 15.588 ( 0.000 1.830 -0.000) 1.830 15.656 ( 0.000 0.609 -0.000) 0.609 15.740 ( 0.000 2.050 -0.000) 2.050 15.970 ( 0.000 0.338 -0.000) 0.338 16.030 ( -0.000 -0.194 0.000) 0.194 16.172 ( 0.000 0.350 -0.000) 0.350 16.314 ( -0.000 -1.098 0.000) 1.098 16.360 ( 0.000 3.321 -0.000) 3.321 16.424 ( -0.000 -5.984 0.000) 5.984 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.43 0.43 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 12.642 -0.000 -2.619) 12.911 1.017 ( -1.078 0.000 -0.165) 1.091 1.132 ( -5.089 0.000 0.899) 5.168 1.264 ( 13.252 -0.000 -0.369) 13.257 1.528 ( -3.932 0.000 1.006) 4.059 1.777 ( -9.039 0.000 0.482) 9.052 1.954 ( 2.500 -0.000 -0.231) 2.511 2.060 ( -0.437 0.000 3.321) 3.349 2.071 ( 15.013 -0.000 1.638) 15.102 2.201 ( 5.607 -0.000 -0.910) 5.680 2.270 ( 10.894 -0.000 -7.980) 13.505 2.425 ( -1.647 0.000 5.328) 5.577 2.472 ( -9.072 0.000 0.588) 9.091 2.489 ( -4.985 0.000 -2.021) 5.379 2.594 ( -1.931 0.000 1.373) 2.369 2.674 ( -3.310 0.000 -1.406) 3.596 2.921 ( 2.681 -0.000 1.030) 2.872 2.997 ( -0.317 0.000 0.782) 0.844 3.059 ( -0.164 0.000 -0.237) 0.288 3.162 ( 1.507 -0.000 2.136) 2.614 3.203 ( 2.668 -0.000 2.083) 3.385 3.224 ( -1.588 0.000 -2.570) 3.021 3.365 ( -4.510 0.000 -3.443) 5.674 3.509 ( -1.536 0.000 0.996) 1.831 3.647 ( -0.447 0.000 0.967) 1.065 3.872 ( 0.347 -0.000 0.787) 0.860 3.927 ( 4.122 -0.000 2.848) 5.010 4.043 ( -6.178 0.000 -2.925) 6.835 4.051 ( -0.148 0.000 -0.681) 0.697 4.060 ( -0.770 0.000 0.155) 0.785 4.269 ( 3.193 -0.000 0.387) 3.216 4.340 ( 0.787 -0.000 -0.294) 0.840 4.350 ( 1.745 -0.000 -0.513) 1.819 4.484 ( -1.132 0.000 0.080) 1.135 4.553 ( -2.395 0.000 0.257) 2.409 4.609 ( 2.364 -0.000 1.248) 2.673 4.713 ( -1.126 0.000 -1.246) 1.679 4.862 ( -1.022 0.000 -1.099) 1.501 5.078 ( 0.094 -0.000 -1.412) 1.415 5.327 ( 2.061 -0.000 0.480) 2.116 5.372 ( -0.357 0.000 -2.311) 2.339 5.446 ( 7.183 -0.000 1.537) 7.346 5.582 ( -3.683 0.000 -0.464) 3.712 5.582 ( 5.939 -0.000 1.578) 6.145 5.717 ( -7.270 0.000 0.227) 7.273 5.923 ( -2.671 0.000 2.418) 3.603 5.958 ( -0.256 0.000 -2.548) 2.560 5.959 ( -4.236 0.000 -1.739) 4.579 6.176 ( -0.307 0.000 1.447) 1.479 6.186 ( 0.203 -0.000 -0.900) 0.923 6.374 ( 0.903 -0.000 1.716) 1.940 6.727 ( -0.306 0.000 -0.296) 0.426 6.850 ( -1.406 0.000 0.039) 1.407 6.891 ( -1.769 0.000 0.570) 1.859 7.297 ( -1.201 0.000 0.093) 1.205 7.503 ( 0.126 -0.000 0.485) 0.501 7.635 ( 4.970 -0.000 0.418) 4.987 7.758 ( 8.590 -0.000 -1.514) 8.723 7.785 ( -5.583 0.000 0.626) 5.618 7.908 ( -5.613 0.000 3.397) 6.561 8.227 ( 0.061 -0.000 -1.369) 1.371 8.294 ( 0.201 -0.000 -0.618) 0.650 8.325 ( 1.024 -0.000 -2.800) 2.981 8.374 ( 0.225 -0.000 0.285) 0.363 8.384 ( -0.618 0.000 0.919) 1.107 8.541 ( 0.807 -0.000 -0.197) 0.831 8.853 ( 0.143 -0.000 0.234) 0.274 8.882 ( 1.108 -0.000 -0.035) 1.109 11.763 ( -0.222 0.000 -0.406) 0.463 11.892 ( 0.614 -0.000 0.598) 0.857 11.904 ( 0.259 -0.000 0.323) 0.414 11.980 ( -0.642 0.000 -0.571) 0.859 15.220 ( -0.336 0.000 -0.388) 0.514 15.228 ( 0.141 -0.000 0.167) 0.218 15.468 ( -0.513 0.000 0.674) 0.847 15.619 ( -0.226 0.000 -0.123) 0.257 15.696 ( 0.126 -0.000 -0.171) 0.213 15.941 ( 0.602 -0.000 -0.053) 0.604 16.003 ( 0.601 -0.000 0.131) 0.616 16.054 ( 0.246 -0.000 -2.141) 2.155 16.147 ( 0.411 -0.000 -1.580) 1.632 16.185 ( -0.864 0.000 3.365) 3.474 16.219 ( 2.036 -0.000 0.524) 2.102 16.509 ( -3.446 0.000 0.019) 3.446 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.57 0.43 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 0.525 -0.000) 0.525 1.082 ( 0.000 0.477 -0.000) 0.477 1.155 ( -0.000 -13.109 0.000) 13.109 1.425 ( -0.000 -9.037 0.000) 9.037 1.520 ( -0.000 -1.445 0.000) 1.445 1.624 ( 0.000 8.075 -0.000) 8.075 1.957 ( 0.000 1.098 -0.000) 1.098 2.018 ( 0.000 2.594 -0.000) 2.594 2.117 ( 0.000 1.104 -0.000) 1.104 2.362 ( -0.000 -2.482 0.000) 2.482 2.371 ( 0.000 3.243 -0.000) 3.243 2.390 ( -0.000 -6.405 0.000) 6.405 2.392 ( 0.000 1.330 -0.000) 1.330 2.453 ( -0.000 -1.420 0.000) 1.420 2.580 ( 0.000 1.913 -0.000) 1.913 2.676 ( -0.000 -2.540 0.000) 2.540 2.930 ( 0.000 6.222 -0.000) 6.222 2.956 ( -0.000 -1.217 0.000) 1.217 3.101 ( -0.000 -3.354 0.000) 3.354 3.109 ( 0.000 5.321 -0.000) 5.321 3.188 ( 0.000 0.191 -0.000) 0.191 3.238 ( -0.000 -2.340 0.000) 2.340 3.393 ( -0.000 -2.579 0.000) 2.579 3.527 ( -0.000 -2.695 0.000) 2.695 3.578 ( 0.000 5.574 -0.000) 5.574 3.865 ( 0.000 0.825 -0.000) 0.825 3.919 ( 0.000 2.663 -0.000) 2.663 3.964 ( 0.000 3.114 -0.000) 3.114 4.085 ( -0.000 -1.973 0.000) 1.973 4.117 ( -0.000 -4.297 0.000) 4.297 4.256 ( 0.000 3.454 -0.000) 3.454 4.324 ( -0.000 -3.802 0.000) 3.802 4.405 ( 0.000 0.405 -0.000) 0.405 4.467 ( 0.000 0.448 -0.000) 0.448 4.536 ( -0.000 -0.460 0.000) 0.460 4.591 ( 0.000 1.830 -0.000) 1.830 4.807 ( -0.000 -7.388 0.000) 7.388 4.837 ( 0.000 1.892 -0.000) 1.892 5.069 ( 0.000 0.741 -0.000) 0.741 5.320 ( 0.000 1.904 -0.000) 1.904 5.385 ( -0.000 -1.673 0.000) 1.673 5.474 ( 0.000 1.748 -0.000) 1.748 5.545 ( 0.000 0.792 -0.000) 0.792 5.652 ( -0.000 -0.954 0.000) 0.954 5.678 ( -0.000 -2.429 0.000) 2.429 5.931 ( -0.000 -2.010 0.000) 2.010 5.933 ( 0.000 0.363 -0.000) 0.363 5.972 ( -0.000 -1.734 0.000) 1.734 6.175 ( 0.000 0.188 -0.000) 0.188 6.214 ( -0.000 -2.479 0.000) 2.479 6.376 ( -0.000 -0.088 0.000) 0.088 6.650 ( 0.000 5.423 -0.000) 5.423 6.854 ( 0.000 2.725 -0.000) 2.725 6.916 ( -0.000 -5.329 0.000) 5.329 7.299 ( -0.000 -0.429 0.000) 0.429 7.432 ( 0.000 6.865 -0.000) 6.865 7.589 ( 0.000 5.793 -0.000) 5.793 7.726 ( 0.000 1.582 -0.000) 1.582 7.883 ( -0.000 -5.206 0.000) 5.206 7.913 ( -0.000 -2.782 0.000) 2.782 8.239 ( -0.000 -0.708 0.000) 0.708 8.258 ( 0.000 4.536 -0.000) 4.536 8.312 ( -0.000 -2.306 0.000) 2.306 8.380 ( 0.000 0.039 -0.000) 0.039 8.415 ( -0.000 -1.645 0.000) 1.645 8.563 ( -0.000 -1.883 0.000) 1.883 8.842 ( 0.000 1.292 -0.000) 1.292 8.850 ( 0.000 3.817 -0.000) 3.817 11.766 ( -0.000 -0.507 0.000) 0.507 11.894 ( 0.000 1.121 -0.000) 1.121 11.904 ( -0.000 -0.884 0.000) 0.884 11.976 ( 0.000 0.207 -0.000) 0.207 15.192 ( 0.000 0.094 -0.000) 0.094 15.317 ( -0.000 -6.373 0.000) 6.373 15.453 ( 0.000 1.398 -0.000) 1.398 15.619 ( 0.000 0.038 -0.000) 0.038 15.689 ( 0.000 0.703 -0.000) 0.703 15.877 ( 0.000 5.265 -0.000) 5.265 15.996 ( 0.000 0.909 -0.000) 0.909 16.067 ( 0.000 0.414 -0.000) 0.414 16.158 ( -0.000 -0.856 0.000) 0.856 16.187 ( -0.000 -2.400 0.000) 2.400 16.280 ( -0.000 -3.648 0.000) 3.648 16.472 ( 0.000 2.109 -0.000) 2.109 ======================= Grid point 51 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 3.896 -0.000 21.509) 21.859 0.471 ( -3.029 0.000 24.852) 25.036 0.846 ( -7.286 0.000 34.312) 35.077 1.128 ( -0.468 0.000 0.109) 0.480 1.341 ( -1.561 0.000 13.735) 13.824 1.539 ( 1.617 -0.000 -13.624) 13.719 1.540 ( 2.693 -0.000 -7.490) 7.960 2.069 ( -0.645 0.000 -0.486) 0.808 2.155 ( -1.575 0.000 1.875) 2.449 2.290 ( -0.842 0.000 3.974) 4.062 2.483 ( 4.601 -0.000 2.193) 5.097 2.493 ( 0.554 -0.000 -1.372) 1.479 2.512 ( -2.559 0.000 1.929) 3.205 2.586 ( -4.400 0.000 -1.658) 4.703 2.619 ( 0.035 -0.000 7.329) 7.329 2.750 ( 1.396 -0.000 -3.313) 3.595 2.819 ( -2.874 0.000 3.292) 4.369 3.010 ( 2.313 -0.000 0.937) 2.495 3.024 ( 1.081 -0.000 -0.983) 1.461 3.082 ( -2.391 0.000 0.385) 2.422 3.108 ( -0.940 0.000 -0.810) 1.241 3.243 ( 0.055 -0.000 -5.529) 5.530 3.383 ( 2.645 -0.000 -2.766) 3.827 3.484 ( 3.566 -0.000 -19.662) 19.983 3.637 ( -1.060 0.000 8.227) 8.295 3.909 ( 0.609 -0.000 4.426) 4.467 3.961 ( -0.256 0.000 -0.177) 0.311 4.063 ( 1.243 -0.000 2.709) 2.981 4.085 ( 0.683 -0.000 -2.511) 2.602 4.097 ( 1.252 -0.000 -0.771) 1.470 4.145 ( -5.784 0.000 0.529) 5.808 4.309 ( -0.393 0.000 -0.103) 0.407 4.351 ( -0.647 0.000 -4.200) 4.250 4.502 ( -0.688 0.000 -1.888) 2.009 4.575 ( 1.585 -0.000 -11.023) 11.137 4.699 ( 12.417 -0.000 2.646) 12.696 4.810 ( -0.780 0.000 -0.983) 1.255 4.850 ( -3.412 0.000 8.924) 9.554 4.963 ( -1.121 0.000 -7.242) 7.328 5.160 ( -1.596 0.000 -1.930) 2.505 5.218 ( -5.022 0.000 -1.752) 5.318 5.332 ( -0.024 0.000 -1.203) 1.203 5.636 ( -1.324 0.000 4.735) 4.917 5.669 ( -1.172 0.000 6.899) 6.998 5.942 ( 4.140 -0.000 3.488) 5.413 6.016 ( -3.466 0.000 3.858) 5.187 6.053 ( 0.569 -0.000 -4.421) 4.458 6.172 ( -1.883 0.000 -2.165) 2.870 6.264 ( -2.170 0.000 -3.675) 4.268 6.296 ( 3.266 -0.000 7.759) 8.418 6.404 ( -0.251 0.000 -1.988) 2.004 6.688 ( 0.942 -0.000 -4.348) 4.449 7.073 ( 0.505 -0.000 1.552) 1.632 7.125 ( 14.817 -0.000 0.389) 14.822 7.210 ( -2.649 0.000 0.216) 2.658 7.314 ( 1.167 -0.000 -2.990) 3.209 7.473 ( -1.239 0.000 1.431) 1.893 7.517 ( -0.909 0.000 0.288) 0.953 7.886 ( 1.755 -0.000 3.040) 3.510 7.959 ( -0.398 0.000 0.181) 0.437 8.095 ( -4.763 0.000 -0.673) 4.810 8.162 ( 0.828 -0.000 -3.651) 3.744 8.316 ( -1.543 0.000 1.419) 2.096 8.428 ( -0.409 0.000 0.750) 0.854 8.499 ( -1.446 0.000 6.150) 6.318 8.755 ( 0.321 -0.000 -2.301) 2.323 8.789 ( -6.276 0.000 -2.188) 6.647 8.807 ( 1.037 -0.000 -2.011) 2.263 11.785 ( -0.967 0.000 -0.449) 1.066 11.836 ( 0.793 -0.000 -1.268) 1.495 11.899 ( 0.460 -0.000 2.895) 2.932 12.021 ( -0.488 0.000 -0.560) 0.743 15.223 ( 0.338 -0.000 0.538) 0.635 15.253 ( -0.818 0.000 -0.286) 0.867 15.596 ( 7.155 -0.000 -0.276) 7.161 15.638 ( -0.123 0.000 -0.760) 0.770 15.714 ( -0.641 0.000 2.101) 2.197 15.755 ( -5.321 0.000 2.263) 5.783 15.859 ( 0.173 -0.000 -2.370) 2.376 15.937 ( 0.429 -0.000 -1.604) 1.660 16.110 ( 0.888 -0.000 0.196) 0.909 16.128 ( -0.990 0.000 -0.143) 1.000 16.755 ( 0.159 -0.000 2.026) 2.032 16.901 ( -4.923 0.000 -1.578) 5.169 ======================= Grid point 52 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 2.654 -12.353 16.594) 20.857 0.730 ( 12.392 -17.323 12.588) 24.741 1.098 ( 0.201 -5.273 2.991) 6.066 1.116 ( 1.425 -8.672 5.749) 10.501 1.393 ( 0.889 -8.147 20.132) 21.736 1.530 ( 2.055 -1.517 -10.288) 10.601 1.689 ( 7.802 -8.369 -7.266) 13.554 2.058 ( -1.759 0.188 -1.272) 2.179 2.102 ( -4.960 -1.151 5.535) 7.521 2.283 ( -2.518 1.853 0.286) 3.140 2.355 ( -2.409 6.763 1.804) 7.403 2.457 ( 1.340 5.942 -0.948) 6.165 2.516 ( -2.838 0.318 1.265) 3.123 2.569 ( 0.377 0.574 -0.321) 0.758 2.646 ( 0.139 0.938 4.325) 4.427 2.698 ( 0.410 5.038 -0.613) 5.091 2.786 ( 1.843 2.197 1.912) 3.447 2.980 ( 4.387 5.897 -2.705) 7.832 3.051 ( 0.235 2.438 -0.217) 2.458 3.070 ( -2.518 -1.229 1.248) 3.067 3.142 ( 1.418 -4.644 0.136) 4.857 3.170 ( -2.438 2.588 -1.076) 3.715 3.469 ( 1.985 -2.994 -8.409) 9.144 3.506 ( 3.534 -2.845 -7.216) 8.524 3.678 ( -0.872 -3.519 5.914) 6.936 3.926 ( 0.977 -0.692 6.335) 6.447 3.982 ( -0.716 -1.950 0.356) 2.108 4.067 ( 2.347 1.070 -2.140) 3.352 4.084 ( -0.086 1.431 -0.915) 1.701 4.128 ( -0.527 -4.854 -0.364) 4.896 4.182 ( -1.142 -3.886 -0.869) 4.142 4.279 ( -1.931 1.213 -2.352) 3.276 4.358 ( -1.651 -1.586 -1.203) 2.586 4.476 ( -0.382 1.573 -3.045) 3.448 4.569 ( 2.015 -0.051 -6.197) 6.516 4.581 ( -2.288 8.458 6.466) 10.889 4.816 ( 0.158 0.626 6.758) 6.788 4.914 ( 0.211 -0.240 -10.472) 10.477 4.979 ( -0.141 -3.457 -3.375) 4.834 5.129 ( 1.960 0.495 -2.518) 3.229 5.198 ( -0.036 -0.495 -0.065) 0.501 5.352 ( -0.863 -1.120 -3.456) 3.734 5.607 ( -2.620 1.048 5.585) 6.257 5.709 ( 0.784 -2.768 4.415) 5.270 5.941 ( 0.637 2.128 0.079) 2.222 5.994 ( -2.675 -0.749 4.132) 4.979 6.089 ( -2.505 3.568 -2.810) 5.187 6.125 ( -0.597 -3.933 -0.101) 3.980 6.207 ( -0.716 1.507 -0.185) 1.679 6.316 ( 0.867 1.474 3.405) 3.810 6.366 ( -1.474 0.250 3.725) 4.014 6.650 ( 0.254 4.041 -5.167) 6.564 7.048 ( -3.147 3.535 1.901) 5.100 7.091 ( -3.806 0.269 -0.051) 3.816 7.247 ( 5.508 3.346 -1.122) 6.541 7.301 ( 3.907 4.127 -1.295) 5.828 7.545 ( 0.665 -3.675 -4.283) 5.682 7.574 ( -0.449 -5.577 -2.624) 6.180 7.814 ( 0.792 5.076 0.318) 5.147 8.001 ( 0.447 2.936 0.854) 3.091 8.053 ( 4.754 -3.114 0.953) 5.763 8.229 ( -0.542 -3.078 -4.828) 5.751 8.349 ( 0.167 -4.308 2.670) 5.071 8.424 ( -0.772 0.093 1.564) 1.746 8.487 ( -2.223 0.405 6.490) 6.872 8.606 ( -4.664 5.392 8.364) 10.991 8.750 ( 0.715 0.912 -2.338) 2.610 8.805 ( 1.094 1.442 -1.389) 2.281 11.781 ( -0.846 -0.577 -0.425) 1.108 11.851 ( 1.111 -0.810 -0.977) 1.687 11.899 ( 0.467 0.845 2.815) 2.976 12.010 ( -0.785 0.584 -1.257) 1.593 15.222 ( -0.673 -1.192 0.559) 1.478 15.342 ( -0.660 -6.641 -2.868) 7.264 15.560 ( 2.226 6.232 1.406) 6.765 15.634 ( -0.732 0.443 -0.954) 1.282 15.670 ( -2.207 0.686 3.535) 4.224 15.743 ( 1.896 0.862 3.150) 3.776 15.933 ( 1.314 -1.332 -3.893) 4.319 15.962 ( 1.110 -3.530 -5.281) 6.448 16.129 ( 0.379 -1.655 -0.248) 1.716 16.144 ( 0.914 -1.858 -0.090) 2.073 16.567 ( -6.967 10.361 11.846) 17.211 16.769 ( -5.779 3.694 0.598) 6.885 ======================= Grid point 53 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 5.465 -14.793 5.515) 16.707 1.066 ( -1.053 0.775 -0.547) 1.417 1.113 ( -0.394 -13.934 7.123) 15.654 1.284 ( 3.336 -7.058 5.539) 9.572 1.570 ( 1.844 -3.847 -9.373) 10.298 1.737 ( 8.383 -10.739 4.997) 14.511 1.917 ( 9.367 -7.128 -4.573) 12.628 2.034 ( -1.280 -0.953 -4.762) 5.022 2.136 ( -5.145 -3.901 7.854) 10.167 2.164 ( -6.206 4.996 0.239) 7.971 2.273 ( -1.263 -2.382 0.147) 2.700 2.362 ( 1.217 4.470 -1.321) 4.817 2.491 ( -0.927 6.878 -2.787) 7.479 2.513 ( -2.362 -0.936 3.186) 4.074 2.587 ( 0.512 4.671 2.389) 5.272 2.623 ( 2.072 3.617 3.342) 5.343 2.752 ( 4.228 6.208 0.547) 7.531 2.889 ( 0.225 4.558 -3.380) 5.679 2.939 ( 2.663 6.889 -0.044) 7.386 3.113 ( 1.921 -3.842 1.119) 4.439 3.189 ( -4.894 -5.122 6.848) 9.853 3.233 ( 0.959 -3.385 1.159) 3.705 3.475 ( 1.038 1.709 -5.833) 6.166 3.582 ( -0.059 -1.384 1.377) 1.953 3.746 ( -1.485 -4.037 3.691) 5.668 3.932 ( -2.461 3.793 4.052) 6.072 4.010 ( 1.965 -0.779 3.032) 3.696 4.021 ( -2.059 -0.239 -0.147) 2.078 4.096 ( 3.113 -0.711 -3.187) 4.512 4.196 ( -1.966 -3.509 -1.796) 4.405 4.227 ( -0.535 0.863 -2.185) 2.410 4.263 ( -0.944 -2.464 -1.340) 2.960 4.362 ( 0.608 0.347 0.551) 0.891 4.451 ( -2.288 3.541 1.548) 4.491 4.472 ( -0.321 -2.662 -4.253) 5.028 4.603 ( 1.020 -2.434 -1.840) 3.216 4.805 ( 0.909 1.718 3.628) 4.116 4.874 ( 0.632 2.919 -7.666) 8.228 5.010 ( -1.320 -1.260 -3.769) 4.187 5.144 ( 3.086 0.362 -3.005) 4.323 5.244 ( 2.843 -2.095 -0.063) 3.532 5.354 ( -0.059 -0.680 -3.202) 3.274 5.592 ( -0.852 -0.829 4.397) 4.554 5.772 ( 1.929 -1.696 2.616) 3.666 5.877 ( -5.195 2.530 -0.878) 5.844 5.956 ( -4.530 2.840 -0.565) 5.376 6.027 ( -0.685 -0.942 3.205) 3.410 6.161 ( 0.643 2.127 0.522) 2.283 6.197 ( -0.149 -0.462 0.893) 1.016 6.317 ( -0.215 -1.343 1.193) 1.809 6.360 ( 0.049 -0.010 0.850) 0.851 6.566 ( -0.514 3.160 -4.698) 5.686 6.934 ( -4.729 2.879 1.752) 5.807 7.094 ( -1.621 -1.021 0.757) 2.060 7.189 ( 1.271 5.259 -1.147) 5.530 7.262 ( 3.915 3.093 0.094) 4.991 7.573 ( 0.371 0.556 -5.768) 5.807 7.627 ( -0.161 -1.111 -1.892) 2.200 7.759 ( -0.407 0.619 -0.975) 1.225 7.977 ( 3.948 1.858 -0.653) 4.412 8.152 ( 2.574 -3.107 3.592) 5.402 8.253 ( -1.321 -1.374 -4.144) 4.561 8.406 ( -0.131 0.875 4.080) 4.175 8.416 ( -1.491 -0.751 2.703) 3.177 8.498 ( -1.915 -4.383 4.019) 6.247 8.567 ( 0.366 -0.406 5.301) 5.329 8.727 ( 0.624 1.828 -2.272) 2.982 8.777 ( 0.999 2.305 -1.065) 2.729 11.788 ( -0.741 -0.995 -0.130) 1.247 11.879 ( 1.106 -0.100 0.362) 1.168 11.888 ( 0.526 0.058 1.373) 1.471 11.983 ( -0.843 1.296 -1.648) 2.260 15.251 ( -1.097 -2.573 0.890) 2.935 15.446 ( 0.185 -4.672 -3.478) 5.827 15.470 ( 0.120 4.100 4.128) 5.819 15.615 ( -0.812 0.808 -1.813) 2.144 15.657 ( 0.289 0.452 3.362) 3.404 15.743 ( 0.647 0.838 2.891) 3.078 15.940 ( 0.693 0.236 -2.992) 3.080 15.997 ( 0.276 -0.249 -4.406) 4.422 16.186 ( 2.736 -1.827 -1.110) 3.472 16.199 ( 0.350 -3.860 -1.613) 4.199 16.403 ( -4.330 4.119 8.640) 10.506 16.636 ( -4.284 5.423 -0.276) 6.916 ======================= Grid point 54 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.396 0.354 0.270) 0.596 1.105 ( 1.178 -0.964 -0.778) 1.709 1.354 ( 0.372 -12.361 5.296) 13.453 1.476 ( 1.398 -5.791 7.042) 9.224 1.602 ( -0.181 1.772 -3.081) 3.559 1.854 ( 2.876 -0.692 -4.262) 5.188 1.978 ( -2.464 4.880 -1.213) 5.600 2.079 ( -0.104 -0.339 -2.366) 2.392 2.102 ( 4.592 -2.882 -3.356) 6.376 2.149 ( -1.402 -4.601 -3.567) 5.988 2.305 ( -2.341 1.507 -5.607) 6.260 2.335 ( 1.438 3.319 -2.102) 4.183 2.388 ( 1.632 1.748 3.673) 4.383 2.512 ( -1.372 0.832 2.533) 2.998 2.550 ( 0.454 0.756 2.619) 2.764 2.575 ( -0.248 -1.217 6.972) 7.082 2.684 ( 1.024 3.272 -1.708) 3.830 2.822 ( -1.547 1.230 -5.917) 6.239 2.967 ( 8.388 -4.114 1.297) 9.432 3.179 ( -4.128 -0.141 1.386) 4.357 3.255 ( -1.524 -1.595 8.251) 8.541 3.288 ( 2.316 -4.398 3.192) 5.907 3.404 ( -2.313 4.319 2.120) 5.338 3.548 ( -1.196 3.771 4.240) 5.799 3.779 ( -2.180 -0.384 3.805) 4.402 3.837 ( -0.846 1.679 2.112) 2.828 4.024 ( -1.505 -0.929 -1.257) 2.170 4.047 ( 1.444 0.345 2.276) 2.717 4.113 ( -2.002 0.224 -1.999) 2.838 4.181 ( 2.118 1.090 -3.179) 3.972 4.234 ( 1.327 -0.534 -0.058) 1.431 4.286 ( -2.640 -1.807 2.460) 4.036 4.380 ( 1.501 -1.388 -1.472) 2.519 4.417 ( 0.128 -0.252 -2.865) 2.878 4.527 ( 0.081 -2.220 -2.654) 3.460 4.662 ( 0.275 -2.918 1.636) 3.356 4.789 ( 0.656 0.548 0.047) 0.856 4.806 ( 1.129 4.081 -6.829) 8.036 5.017 ( -0.872 -1.692 -4.700) 5.071 5.154 ( 2.234 1.292 -2.026) 3.281 5.287 ( 0.630 -0.559 0.718) 1.107 5.385 ( 1.359 -2.139 -1.925) 3.182 5.627 ( 1.714 -1.006 3.672) 4.176 5.768 ( -1.048 2.313 -2.054) 3.266 5.775 ( -4.681 2.255 1.345) 5.367 5.920 ( -1.478 -2.426 -0.411) 2.871 6.045 ( -1.976 -1.164 3.868) 4.496 6.108 ( 2.344 3.959 1.788) 4.936 6.210 ( 0.633 0.208 0.845) 1.076 6.272 ( -1.934 1.901 -2.575) 3.740 6.428 ( 2.051 -3.970 -2.042) 4.913 6.515 ( -1.169 2.146 -2.353) 3.392 6.880 ( -2.203 -0.012 2.645) 3.442 7.080 ( 1.273 3.081 1.280) 3.571 7.114 ( -1.418 0.694 -2.957) 3.351 7.266 ( 1.489 -0.234 1.730) 2.294 7.541 ( 1.625 1.964 -5.502) 6.064 7.634 ( -0.932 -0.745 -1.864) 2.213 7.762 ( -0.021 -0.623 -1.138) 1.298 7.986 ( 1.906 0.427 -1.820) 2.670 8.204 ( 0.406 0.740 1.618) 1.825 8.261 ( -0.393 -2.230 1.509) 2.722 8.377 ( -0.872 1.873 4.291) 4.762 8.423 ( -0.374 -0.881 1.542) 1.815 8.578 ( -1.515 -3.931 1.980) 4.655 8.585 ( 0.935 -0.037 2.579) 2.743 8.699 ( -0.391 0.959 -1.743) 2.027 8.744 ( 1.207 1.765 -0.141) 2.143 11.803 ( -0.378 -1.112 0.395) 1.239 11.863 ( 0.062 1.257 1.692) 2.109 11.917 ( 0.987 -0.517 -0.472) 1.210 11.952 ( -0.602 0.486 -1.781) 1.942 15.295 ( -1.152 -3.113 1.075) 3.489 15.390 ( 0.395 4.127 2.545) 4.865 15.540 ( 0.389 -4.299 -1.040) 4.441 15.584 ( -0.826 1.555 -2.143) 2.773 15.659 ( 0.640 0.353 3.329) 3.408 15.734 ( -0.076 0.683 2.603) 2.693 15.937 ( 0.516 0.202 -3.205) 3.253 15.992 ( 0.186 0.148 -3.001) 3.010 16.220 ( 2.424 0.617 -0.360) 2.527 16.253 ( -1.831 -1.183 -1.551) 2.676 16.363 ( -0.091 -2.137 4.008) 4.543 16.513 ( -2.536 4.102 0.031) 4.823 ======================= Grid point 55 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.158 -0.622 0.620) 0.892 1.089 ( -0.458 2.601 -1.655) 3.117 1.298 ( -1.809 17.107 2.070) 17.327 1.488 ( -1.948 5.139 6.150) 8.248 1.642 ( 0.463 -6.445 0.149) 6.463 1.878 ( 2.739 1.052 -3.653) 4.686 1.913 ( 0.698 2.244 -1.663) 2.878 2.054 ( -1.140 2.029 -0.983) 2.526 2.106 ( -6.313 1.372 -3.622) 7.407 2.177 ( 0.401 -0.460 -1.865) 1.962 2.293 ( 6.072 0.559 -6.317) 8.780 2.355 ( 3.048 -5.575 -4.845) 7.991 2.444 ( -0.686 -1.890 3.179) 3.762 2.485 ( -2.852 -3.844 3.937) 6.198 2.558 ( 0.353 -1.238 2.714) 3.004 2.629 ( -0.924 -0.820 6.600) 6.715 2.662 ( -0.496 -1.583 -1.615) 2.315 2.778 ( -2.983 2.531 -1.710) 4.269 2.989 ( -10.462 6.019 3.141) 12.471 3.129 ( 5.626 -3.550 -5.994) 8.955 3.201 ( -1.996 3.984 6.303) 7.719 3.399 ( -0.009 -1.089 6.165) 6.261 3.432 ( 2.563 -3.990 3.100) 5.665 3.476 ( 1.167 2.256 3.465) 4.296 3.787 ( 1.762 0.252 4.166) 4.531 3.818 ( -0.870 -0.473 1.604) 1.885 4.004 ( -2.645 1.828 -1.316) 3.474 4.022 ( 0.728 0.776 -1.044) 1.491 4.118 ( 0.894 -1.342 -0.775) 1.789 4.188 ( 2.565 1.346 -0.206) 2.904 4.258 ( 1.828 -0.366 -0.404) 1.908 4.309 ( -0.898 -1.790 2.536) 3.231 4.384 ( -2.356 0.582 -2.742) 3.662 4.439 ( 0.181 -1.589 0.117) 1.603 4.520 ( 0.114 2.038 -3.058) 3.677 4.696 ( 0.818 1.045 -1.734) 2.184 4.743 ( 1.438 1.846 1.300) 2.677 4.819 ( -0.788 -3.705 -5.752) 6.887 5.049 ( -1.120 -3.190 -4.461) 5.597 5.126 ( 0.592 2.733 -1.946) 3.406 5.283 ( -0.575 0.985 0.500) 1.245 5.413 ( -0.408 0.072 -1.626) 1.677 5.628 ( -1.017 -0.036 3.107) 3.269 5.715 ( -2.008 1.275 -0.090) 2.380 5.786 ( 5.240 -1.421 -1.683) 5.684 5.963 ( -0.461 -2.609 1.570) 3.080 6.030 ( -1.487 0.411 5.847) 6.047 6.117 ( 3.740 -1.368 -1.820) 4.378 6.150 ( -1.075 3.513 0.101) 3.675 6.296 ( 1.393 -2.287 -1.578) 3.108 6.429 ( -2.279 4.652 -0.924) 5.262 6.509 ( 1.693 -2.956 -3.286) 4.733 6.886 ( 1.827 -0.179 3.321) 3.794 7.043 ( -0.358 0.541 -1.151) 1.321 7.132 ( -0.049 -2.959 -1.383) 3.267 7.288 ( -1.856 -1.903 2.201) 3.451 7.541 ( 3.389 -0.199 -5.652) 6.593 7.632 ( -1.468 -0.357 -1.821) 2.367 7.775 ( 0.771 -0.661 -0.937) 1.382 7.971 ( -1.488 1.324 -2.459) 3.164 8.158 ( -1.407 2.585 0.095) 2.944 8.328 ( 2.357 -2.737 4.378) 5.676 8.341 ( -0.863 1.569 4.375) 4.727 8.439 ( -0.485 -0.798 0.698) 1.166 8.549 ( 0.462 3.382 2.363) 4.152 8.627 ( -1.692 -0.209 2.594) 3.104 8.687 ( -1.730 -2.471 -2.538) 3.942 8.747 ( 1.126 -0.336 0.166) 1.186 11.820 ( 0.459 -0.326 1.177) 1.305 11.846 ( -0.691 0.233 0.800) 1.083 11.898 ( -0.241 1.616 -1.289) 2.081 11.971 ( 0.455 -1.675 -0.848) 1.932 15.322 ( -0.293 2.407 1.278) 2.741 15.351 ( -0.105 -2.235 2.016) 3.012 15.534 ( -0.057 3.050 -1.508) 3.403 15.606 ( -0.021 -2.576 -1.023) 2.771 15.664 ( 0.277 -0.167 3.393) 3.409 15.727 ( -0.571 -0.029 2.224) 2.296 15.936 ( 0.426 -0.087 -3.282) 3.311 15.995 ( 0.736 -0.424 -3.333) 3.440 16.199 ( -0.421 2.107 -0.110) 2.151 16.237 ( -1.141 0.680 -0.089) 1.331 16.411 ( -0.420 0.491 3.098) 3.164 16.493 ( 3.003 -3.991 -0.400) 5.010 ======================= Grid point 56 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.602 21.657 2.500) 21.810 0.978 ( -5.273 9.160 2.348) 10.827 1.076 ( 1.003 -0.753 0.431) 1.326 1.350 ( -3.613 5.603 6.896) 9.592 1.663 ( 1.511 4.729 -2.902) 5.751 1.776 ( -7.078 10.400 -6.894) 14.345 1.796 ( -7.903 9.001 2.325) 12.202 2.049 ( 0.473 -4.186 1.476) 4.464 2.104 ( 3.969 0.174 -0.433) 3.996 2.181 ( 1.114 2.226 5.064) 5.642 2.253 ( -0.852 0.350 0.095) 0.926 2.437 ( 0.846 -0.984 -0.792) 1.520 2.512 ( -1.046 -7.709 -1.626) 7.947 2.540 ( -1.804 1.224 5.748) 6.148 2.583 ( 2.343 -1.082 2.074) 3.311 2.627 ( 0.304 -3.380 3.485) 4.864 2.719 ( -2.632 -5.607 -1.674) 6.416 2.776 ( 0.087 -7.510 -4.584) 8.799 2.978 ( -2.752 -6.803 -1.116) 7.423 3.128 ( -2.064 2.317 5.446) 6.268 3.174 ( 2.183 1.779 -3.026) 4.133 3.319 ( -2.971 6.140 7.170) 9.896 3.462 ( 0.902 -0.672 -5.578) 5.691 3.514 ( 3.282 2.023 -0.663) 3.912 3.750 ( 0.056 3.909 4.317) 5.824 3.893 ( 1.887 -3.737 3.188) 5.262 3.970 ( -2.257 -1.310 -0.127) 2.613 4.007 ( 2.026 2.274 -0.666) 3.118 4.118 ( 2.681 2.782 -2.762) 4.750 4.199 ( 1.282 1.766 -0.390) 2.217 4.249 ( -0.225 -0.111 -1.618) 1.638 4.303 ( -0.549 0.766 -1.075) 1.429 4.394 ( -3.313 -4.065 3.631) 6.378 4.409 ( 1.020 4.573 2.211) 5.181 4.522 ( -0.357 -2.425 -3.725) 4.459 4.642 ( -0.311 2.808 -8.493) 8.951 4.764 ( 1.378 -0.572 8.382) 8.514 4.880 ( 1.104 -3.044 -6.703) 7.444 5.056 ( -2.226 1.702 -3.927) 4.824 5.109 ( -0.162 -2.517 -2.833) 3.793 5.244 ( -1.930 1.690 -0.208) 2.574 5.396 ( -0.498 0.132 -3.201) 3.242 5.646 ( -1.368 -1.362 3.372) 3.885 5.682 ( 0.975 1.744 3.312) 3.868 5.843 ( 4.812 0.159 -2.533) 5.440 6.012 ( 0.605 -2.653 1.517) 3.116 6.041 ( 1.170 0.603 4.443) 4.634 6.123 ( -1.285 -3.347 0.405) 3.608 6.183 ( 3.867 -1.008 -0.677) 4.053 6.292 ( -0.432 4.802 0.803) 4.887 6.344 ( 0.318 1.009 -0.224) 1.082 6.583 ( 0.841 -4.494 -4.001) 6.075 6.929 ( 4.588 -0.885 2.323) 5.218 7.050 ( 1.777 -0.585 -1.263) 2.258 7.194 ( -2.017 -4.077 -0.804) 4.619 7.307 ( -3.937 -2.946 1.307) 5.088 7.573 ( 5.505 1.616 -6.450) 8.632 7.613 ( -1.917 0.333 -1.851) 2.685 7.796 ( 0.128 -1.103 0.088) 1.114 7.922 ( -2.705 0.414 -1.794) 3.272 8.107 ( -1.083 1.414 -0.813) 1.958 8.321 ( -0.709 0.381 3.960) 4.040 8.386 ( 0.289 0.035 2.821) 2.836 8.428 ( -1.242 0.817 0.473) 1.560 8.505 ( 0.750 1.547 5.326) 5.596 8.597 ( -2.145 0.374 5.017) 5.469 8.733 ( -0.676 -2.966 -2.993) 4.268 8.761 ( 0.102 -0.758 -0.677) 1.022 11.815 ( -0.127 0.869 0.794) 1.184 11.849 ( 0.104 -0.022 -0.473) 0.485 11.873 ( -0.312 0.183 0.444) 0.573 12.002 ( 0.261 -1.358 -0.812) 1.604 15.272 ( -0.128 2.621 1.135) 2.859 15.400 ( 1.236 -1.295 -0.229) 1.805 15.471 ( -0.344 2.849 0.297) 2.884 15.637 ( -0.595 -1.460 -0.397) 1.626 15.680 ( 0.234 -0.769 2.787) 2.900 15.730 ( -1.432 -0.901 2.422) 2.954 15.937 ( 0.309 0.027 -3.117) 3.132 16.003 ( 0.966 0.196 -5.492) 5.580 16.154 ( -1.069 1.919 -0.269) 2.213 16.202 ( -0.924 2.081 -0.021) 2.277 16.422 ( 1.335 -2.132 7.564) 7.971 16.630 ( 4.849 -5.877 -0.339) 7.627 ======================= Grid point 57 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -1.219 15.108 13.777) 20.483 0.679 ( -12.203 13.904 11.911) 22.002 1.111 ( 0.979 -1.345 -0.167) 1.672 1.178 ( -11.022 16.577 8.390) 21.603 1.382 ( -6.169 9.104 22.744) 25.263 1.565 ( -0.779 4.102 -7.671) 8.733 1.627 ( -0.914 5.728 -9.873) 11.451 2.074 ( 0.355 0.226 -0.289) 0.511 2.115 ( 1.688 0.432 6.084) 6.328 2.271 ( 3.583 -3.720 0.756) 5.220 2.322 ( 2.502 -6.082 1.950) 6.860 2.477 ( -0.158 -2.748 -0.254) 2.764 2.540 ( 0.843 0.474 1.030) 1.413 2.603 ( -4.342 -4.631 -0.973) 6.422 2.619 ( 1.196 -0.627 2.259) 2.632 2.690 ( 0.753 -2.828 0.512) 2.971 2.792 ( -2.606 -4.681 2.068) 5.743 2.936 ( 1.071 -7.013 -4.622) 8.467 3.068 ( -1.562 -2.888 0.942) 3.416 3.093 ( 0.147 2.771 0.548) 2.828 3.128 ( -0.128 1.842 -0.250) 1.863 3.215 ( -2.607 0.430 0.629) 2.716 3.444 ( 2.368 4.951 -5.864) 8.032 3.477 ( 1.750 0.704 -11.150) 11.308 3.678 ( -0.703 3.813 6.266) 7.368 3.912 ( -1.201 0.626 3.929) 4.156 3.984 ( 0.499 1.044 -0.054) 1.159 4.024 ( 3.077 -1.113 -0.131) 3.275 4.086 ( 0.304 0.891 -2.020) 2.229 4.123 ( 0.931 4.220 -1.414) 4.547 4.248 ( -4.660 1.638 -2.886) 5.721 4.321 ( -1.184 -2.101 -3.688) 4.407 4.343 ( 4.238 2.785 4.148) 6.552 4.458 ( 0.479 -3.565 7.469) 8.290 4.542 ( -1.496 -1.158 -3.395) 3.887 4.605 ( 1.535 -0.341 -8.315) 8.462 4.796 ( 0.330 -0.835 7.689) 7.741 4.906 ( 2.996 2.054 -5.184) 6.330 4.998 ( -1.869 1.453 -5.127) 5.647 5.142 ( -2.386 -2.682 -2.827) 4.569 5.221 ( -1.519 -1.334 -0.366) 2.054 5.380 ( -0.335 1.482 -5.265) 5.480 5.643 ( -2.518 -0.459 5.308) 5.893 5.679 ( 1.259 1.248 5.376) 5.661 5.883 ( 4.389 -0.703 0.782) 4.513 6.027 ( -0.512 0.377 0.398) 0.750 6.092 ( 1.788 -2.767 -1.028) 3.452 6.144 ( -0.748 2.737 1.533) 3.225 6.205 ( 0.117 -3.482 1.571) 3.822 6.280 ( 2.892 -0.927 2.515) 3.943 6.341 ( 2.746 0.059 1.938) 3.361 6.661 ( -0.364 -3.620 -4.100) 5.482 6.997 ( 4.952 -1.202 0.967) 5.187 7.088 ( 5.855 0.609 -0.568) 5.914 7.222 ( -4.416 -2.241 -0.017) 4.952 7.323 ( -4.186 -2.237 -1.168) 4.888 7.528 ( 3.543 5.741 -4.272) 7.986 7.577 ( -0.548 3.203 -0.999) 3.400 7.825 ( -1.775 -3.497 0.497) 3.953 7.942 ( 3.429 -1.687 -1.109) 3.979 8.082 ( -4.463 -1.606 -1.536) 4.985 8.280 ( -4.223 4.358 -2.888) 6.721 8.336 ( -0.432 1.387 4.410) 4.643 8.430 ( -0.103 -0.044 1.549) 1.553 8.501 ( -0.644 0.204 6.121) 6.158 8.647 ( -0.839 -7.831 8.343) 11.473 8.753 ( -0.298 -0.500 -2.556) 2.622 8.790 ( 0.721 -1.698 -1.520) 2.390 11.798 ( -0.799 0.476 -0.065) 0.933 11.839 ( 0.509 0.700 -1.460) 1.697 11.885 ( 0.181 -0.690 2.433) 2.536 12.021 ( -0.028 -0.586 -0.851) 1.033 15.231 ( -0.365 1.509 0.399) 1.603 15.350 ( 1.148 6.400 -3.583) 7.424 15.497 ( 2.022 -3.395 3.747) 5.446 15.647 ( -0.127 0.066 -0.793) 0.806 15.702 ( -0.047 -0.978 2.452) 2.641 15.743 ( -3.743 -2.911 2.721) 5.467 15.928 ( 0.163 1.117 -3.853) 4.015 15.968 ( -0.158 3.420 -6.069) 6.968 16.117 ( -0.026 1.227 -0.053) 1.228 16.154 ( -1.208 1.686 0.097) 2.076 16.569 ( 3.665 -10.747 12.257) 16.708 16.776 ( 5.815 -4.663 1.063) 7.529 ======================= Grid point 59 (24/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 15.537 -0.000 16.456) 22.632 0.697 ( 10.911 -0.000 20.009) 22.790 1.013 ( 19.819 -0.000 16.586) 25.843 1.094 ( -2.763 0.000 -0.897) 2.905 1.345 ( -0.795 0.000 18.016) 18.033 1.600 ( 5.640 -0.000 -6.297) 8.453 1.636 ( 11.861 -0.000 -12.920) 17.539 2.042 ( -2.384 0.000 -0.428) 2.422 2.042 ( -8.038 0.000 4.052) 9.001 2.250 ( -5.058 0.000 0.045) 5.058 2.425 ( -6.641 0.000 -1.642) 6.841 2.436 ( -3.181 0.000 5.367) 6.239 2.561 ( -1.589 0.000 -6.334) 6.530 2.591 ( 3.307 -0.000 1.153) 3.502 2.650 ( 1.111 -0.000 7.849) 7.927 2.768 ( 1.096 -0.000 -3.113) 3.301 2.810 ( 1.640 -0.000 3.418) 3.791 3.041 ( 0.254 -0.000 2.296) 2.310 3.053 ( -0.280 0.000 -0.454) 0.533 3.078 ( 4.168 -0.000 0.022) 4.168 3.108 ( 1.612 -0.000 -0.829) 1.813 3.217 ( -1.134 0.000 -6.152) 6.256 3.423 ( 0.963 -0.000 -1.267) 1.592 3.509 ( 4.281 -0.000 -18.512) 19.001 3.645 ( -0.802 0.000 8.289) 8.328 3.948 ( 1.464 -0.000 7.264) 7.410 3.949 ( -1.439 0.000 1.344) 1.969 4.051 ( -1.454 0.000 0.825) 1.671 4.100 ( 1.812 -0.000 -2.274) 2.907 4.116 ( 1.139 -0.000 -1.393) 1.799 4.141 ( 2.714 -0.000 1.696) 3.200 4.268 ( -1.980 0.000 -0.655) 2.086 4.314 ( -2.154 0.000 -5.137) 5.570 4.492 ( 0.015 -0.000 -0.407) 0.407 4.560 ( -0.154 0.000 -10.713) 10.715 4.744 ( -7.792 0.000 10.199) 12.835 4.772 ( -3.080 0.000 -0.991) 3.235 4.852 ( 2.905 -0.000 -0.593) 2.965 4.937 ( 0.691 -0.000 -9.809) 9.834 5.158 ( 2.356 -0.000 -1.976) 3.075 5.199 ( 3.688 -0.000 2.072) 4.230 5.336 ( 0.695 -0.000 -2.104) 2.216 5.615 ( -2.180 0.000 5.473) 5.891 5.673 ( -0.798 0.000 5.943) 5.997 5.938 ( -4.374 0.000 0.845) 4.455 6.021 ( 1.431 -0.000 8.395) 8.516 6.050 ( -0.040 0.000 -4.716) 4.716 6.094 ( -5.351 0.000 -2.720) 6.003 6.191 ( -3.298 0.000 -3.225) 4.613 6.308 ( -6.127 0.000 2.618) 6.663 6.378 ( 3.047 -0.000 6.951) 7.589 6.694 ( 0.218 -0.000 -6.028) 6.032 7.007 ( -6.051 0.000 0.673) 6.088 7.063 ( -7.326 0.000 -2.120) 7.627 7.396 ( 2.875 -0.000 -2.393) 3.741 7.427 ( 9.079 -0.000 -3.617) 9.773 7.437 ( 1.319 -0.000 1.941) 2.347 7.513 ( 1.550 -0.000 0.769) 1.730 7.912 ( -1.319 0.000 -2.757) 3.056 7.959 ( 4.621 -0.000 2.720) 5.362 8.147 ( 4.850 -0.000 -3.462) 5.959 8.177 ( 1.623 -0.000 -2.507) 2.986 8.286 ( -2.396 0.000 0.903) 2.560 8.425 ( 0.014 -0.000 1.830) 1.830 8.481 ( -1.713 0.000 6.391) 6.617 8.616 ( -8.025 0.000 5.562) 9.764 8.779 ( 2.493 -0.000 -1.827) 3.091 8.822 ( 0.942 -0.000 -1.788) 2.021 11.768 ( -0.726 0.000 -0.573) 0.925 11.853 ( 1.251 -0.000 -0.891) 1.536 11.916 ( 0.521 -0.000 2.910) 2.956 12.005 ( -1.012 0.000 -0.887) 1.346 15.234 ( 0.438 -0.000 1.094) 1.178 15.235 ( -0.863 0.000 -0.558) 1.028 15.617 ( -4.803 0.000 3.186) 5.764 15.628 ( -0.542 0.000 -0.915) 1.064 15.678 ( 1.127 -0.000 0.608) 1.281 15.838 ( 7.550 -0.000 -2.191) 7.862 15.872 ( 1.667 -0.000 -2.052) 2.644 15.946 ( 1.016 -0.000 -2.162) 2.389 16.114 ( -0.497 0.000 -0.883) 1.013 16.141 ( 2.214 -0.000 0.932) 2.402 16.599 ( -17.772 0.000 12.843) 21.927 16.717 ( -4.727 0.000 1.740) 5.037 ======================= Grid point 60 (25/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 15.516 -4.440 13.713) 21.178 0.925 ( 7.148 -9.892 12.839) 17.713 1.062 ( -2.486 0.449 -0.966) 2.705 1.243 ( 5.051 -2.777 4.338) 7.214 1.559 ( 9.853 -7.502 4.110) 13.048 1.619 ( 12.747 -6.574 2.763) 14.606 1.846 ( 10.354 -8.090 -7.278) 15.020 2.000 ( -6.077 -2.618 4.567) 8.040 2.010 ( -2.959 0.222 -0.679) 3.044 2.161 ( -9.037 3.133 0.299) 9.570 2.315 ( -2.054 3.515 -3.894) 5.633 2.435 ( -5.111 -0.208 3.109) 5.986 2.477 ( -0.767 4.084 -3.649) 5.530 2.582 ( 0.595 2.915 1.221) 3.216 2.667 ( 0.722 1.412 4.913) 5.163 2.719 ( 1.328 4.189 0.998) 4.506 2.839 ( 3.100 0.765 1.043) 3.359 3.003 ( -1.791 4.963 0.763) 5.331 3.067 ( 1.386 1.414 0.309) 2.004 3.096 ( 4.820 -0.317 0.275) 4.839 3.121 ( -1.814 4.385 -4.037) 6.230 3.172 ( 1.350 -3.853 2.357) 4.714 3.470 ( -0.764 -3.462 -5.379) 6.442 3.537 ( 1.899 -1.608 -8.788) 9.134 3.672 ( -1.653 -2.721 5.967) 6.763 3.938 ( -2.650 -0.073 5.253) 5.884 3.965 ( -0.211 -1.416 4.510) 4.731 4.056 ( -1.983 1.833 -0.136) 2.704 4.109 ( -0.088 0.163 0.401) 0.441 4.134 ( 2.697 -1.571 -2.953) 4.297 4.195 ( 1.547 -3.674 -0.461) 4.013 4.254 ( -0.098 0.976 -1.811) 2.059 4.329 ( 0.913 -3.341 -2.663) 4.369 4.462 ( -0.593 1.978 -2.173) 2.998 4.509 ( -3.185 4.729 -2.004) 6.043 4.599 ( 0.228 1.527 1.444) 2.114 4.827 ( -0.739 -1.440 3.741) 4.076 4.882 ( -1.729 -0.923 -5.394) 5.739 4.954 ( 0.065 -2.344 -7.389) 7.752 5.182 ( 4.605 0.428 -2.474) 5.245 5.257 ( 5.749 -0.832 0.282) 5.815 5.343 ( 0.652 -0.345 -3.040) 3.128 5.581 ( -1.578 0.639 5.525) 5.781 5.724 ( -0.698 -4.157 3.954) 5.780 5.873 ( -5.634 2.350 -0.150) 6.106 5.969 ( -4.750 3.240 0.402) 5.764 6.031 ( -0.932 1.198 1.395) 2.061 6.106 ( -2.586 -3.720 -1.962) 4.937 6.185 ( -0.665 -1.953 -0.618) 2.154 6.281 ( -3.733 -1.640 2.780) 4.934 6.389 ( 1.506 1.799 4.738) 5.287 6.630 ( -0.777 4.737 -5.383) 7.213 6.955 ( -5.317 3.699 -0.392) 6.489 7.003 ( -4.897 -4.033 -0.542) 6.367 7.315 ( 1.047 5.026 -0.212) 5.139 7.387 ( 3.600 5.662 -0.105) 6.711 7.553 ( 1.020 -1.683 -0.001) 1.968 7.585 ( 3.893 -3.759 -2.133) 5.817 7.828 ( 0.373 5.287 -3.346) 6.268 8.025 ( 1.205 -0.491 1.609) 2.069 8.149 ( 4.794 0.248 -1.610) 5.063 8.224 ( 1.199 -1.594 -3.464) 3.998 8.321 ( -3.713 -5.405 1.265) 6.678 8.425 ( 0.095 0.359 3.111) 3.133 8.470 ( -1.164 0.840 6.911) 7.058 8.566 ( -1.162 -0.272 4.653) 4.804 8.774 ( 2.254 2.349 -1.781) 3.711 8.818 ( 0.751 1.188 -1.949) 2.403 11.767 ( -0.516 -0.594 -0.372) 0.870 11.872 ( 1.285 -0.898 -0.797) 1.758 11.913 ( 0.233 1.040 2.670) 2.875 11.990 ( -0.999 0.532 -1.198) 1.649 15.211 ( -0.675 -0.615 0.806) 1.218 15.326 ( -0.423 -6.296 -0.970) 6.384 15.548 ( -2.770 3.367 3.166) 5.389 15.619 ( -0.481 0.502 -1.135) 1.331 15.680 ( 1.161 0.655 1.881) 2.306 15.799 ( 3.266 3.682 1.451) 5.131 15.948 ( 1.243 0.069 -2.885) 3.142 15.981 ( 2.075 -2.461 -4.846) 5.818 16.126 ( 0.103 -2.573 -1.151) 2.821 16.183 ( 2.661 -1.662 0.431) 3.167 16.438 ( -8.480 3.615 10.439) 13.927 16.652 ( -6.843 2.062 0.416) 7.159 ======================= Grid point 61 (26/72) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -1.501 0.286 0.017) 1.528 1.076 ( 3.103 -4.188 1.186) 5.345 1.158 ( 9.502 -11.571 8.156) 17.050 1.379 ( 4.194 -7.244 9.451) 12.625 1.617 ( 5.220 -0.161 -6.754) 8.538 1.872 ( 1.420 0.275 -0.623) 1.575 2.004 ( -4.808 -2.519 3.045) 6.223 2.029 ( -4.835 -1.987 -2.633) 5.853 2.064 ( 5.339 -6.369 0.145) 8.312 2.097 ( 4.434 -3.276 2.493) 6.051 2.265 ( 1.577 -0.988 -5.938) 6.223 2.353 ( -3.623 2.125 -0.601) 4.243 2.418 ( -0.570 2.095 -1.221) 2.491 2.526 ( -0.854 2.864 0.726) 3.075 2.603 ( -0.562 4.592 1.890) 4.997 2.682 ( 2.224 4.264 2.976) 5.656 2.819 ( 2.968 7.414 -1.257) 8.084 2.845 ( -2.053 5.774 -3.433) 7.024 3.001 ( 3.713 0.578 -0.849) 3.852 3.134 ( -2.133 -2.520 5.266) 6.215 3.189 ( 4.730 -3.745 3.180) 6.820 3.251 ( 1.018 -3.555 2.588) 4.513 3.476 ( 0.099 2.497 -3.515) 4.313 3.559 ( -2.831 -1.055 0.679) 3.096 3.715 ( -3.056 -3.190 4.365) 6.210 3.898 ( -1.910 4.861 3.108) 6.077 3.952 ( -4.800 -2.009 2.202) 5.650 4.043 ( 0.587 -1.901 3.331) 3.880 4.092 ( -3.710 0.350 -1.460) 4.003 4.179 ( 0.800 -2.098 -2.264) 3.188 4.231 ( 2.174 -0.173 -2.374) 3.223 4.269 ( 1.115 -0.010 1.144) 1.597 4.398 ( 3.544 -0.880 -1.992) 4.159 4.416 ( -1.616 1.869 -2.857) 3.777 4.469 ( 0.910 -3.403 -1.667) 3.897 4.609 ( -0.240 -1.590 0.434) 1.666 4.828 ( 0.371 1.739 3.475) 3.904 4.857 ( -0.487 1.241 -7.133) 7.256 4.983 ( 0.237 -1.553 -5.373) 5.598 5.205 ( 3.904 1.476 -2.324) 4.777 5.309 ( 4.059 0.553 -0.058) 4.096 5.366 ( 2.486 -1.602 -2.217) 3.696 5.609 ( 1.601 -2.689 4.369) 5.375 5.741 ( -8.293 1.298 1.236) 8.485 5.802 ( -1.340 0.900 -0.146) 1.621 5.871 ( -2.426 -0.143 -2.748) 3.669 6.021 ( -1.248 0.040 3.656) 3.863 6.128 ( -3.475 -2.532 -2.213) 4.836 6.207 ( 0.345 0.465 1.927) 2.012 6.289 ( -2.468 -0.244 3.179) 4.032 6.385 ( 1.552 -1.208 -0.061) 1.968 6.539 ( -0.858 2.995 -4.387) 5.381 6.861 ( -3.361 1.682 0.859) 3.855 7.039 ( -2.950 -3.595 -1.750) 4.969 7.233 ( 2.589 6.335 0.558) 6.866 7.309 ( 0.691 4.067 0.971) 4.238 7.553 ( -1.515 0.470 -0.754) 1.756 7.647 ( 2.802 0.965 -3.878) 4.881 7.771 ( 2.189 0.714 -2.002) 3.051 8.013 ( 0.090 1.486 -2.049) 2.533 8.213 ( 2.527 -2.636 4.261) 5.612 8.234 ( 0.143 0.866 -1.877) 2.073 8.382 ( -2.228 -2.792 -0.625) 3.627 8.424 ( 0.589 0.440 4.150) 4.214 8.476 ( -0.894 -2.829 5.121) 5.918 8.594 ( 0.871 -1.218 3.001) 3.354 8.735 ( 0.789 3.135 -1.559) 3.589 8.790 ( 0.615 2.058 -1.673) 2.723 11.779 ( -0.227 -1.078 0.030) 1.102 11.891 ( -0.098 1.317 1.726) 2.174 11.906 ( 1.061 -1.287 -0.327) 1.700 11.964 ( -0.677 1.286 -1.399) 2.018 15.234 ( -0.892 -2.378 1.220) 2.817 15.437 ( -0.375 -5.424 -2.304) 5.906 15.468 ( -1.152 3.039 3.701) 4.926 15.600 ( -0.136 1.073 -1.260) 1.660 15.683 ( 0.927 0.537 2.690) 2.896 15.769 ( 1.544 2.381 2.157) 3.564 15.946 ( 0.792 0.576 -3.065) 3.218 15.996 ( 0.632 0.422 -3.391) 3.475 16.195 ( -0.211 -3.559 -1.478) 3.860 16.239 ( 3.251 -1.477 -1.060) 3.725 16.347 ( -3.557 1.259 6.657) 7.652 16.542 ( -5.593 3.084 -0.214) 6.391 ======================= Grid point 62 (27/72) ======================= q-point: ( 0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.643 -0.438 0.929) 1.211 1.104 ( -0.616 0.018 -0.732) 0.957 1.448 ( 5.036 -6.936 4.136) 9.517 1.536 ( 4.552 -3.886 6.918) 9.148 1.608 ( 2.090 6.076 -2.271) 6.815 1.851 ( -2.492 -1.424 -5.385) 6.102 1.938 ( -1.712 0.671 -2.001) 2.718 2.060 ( -1.169 0.884 2.947) 3.291 2.124 ( -0.517 1.708 -2.044) 2.713 2.162 ( 1.954 -3.949 -1.775) 4.750 2.306 ( 4.434 -1.799 -5.373) 7.195 2.357 ( -3.436 0.754 2.833) 4.517 2.403 ( 2.279 1.759 -3.127) 4.250 2.466 ( -1.202 1.497 -0.228) 1.933 2.528 ( -3.014 -0.437 1.405) 3.354 2.613 ( 0.773 1.806 3.013) 3.597 2.668 ( -2.357 4.891 -0.673) 5.471 2.798 ( 1.812 1.819 -5.514) 6.082 3.079 ( -5.240 5.407 2.861) 8.055 3.114 ( 6.566 -2.116 -1.500) 7.060 3.258 ( -0.151 0.519 5.943) 5.967 3.375 ( 2.929 -3.576 4.228) 6.265 3.391 ( 0.925 0.858 5.876) 6.009 3.523 ( -2.531 1.325 3.189) 4.281 3.753 ( -1.797 -3.437 4.072) 5.623 3.827 ( -0.811 1.414 1.670) 2.334 3.972 ( -3.061 -2.957 -0.210) 4.261 4.023 ( -3.830 1.267 -0.783) 4.109 4.096 ( 1.629 -1.024 0.446) 1.975 4.217 ( 0.392 -1.405 -0.219) 1.475 4.258 ( -1.564 0.006 2.793) 3.201 4.271 ( 3.563 -1.158 -1.114) 3.909 4.387 ( -1.686 0.189 -4.786) 5.078 4.427 ( 2.952 0.435 -1.023) 3.154 4.534 ( 1.114 -1.490 -1.262) 2.248 4.657 ( -1.157 -4.288 0.391) 4.458 4.794 ( -0.370 1.475 1.266) 1.978 4.803 ( 0.587 3.943 -7.585) 8.569 5.008 ( 1.327 -1.170 -4.330) 4.677 5.183 ( 1.108 2.883 -2.766) 4.147 5.319 ( 2.903 1.828 0.261) 3.441 5.416 ( 1.996 -0.440 -0.506) 2.106 5.613 ( -5.016 1.026 2.535) 5.713 5.701 ( -1.251 -0.575 0.766) 1.575 5.783 ( 2.245 -3.481 -1.123) 4.291 5.914 ( 0.916 -1.969 -1.350) 2.557 6.011 ( -2.800 -0.666 3.405) 4.458 6.127 ( -0.718 -0.157 0.919) 1.176 6.205 ( -1.522 1.545 2.676) 3.445 6.250 ( 0.334 -0.585 -2.020) 2.129 6.452 ( 1.024 -2.455 -2.768) 3.839 6.486 ( -0.772 1.342 -2.157) 2.655 6.845 ( -1.929 -2.321 2.222) 3.747 7.078 ( -0.906 -3.027 -2.862) 4.263 7.132 ( 2.809 6.761 1.480) 7.470 7.263 ( -1.662 0.978 1.451) 2.413 7.533 ( -1.691 -0.666 -1.755) 2.527 7.629 ( 1.331 1.301 -4.007) 4.418 7.801 ( 4.372 0.123 -2.091) 4.848 7.975 ( -2.395 1.505 -2.746) 3.942 8.201 ( -0.137 2.311 -0.017) 2.316 8.292 ( 1.428 -3.132 5.698) 6.657 8.377 ( -0.601 1.080 2.729) 2.996 8.434 ( 1.132 -0.040 1.947) 2.253 8.555 ( -1.191 -5.143 1.452) 5.475 8.605 ( 0.701 1.603 1.911) 2.591 8.674 ( -1.314 2.535 -0.986) 3.020 8.762 ( 0.505 1.100 -0.757) 1.428 11.802 ( 0.099 -1.426 0.555) 1.533 11.863 ( -0.458 1.500 1.485) 2.160 11.929 ( 0.069 1.826 -1.041) 2.103 11.941 ( 0.320 -1.727 -1.147) 2.097 15.280 ( -0.598 -3.104 1.489) 3.494 15.392 ( -0.718 3.311 2.183) 4.030 15.537 ( -0.309 -4.159 -1.401) 4.400 15.576 ( 0.463 1.273 -0.817) 1.581 15.679 ( 0.223 0.744 3.055) 3.152 15.744 ( 0.496 1.583 1.843) 2.479 15.939 ( 0.581 0.375 -3.244) 3.317 15.992 ( 0.626 -0.036 -3.049) 3.112 16.209 ( -2.320 0.330 0.330) 2.366 16.264 ( 2.572 1.391 -0.834) 3.041 16.378 ( 0.518 -4.034 2.310) 4.678 16.462 ( -2.830 0.475 0.255) 2.881 ======================= Grid point 63 (28/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.177 -0.646 0.291) 0.730 1.075 ( -0.294 2.870 -0.951) 3.038 1.345 ( 5.138 19.214 1.351) 19.935 1.457 ( -2.993 7.866 6.310) 10.519 1.678 ( 0.960 -4.880 2.114) 5.404 1.842 ( 0.610 2.163 -6.467) 6.847 1.913 ( -8.902 6.111 -4.062) 11.536 2.014 ( 6.314 1.963 -5.478) 8.587 2.135 ( 6.531 -3.148 -1.186) 7.346 2.173 ( 0.252 1.414 -2.068) 2.518 2.275 ( -8.170 -0.257 0.191) 8.177 2.397 ( 3.207 -3.756 -3.214) 5.892 2.442 ( -0.265 -1.196 1.418) 1.874 2.462 ( -0.890 -3.913 6.653) 7.770 2.554 ( -0.322 -2.998 0.962) 3.165 2.593 ( -3.147 0.425 -0.857) 3.289 2.679 ( 0.090 -6.121 1.295) 6.257 2.736 ( -0.572 9.168 5.848) 10.889 2.875 ( -2.269 1.775 -1.669) 3.329 3.183 ( -1.214 4.857 6.138) 7.921 3.207 ( 3.843 -1.015 -3.980) 5.625 3.393 ( -4.203 3.985 7.076) 9.144 3.426 ( 0.345 -2.870 4.156) 5.063 3.560 ( 3.446 -1.822 -0.627) 3.948 3.804 ( -0.326 0.713 2.174) 2.311 3.835 ( 1.537 -4.438 4.236) 6.324 3.960 ( -0.321 1.577 -0.057) 1.610 4.010 ( -1.771 -1.819 -0.768) 2.653 4.125 ( 0.032 -1.212 -1.131) 1.657 4.219 ( 0.587 1.091 -1.172) 1.705 4.275 ( -2.168 -2.126 1.868) 3.565 4.309 ( 1.692 -0.032 -0.639) 1.809 4.347 ( 0.462 2.207 -3.617) 4.262 4.444 ( -0.675 -1.099 2.945) 3.215 4.527 ( 1.292 2.685 -2.353) 3.797 4.705 ( -0.554 5.033 -8.037) 9.499 4.736 ( -0.534 -4.171 2.479) 4.881 4.800 ( 0.242 -2.699 -3.401) 4.349 5.038 ( 1.118 -1.107 -4.092) 4.384 5.127 ( -0.043 2.801 -2.045) 3.468 5.285 ( 0.336 3.470 -0.160) 3.490 5.399 ( -0.736 1.538 -1.993) 2.623 5.600 ( -2.025 -1.957 2.677) 3.886 5.709 ( 1.110 -0.572 1.966) 2.329 5.889 ( 5.796 -0.273 -3.204) 6.628 5.948 ( -1.535 -4.180 1.534) 4.710 6.014 ( -1.660 -2.673 4.434) 5.437 6.127 ( -1.419 3.920 2.593) 4.909 6.162 ( 0.839 -2.870 0.207) 2.997 6.317 ( 1.384 -3.718 -2.824) 4.870 6.391 ( -1.131 5.088 -0.895) 5.289 6.525 ( 1.059 -2.313 -3.447) 4.284 6.906 ( -0.468 -4.636 2.954) 5.517 7.065 ( 2.260 2.883 1.839) 4.099 7.129 ( 0.383 -2.939 -3.343) 4.467 7.240 ( -3.106 -0.841 0.929) 3.349 7.549 ( -1.236 -2.585 -2.111) 3.559 7.625 ( 2.016 0.127 -5.661) 6.010 7.825 ( 3.697 1.490 -0.569) 4.026 7.908 ( -3.612 1.661 -2.554) 4.725 8.155 ( 0.654 2.864 0.870) 3.064 8.332 ( -1.202 0.321 2.691) 2.965 8.382 ( 1.164 -1.346 5.410) 5.695 8.438 ( 0.064 0.813 1.454) 1.668 8.551 ( -1.078 2.898 2.920) 4.253 8.607 ( -0.646 1.170 2.681) 2.995 8.659 ( -0.324 -3.466 -2.261) 4.151 8.755 ( -0.086 -0.064 -0.719) 0.727 11.831 ( -0.889 -0.296 0.571) 1.097 11.835 ( 0.594 0.122 1.367) 1.495 11.895 ( 0.256 1.728 -0.908) 1.969 11.973 ( 0.016 -1.654 -1.202) 2.045 15.316 ( -0.405 1.458 0.925) 1.774 15.358 ( 0.066 -2.073 2.626) 3.346 15.530 ( 0.132 2.760 -1.613) 3.199 15.601 ( -0.232 -1.911 -0.183) 1.934 15.675 ( -0.473 -0.099 2.537) 2.582 15.727 ( -0.044 0.625 2.035) 2.130 15.936 ( 0.444 0.013 -3.167) 3.198 16.002 ( 0.942 -0.586 -4.409) 4.546 16.175 ( -1.095 1.318 0.898) 1.934 16.247 ( 1.409 2.496 -1.109) 3.073 16.401 ( -1.694 -0.731 4.181) 4.570 16.537 ( 1.638 -6.773 -0.421) 6.981 ======================= Grid point 64 (29/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -2.500 14.962 2.626) 15.395 1.002 ( 8.259 20.365 4.143) 22.363 1.089 ( 0.310 0.368 0.382) 0.615 1.292 ( -4.197 6.145 3.389) 8.177 1.606 ( -4.752 10.015 -4.273) 11.881 1.664 ( -2.484 12.152 6.631) 14.064 1.779 ( 6.282 6.977 -4.883) 10.582 2.065 ( 0.016 -1.488 -4.036) 4.301 2.165 ( 0.680 0.924 5.290) 5.413 2.205 ( 0.664 -4.220 -0.533) 4.305 2.275 ( 1.891 2.158 3.263) 4.345 2.380 ( -4.459 -3.939 2.730) 6.546 2.480 ( -1.114 -4.825 -1.176) 5.089 2.571 ( 1.703 -1.048 3.317) 3.873 2.597 ( -3.027 -1.091 -0.318) 3.233 2.612 ( -1.320 -5.374 0.864) 5.601 2.689 ( 0.788 -6.948 2.159) 7.318 2.821 ( 5.208 -5.248 -2.247) 7.728 2.939 ( -0.772 -7.674 -3.095) 8.310 3.106 ( -1.343 2.588 3.879) 4.853 3.207 ( 1.877 3.185 -1.311) 3.923 3.263 ( -4.811 5.846 6.785) 10.166 3.467 ( 1.400 -1.057 -6.160) 6.405 3.565 ( 1.754 3.317 0.376) 3.771 3.755 ( -0.619 4.058 3.867) 5.640 3.935 ( 1.659 1.797 4.001) 4.689 3.959 ( 1.254 -4.892 1.977) 5.424 4.022 ( 0.342 -0.815 -2.223) 2.393 4.113 ( -2.196 1.456 -2.710) 3.779 4.208 ( 0.562 1.931 -1.908) 2.773 4.237 ( -0.052 1.991 -1.840) 2.711 4.304 ( -1.219 2.392 -2.923) 3.969 4.354 ( -0.737 -2.958 3.647) 4.753 4.465 ( 2.208 0.455 5.045) 5.526 4.491 ( -1.707 -1.074 -3.165) 3.753 4.610 ( -0.980 2.970 -7.995) 8.585 4.786 ( -0.285 -1.653 6.648) 6.856 4.878 ( 1.041 -4.358 -9.160) 10.197 5.029 ( -0.086 1.985 -2.424) 3.135 5.111 ( 1.374 -0.546 -3.331) 3.644 5.221 ( -0.272 2.586 -0.232) 2.610 5.375 ( -0.970 0.101 -3.482) 3.616 5.612 ( -2.294 -0.706 3.808) 4.501 5.727 ( 2.139 1.098 3.597) 4.326 5.906 ( 2.083 -0.072 -1.883) 2.809 6.013 ( -0.906 -4.269 -0.248) 4.372 6.050 ( -2.401 2.599 3.112) 4.712 6.123 ( 1.581 -6.058 4.073) 7.469 6.206 ( -0.464 0.746 -0.164) 0.894 6.297 ( 1.124 2.856 0.449) 3.101 6.362 ( 0.692 -0.252 0.226) 0.770 6.579 ( 0.167 -3.861 -4.689) 6.077 6.992 ( -0.407 -4.063 2.810) 4.957 7.072 ( 1.569 -1.056 2.093) 2.821 7.179 ( 1.509 -2.498 -3.175) 4.313 7.244 ( -2.749 -2.204 -0.721) 3.597 7.580 ( -0.530 -1.070 -2.709) 2.961 7.631 ( 2.056 1.199 -7.145) 7.531 7.787 ( -2.153 1.591 1.170) 2.921 7.906 ( 2.773 -2.230 -1.470) 3.850 8.110 ( 1.122 3.369 2.093) 4.122 8.298 ( -2.299 1.909 -1.956) 3.572 8.393 ( 0.451 1.966 4.723) 5.135 8.425 ( -0.451 -0.326 3.138) 3.187 8.510 ( -1.122 1.652 4.361) 4.796 8.575 ( -1.988 0.135 5.961) 6.286 8.723 ( 0.387 -2.662 -2.789) 3.875 8.765 ( 0.537 -1.293 -0.801) 1.613 11.804 ( -0.910 0.992 0.085) 1.349 11.859 ( 0.954 0.250 -0.205) 1.008 11.877 ( 0.309 -0.164 1.365) 1.409 11.998 ( -0.383 -1.383 -1.338) 1.962 15.266 ( -0.720 2.587 0.798) 2.802 15.431 ( 2.048 -2.586 -0.892) 3.417 15.463 ( -0.523 2.929 1.005) 3.141 15.624 ( -0.425 -1.184 -0.123) 1.264 15.673 ( -1.857 -0.539 2.096) 2.852 15.727 ( 0.290 -0.021 2.988) 3.002 15.937 ( 0.512 0.044 -3.062) 3.105 16.005 ( 0.602 0.753 -6.317) 6.390 16.149 ( 0.971 1.545 0.589) 1.917 16.196 ( 0.266 3.422 -1.377) 3.698 16.441 ( -1.844 -5.010 8.941) 10.413 16.679 ( 0.150 -7.272 -0.421) 7.286 ======================= Grid point 67 (30/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 8.068 -0.000 14.947) 16.986 1.016 ( 17.005 -0.000 8.144) 18.855 1.042 ( -1.647 0.000 0.046) 1.647 1.267 ( 2.099 -0.000 8.666) 8.916 1.548 ( 11.022 -0.000 9.815) 14.758 1.736 ( 15.212 -0.000 1.913) 15.332 1.843 ( 10.193 -0.000 -13.215) 16.689 1.931 ( -3.858 0.000 1.698) 4.215 1.991 ( -1.233 0.000 2.804) 3.063 2.130 ( -5.995 0.000 -1.614) 6.208 2.277 ( -8.161 0.000 -1.225) 8.253 2.410 ( -0.910 0.000 0.447) 1.014 2.499 ( -2.934 0.000 -5.162) 5.938 2.605 ( -1.884 0.000 2.467) 3.104 2.688 ( 0.783 -0.000 7.273) 7.315 2.756 ( -2.155 0.000 -0.181) 2.163 2.886 ( 4.165 -0.000 3.144) 5.219 3.040 ( -0.614 0.000 2.118) 2.205 3.051 ( 0.211 -0.000 -0.852) 0.878 3.148 ( 1.974 -0.000 0.101) 1.976 3.157 ( 3.359 -0.000 0.280) 3.371 3.178 ( -0.941 0.000 -6.274) 6.344 3.382 ( -4.310 0.000 -3.515) 5.561 3.540 ( 3.353 -0.000 -13.795) 14.197 3.637 ( -2.529 0.000 7.890) 8.285 3.921 ( -1.747 0.000 2.954) 3.432 3.980 ( 0.376 -0.000 8.362) 8.370 4.046 ( 0.313 -0.000 1.491) 1.523 4.099 ( -3.709 0.000 -2.887) 4.700 4.148 ( -1.945 0.000 2.643) 3.281 4.160 ( 5.301 -0.000 -2.755) 5.974 4.274 ( 0.389 -0.000 -5.146) 5.161 4.312 ( 5.639 -0.000 1.343) 5.797 4.485 ( -1.083 0.000 -1.025) 1.491 4.519 ( -1.665 0.000 -8.759) 8.916 4.664 ( -3.336 0.000 8.604) 9.228 4.709 ( -2.701 0.000 -2.697) 3.818 4.865 ( -0.429 0.000 0.455) 0.625 4.943 ( 2.569 -0.000 -9.501) 9.843 5.230 ( 5.532 -0.000 -2.246) 5.971 5.315 ( 7.821 -0.000 0.547) 7.840 5.345 ( 0.998 -0.000 -2.517) 2.708 5.593 ( -1.371 0.000 5.209) 5.386 5.657 ( -2.643 0.000 3.627) 4.488 5.846 ( -6.042 0.000 0.789) 6.093 5.974 ( -6.305 0.000 -0.806) 6.356 5.997 ( -4.708 0.000 -5.092) 6.935 6.060 ( 0.229 -0.000 7.545) 7.548 6.148 ( -0.476 0.000 -3.111) 3.147 6.232 ( -2.732 0.000 1.936) 3.349 6.424 ( 0.221 -0.000 4.764) 4.769 6.677 ( -0.084 0.000 -5.799) 5.800 6.907 ( -4.477 0.000 0.292) 4.487 6.943 ( -5.043 0.000 -2.013) 5.430 7.342 ( -3.536 0.000 0.072) 3.537 7.462 ( -0.055 0.000 -4.092) 4.092 7.576 ( 8.758 -0.000 -0.778) 8.792 7.606 ( 5.108 -0.000 4.380) 6.729 7.872 ( -2.996 0.000 -2.786) 4.091 8.023 ( 0.583 -0.000 0.722) 0.928 8.198 ( 0.351 -0.000 -0.647) 0.736 8.201 ( 3.156 -0.000 -4.869) 5.802 8.245 ( -0.931 0.000 1.200) 1.519 8.430 ( -0.653 0.000 3.787) 3.843 8.481 ( -0.355 0.000 7.399) 7.408 8.553 ( -0.749 0.000 2.471) 2.582 8.826 ( 2.817 -0.000 -2.041) 3.479 8.828 ( 0.351 -0.000 -2.450) 2.475 11.758 ( -0.206 0.000 -0.274) 0.343 11.873 ( 1.023 -0.000 -1.032) 1.453 11.928 ( 0.026 -0.000 2.550) 2.550 11.984 ( -0.831 0.000 -0.692) 1.081 15.222 ( -0.383 0.000 -0.148) 0.411 15.243 ( 0.134 -0.000 1.456) 1.462 15.550 ( -3.504 0.000 3.511) 4.960 15.618 ( -0.296 0.000 -0.710) 0.769 15.696 ( 0.654 -0.000 1.381) 1.528 15.900 ( 1.761 -0.000 -1.998) 2.663 15.947 ( 5.159 -0.000 -2.941) 5.939 15.961 ( 1.258 -0.000 -2.710) 2.988 16.107 ( 0.093 -0.000 -1.095) 1.099 16.191 ( 2.853 -0.000 1.278) 3.126 16.397 ( -8.890 0.000 9.773) 13.212 16.608 ( -6.935 0.000 0.229) 6.938 ======================= Grid point 68 (31/72) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.536 -0.071 -0.386) 1.586 1.028 ( 4.553 -3.890 3.820) 7.103 1.167 ( 13.786 -1.580 8.949) 16.512 1.341 ( 5.601 -3.548 11.273) 13.079 1.649 ( 0.234 -3.863 3.043) 4.923 1.808 ( -5.353 -0.337 0.247) 5.369 1.909 ( -1.225 -0.062 2.128) 2.456 2.012 ( 5.656 -3.315 -3.298) 7.339 2.019 ( 1.926 -0.914 -1.910) 2.862 2.093 ( 11.055 -2.586 -1.915) 11.514 2.261 ( -1.164 -3.199 -2.313) 4.115 2.365 ( -1.787 3.914 -0.718) 4.362 2.451 ( -0.836 1.660 -3.556) 4.012 2.566 ( -3.350 1.948 2.474) 4.597 2.665 ( -2.968 3.319 1.238) 4.621 2.730 ( -0.418 0.464 5.199) 5.236 2.897 ( 2.607 1.794 -0.876) 3.284 2.989 ( 0.031 4.400 2.985) 5.317 3.070 ( -1.510 6.597 -5.758) 8.885 3.092 ( 0.811 -1.999 0.606) 2.241 3.186 ( 2.595 -1.513 1.170) 3.224 3.201 ( 1.743 -2.965 0.903) 3.556 3.405 ( -3.733 -5.441 -3.589) 7.511 3.542 ( 0.736 0.795 -7.264) 7.344 3.640 ( -3.289 -2.093 6.864) 7.894 3.901 ( -1.817 0.704 2.870) 3.470 3.978 ( 0.067 2.349 6.794) 7.189 4.025 ( -3.347 1.285 0.978) 3.716 4.072 ( -1.472 -0.247 -1.223) 1.930 4.146 ( -0.328 -1.577 0.533) 1.696 4.244 ( 3.252 -1.263 -2.560) 4.327 4.264 ( 2.020 -1.047 0.091) 2.277 4.391 ( 3.044 -1.896 -1.987) 4.100 4.444 ( -0.052 1.290 -2.926) 3.198 4.463 ( -0.269 2.645 -2.482) 3.637 4.605 ( -0.076 0.924 2.396) 2.569 4.794 ( -2.640 -5.641 -3.723) 7.256 4.855 ( -0.326 0.804 2.186) 2.351 4.963 ( 2.734 -0.634 -7.399) 7.914 5.266 ( 4.140 1.245 -3.121) 5.332 5.362 ( 2.672 -0.964 -1.520) 3.222 5.377 ( 6.898 1.022 0.443) 6.988 5.592 ( 1.831 -1.106 3.729) 4.299 5.661 ( -7.071 -1.857 1.381) 7.440 5.781 ( -6.579 0.558 -0.277) 6.609 5.869 ( -1.814 2.206 -2.159) 3.580 6.017 ( -4.953 -4.334 -2.321) 6.979 6.038 ( -0.750 2.084 4.807) 5.292 6.184 ( 0.074 -2.832 0.441) 2.868 6.236 ( -1.748 -2.192 2.089) 3.497 6.406 ( -0.763 1.662 2.384) 3.004 6.609 ( 0.140 4.990 -4.659) 6.828 6.876 ( -3.094 2.381 -0.925) 4.012 6.931 ( -2.621 -4.661 -1.012) 5.442 7.304 ( -1.088 1.274 -0.526) 1.756 7.413 ( 0.150 4.571 -1.478) 4.806 7.592 ( 2.260 3.978 2.319) 5.129 7.680 ( 5.659 -0.834 -2.171) 6.118 7.809 ( -1.181 2.016 -1.118) 2.590 8.017 ( -2.486 -0.113 -1.575) 2.945 8.212 ( 1.513 0.173 -0.297) 1.552 8.251 ( 1.974 -1.014 -0.556) 2.288 8.263 ( -0.915 -4.520 -0.100) 4.613 8.426 ( -0.968 -0.008 4.117) 4.229 8.484 ( 0.442 0.478 6.682) 6.714 8.573 ( 0.485 -1.665 2.148) 2.760 8.808 ( 1.514 2.605 -2.072) 3.656 8.823 ( 0.659 1.733 -2.516) 3.126 11.763 ( 0.091 -0.588 0.023) 0.595 11.887 ( 0.398 -0.860 -1.427) 1.713 11.919 ( -0.226 1.080 2.285) 2.538 11.975 ( -0.241 0.468 -0.488) 0.718 15.205 ( -0.206 -0.225 1.260) 1.296 15.320 ( -0.249 -5.829 -0.274) 5.841 15.507 ( -2.359 1.984 3.016) 4.312 15.613 ( 0.047 0.370 -0.715) 0.807 15.699 ( 0.480 0.358 2.078) 2.163 15.853 ( 2.166 4.254 0.102) 4.775 15.962 ( 0.994 0.593 -2.915) 3.137 16.005 ( 1.710 -0.384 -3.952) 4.323 16.134 ( 1.015 -2.805 -0.255) 2.994 16.234 ( 2.565 -1.600 0.839) 3.137 16.335 ( -5.202 0.424 6.545) 8.371 16.530 ( -6.143 1.698 -0.599) 6.402 ======================= Grid point 69 (32/72) ======================= q-point: ( 0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.654 -0.328 1.016) 1.252 1.085 ( -0.237 -1.175 -0.318) 1.241 1.384 ( 8.796 -6.120 3.126) 11.162 1.467 ( 3.138 -6.240 4.945) 8.557 1.685 ( -1.983 1.860 2.936) 4.001 1.796 ( -1.915 -4.266 2.062) 5.110 1.931 ( -3.710 0.962 -6.581) 7.616 1.970 ( -1.466 -7.330 11.348) 13.589 2.093 ( -3.412 1.041 0.505) 3.603 2.198 ( 4.225 3.547 -2.888) 6.227 2.322 ( 5.565 -0.370 -4.067) 6.903 2.348 ( 5.296 -2.822 -3.951) 7.184 2.441 ( 2.699 -0.428 -1.424) 3.082 2.479 ( -3.894 3.489 -1.138) 5.351 2.567 ( -3.293 3.790 0.912) 5.102 2.665 ( -3.750 5.564 0.457) 6.726 2.827 ( 0.938 10.619 -1.691) 10.794 2.871 ( 2.517 3.856 -4.631) 6.531 3.051 ( 1.106 -3.164 2.805) 4.371 3.148 ( 2.155 -1.674 1.517) 3.122 3.235 ( 0.592 -2.519 3.169) 4.091 3.316 ( 2.898 -6.554 1.169) 7.261 3.439 ( -3.744 -0.385 -0.893) 3.868 3.503 ( -2.514 2.047 1.682) 3.652 3.670 ( -2.670 -3.388 6.258) 7.601 3.868 ( -3.429 4.206 1.666) 5.676 3.896 ( 0.118 -0.350 0.580) 0.687 3.997 ( -3.355 -0.865 3.134) 4.672 4.097 ( 2.386 -1.483 0.872) 2.942 4.180 ( -0.316 -1.576 -0.210) 1.621 4.249 ( -0.711 0.081 0.180) 0.738 4.315 ( 3.372 1.264 -1.190) 3.792 4.358 ( -2.179 -0.132 -4.046) 4.598 4.470 ( 3.307 -0.316 -0.947) 3.454 4.498 ( 2.740 -2.522 -2.495) 4.483 4.600 ( -0.976 -0.778 2.899) 3.157 4.806 ( -2.662 0.558 -2.560) 3.735 4.852 ( 1.113 0.816 -2.388) 2.758 4.998 ( 2.559 -1.312 -4.490) 5.332 5.241 ( 0.603 2.980 -4.435) 5.377 5.398 ( 5.539 2.126 -0.279) 5.940 5.428 ( 3.757 -1.196 1.850) 4.355 5.574 ( -7.567 0.684 1.195) 7.691 5.687 ( -1.178 0.010 1.812) 2.161 5.706 ( -1.018 -4.129 -2.265) 4.818 5.899 ( 3.692 -2.238 -1.707) 4.642 5.989 ( -3.161 0.962 0.988) 3.449 6.058 ( -3.086 -3.647 0.731) 4.833 6.212 ( -0.387 -0.217 3.269) 3.299 6.257 ( -1.778 -0.080 1.727) 2.480 6.399 ( 0.182 -2.394 -1.267) 2.714 6.527 ( 0.640 3.628 -3.660) 5.193 6.820 ( -1.374 0.948 0.780) 1.842 6.995 ( -1.245 -4.280 -2.337) 5.033 7.275 ( 2.050 3.213 0.160) 3.814 7.304 ( -1.050 5.786 0.949) 5.956 7.526 ( -1.460 2.742 0.975) 3.256 7.674 ( 0.851 2.410 -3.271) 4.151 7.833 ( 5.018 -1.170 -2.817) 5.873 7.976 ( -3.064 1.458 -3.298) 4.732 8.218 ( -0.847 -0.146 0.227) 0.889 8.274 ( 1.500 -0.714 5.717) 5.953 8.345 ( -0.921 -3.474 -2.395) 4.318 8.435 ( -0.405 -1.375 4.377) 4.606 8.494 ( 0.617 -0.592 4.937) 5.011 8.611 ( 0.523 -1.413 1.708) 2.277 8.746 ( 0.770 4.863 -1.253) 5.080 8.789 ( -0.117 1.690 -2.359) 2.904 11.781 ( 0.290 -1.092 0.410) 1.202 11.886 ( -0.703 1.133 0.791) 1.550 11.913 ( -0.182 -0.952 -0.872) 1.303 11.960 ( 0.625 1.173 -0.246) 1.352 15.230 ( 0.013 -2.191 1.917) 2.911 15.417 ( -1.181 -2.963 -1.968) 3.748 15.461 ( -0.382 -0.338 3.211) 3.252 15.603 ( 0.636 0.969 -0.723) 1.366 15.696 ( -0.136 0.643 2.697) 2.775 15.796 ( 0.585 3.297 0.941) 3.478 15.951 ( 0.532 0.787 -2.967) 3.115 16.001 ( 0.778 0.778 -3.599) 3.763 16.185 ( -0.634 -1.341 0.718) 1.648 16.299 ( 3.548 -2.034 -1.263) 4.280 16.312 ( -1.895 -1.557 4.097) 4.775 16.449 ( -4.027 1.692 -0.153) 4.370 ======================= Grid point 70 (33/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.016 -0.740 1.424) 1.605 1.094 ( -0.176 -0.217 -0.635) 0.694 1.473 ( -1.319 -3.007 1.368) 3.557 1.625 ( -5.290 0.184 4.502) 6.949 1.641 ( 3.758 2.353 -0.332) 4.446 1.832 ( -5.790 -0.961 -1.039) 5.961 1.865 ( 8.147 -0.499 -4.472) 9.308 2.036 ( -2.014 -2.759 0.416) 3.442 2.166 ( 3.401 0.855 0.476) 3.539 2.193 ( -1.213 -7.117 4.681) 8.604 2.274 ( -1.855 7.163 -3.125) 8.033 2.334 ( -0.288 2.782 -3.730) 4.662 2.444 ( 4.347 3.589 -0.963) 5.719 2.479 ( -1.226 -2.176 -0.667) 2.585 2.497 ( -2.965 2.148 -0.571) 3.706 2.563 ( 0.100 -2.340 0.226) 2.353 2.677 ( 2.077 5.841 -0.515) 6.220 2.836 ( 2.536 1.796 -7.138) 7.785 3.016 ( -2.083 9.751 5.477) 11.376 3.191 ( 1.760 -2.949 0.493) 3.470 3.283 ( 1.102 3.375 2.935) 4.607 3.381 ( -1.536 -0.351 6.061) 6.263 3.434 ( -1.980 2.386 7.981) 8.562 3.470 ( -2.745 -8.045 -1.293) 8.598 3.735 ( -1.186 -4.503 4.671) 6.595 3.816 ( -0.310 -0.706 1.287) 1.500 3.942 ( 0.639 -2.781 -0.183) 2.859 4.000 ( 0.909 -0.249 2.639) 2.802 4.132 ( 2.336 0.694 -1.589) 2.909 4.200 ( -1.840 -1.893 -0.121) 2.642 4.213 ( -3.353 -0.184 0.418) 3.384 4.327 ( 0.816 -0.234 -3.332) 3.439 4.370 ( 2.401 -0.247 -0.486) 2.462 4.463 ( 0.664 2.689 -0.481) 2.811 4.552 ( 0.810 -1.441 -2.202) 2.753 4.633 ( -0.875 -2.957 2.178) 3.775 4.768 ( -1.789 -0.039 -2.187) 2.825 4.813 ( 1.922 4.040 -5.277) 6.918 5.037 ( 2.550 -0.633 -3.573) 4.434 5.172 ( -1.155 3.109 -4.020) 5.212 5.365 ( 0.034 4.162 0.324) 4.175 5.432 ( -0.159 2.503 -0.518) 2.561 5.555 ( -0.019 -1.874 2.826) 3.391 5.681 ( -0.716 -2.942 -0.141) 3.031 5.836 ( 1.358 -5.828 1.527) 6.176 5.941 ( 3.118 0.987 -3.882) 5.075 5.969 ( -1.767 -1.381 1.886) 2.931 6.099 ( -2.673 -3.271 2.733) 5.031 6.186 ( -1.115 2.572 4.341) 5.167 6.257 ( 0.830 -2.088 -3.158) 3.875 6.458 ( 1.077 1.097 -2.836) 3.226 6.481 ( 0.080 -1.695 -2.162) 2.748 6.829 ( -0.402 -2.618 2.348) 3.539 7.062 ( 0.038 -3.896 -3.236) 5.065 7.169 ( -0.261 6.067 2.601) 6.606 7.248 ( 0.832 2.856 0.768) 3.072 7.497 ( -1.240 -1.109 -1.057) 1.971 7.645 ( 1.337 1.023 -4.278) 4.598 7.881 ( 2.293 1.275 -2.162) 3.400 7.908 ( -1.494 1.293 -3.577) 4.086 8.202 ( -0.002 1.385 0.778) 1.588 8.308 ( -1.330 -1.387 4.009) 4.446 8.369 ( -0.751 -1.099 2.859) 3.153 8.455 ( -0.114 0.291 4.171) 4.182 8.540 ( -0.907 -3.265 0.744) 3.470 8.628 ( 1.123 0.681 1.481) 1.980 8.666 ( 1.071 3.626 -0.034) 3.781 8.757 ( -0.764 0.988 -1.716) 2.122 11.807 ( 0.184 -1.348 0.810) 1.583 11.857 ( -0.466 1.370 1.131) 1.837 11.920 ( -0.409 0.165 -1.545) 1.607 11.952 ( 0.712 0.030 -0.533) 0.890 15.285 ( 0.621 -3.149 2.319) 3.959 15.378 ( -1.211 2.630 1.205) 3.136 15.532 ( 0.180 -3.572 -0.993) 3.712 15.587 ( 0.784 1.287 -0.432) 1.568 15.679 ( -0.898 0.877 2.815) 3.082 15.750 ( -0.462 1.796 1.211) 2.215 15.940 ( 0.382 0.429 -3.027) 3.081 15.995 ( 0.538 -0.077 -3.620) 3.661 16.183 ( -0.669 0.264 1.302) 1.488 16.301 ( 1.126 1.399 -1.297) 2.215 16.383 ( -0.391 0.012 2.011) 2.049 16.430 ( -0.358 -5.077 0.492) 5.114 ======================= Grid point 71 (34/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.046 -0.102 0.072) 0.133 1.080 ( 1.060 2.525 -0.457) 2.776 1.403 ( -4.630 12.111 3.583) 13.452 1.431 ( 2.380 12.544 6.209) 14.197 1.634 ( -3.102 -1.874 -2.681) 4.508 1.821 ( 0.239 3.226 -2.690) 4.207 1.923 ( 7.645 2.665 -4.472) 9.249 2.074 ( 2.386 1.917 -7.593) 8.186 2.123 ( -6.414 -3.791 -2.055) 7.729 2.186 ( 0.222 3.622 -1.657) 3.990 2.274 ( 7.614 -2.324 -0.098) 7.961 2.352 ( -4.424 -7.268 2.259) 8.803 2.411 ( -5.299 2.100 0.846) 5.762 2.492 ( 3.025 -2.716 3.175) 5.158 2.538 ( -0.431 -3.049 0.690) 3.155 2.591 ( -1.678 0.135 4.791) 5.078 2.650 ( 1.287 2.062 -0.336) 2.453 2.818 ( 5.693 1.504 2.789) 6.515 2.859 ( 0.371 0.755 -3.106) 3.218 3.187 ( 0.420 5.445 3.092) 6.276 3.248 ( 1.129 -0.440 0.924) 1.524 3.322 ( -4.999 4.293 7.115) 9.698 3.439 ( -0.888 -2.137 2.641) 3.511 3.563 ( -1.634 -3.922 0.776) 4.319 3.805 ( -1.028 -0.351 3.186) 3.367 3.846 ( -1.064 -4.424 3.474) 5.725 3.999 ( 1.582 -2.127 -0.327) 2.670 4.013 ( 4.099 1.952 2.187) 5.040 4.115 ( -0.418 1.236 -2.651) 2.954 4.209 ( -1.411 -1.794 -1.851) 2.939 4.226 ( -1.583 -1.467 -1.222) 2.480 4.320 ( -0.398 0.038 -0.764) 0.862 4.373 ( 1.240 3.802 -2.918) 4.950 4.420 ( -1.755 -0.916 3.074) 3.656 4.539 ( 0.114 2.828 -3.253) 4.311 4.656 ( -0.930 1.478 -0.079) 1.748 4.769 ( 2.147 0.500 -2.041) 3.004 4.800 ( 0.883 -4.056 -4.747) 6.306 5.043 ( -0.123 0.912 -4.136) 4.237 5.126 ( 1.098 0.765 -2.374) 2.726 5.286 ( -0.275 3.624 0.271) 3.644 5.382 ( -0.307 1.962 -2.278) 3.022 5.592 ( 0.555 -0.748 3.168) 3.302 5.744 ( 1.784 -2.212 1.970) 3.458 5.880 ( -4.548 -2.069 -0.829) 5.065 5.957 ( -1.272 0.086 -1.088) 1.676 6.023 ( 3.435 -4.131 1.227) 5.511 6.095 ( -2.754 0.578 6.436) 7.024 6.184 ( 1.675 -1.415 0.225) 2.204 6.312 ( -1.167 -3.354 -3.248) 4.813 6.396 ( 1.656 4.543 -1.371) 5.026 6.530 ( 0.268 -2.044 -2.959) 3.606 6.900 ( -0.862 -4.219 2.884) 5.182 7.078 ( -1.064 0.397 1.534) 1.909 7.141 ( 0.163 -2.278 -2.325) 3.259 7.218 ( 1.726 1.033 0.384) 2.048 7.530 ( 0.330 -2.863 -3.354) 4.423 7.645 ( 1.018 0.287 -4.598) 4.718 7.804 ( -3.753 2.468 -0.890) 4.579 7.928 ( 4.405 0.373 -1.862) 4.797 8.177 ( 1.309 2.034 2.019) 3.151 8.298 ( -2.705 0.514 -0.040) 2.754 8.390 ( -1.325 -1.285 4.814) 5.156 8.433 ( -1.272 1.186 3.372) 3.794 8.555 ( 1.103 1.098 2.570) 3.004 8.600 ( -1.208 3.104 2.414) 4.114 8.677 ( 2.397 -2.350 -1.354) 3.620 8.744 ( -0.643 -0.806 -1.116) 1.519 11.814 ( -0.891 0.746 0.400) 1.229 11.852 ( 0.648 -0.941 1.597) 1.964 11.902 ( 0.731 1.424 -0.611) 1.714 11.966 ( -0.440 -1.312 -1.560) 2.085 15.310 ( -0.715 2.713 1.176) 3.042 15.371 ( 0.724 -3.921 2.456) 4.683 15.533 ( 0.558 3.287 -1.133) 3.521 15.598 ( -0.052 -1.699 -1.282) 2.129 15.659 ( -1.425 0.394 2.623) 3.011 15.731 ( -0.211 0.123 2.386) 2.398 15.936 ( 0.407 -0.024 -3.040) 3.067 16.000 ( 0.044 -0.419 -4.109) 4.131 16.182 ( 1.502 0.401 0.691) 1.701 16.266 ( 0.902 3.187 -2.441) 4.114 16.374 ( -2.226 -1.084 5.211) 5.770 16.545 ( -0.737 -6.556 -0.237) 6.602 ======================= Grid point 75 (35/72) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.615 0.000 -0.619) 0.872 1.044 ( 4.817 -0.000 1.581) 5.070 1.318 ( 11.582 -0.000 5.721) 12.918 1.328 ( 1.318 -0.000 22.435) 22.474 1.545 ( -6.532 0.000 3.093) 7.227 1.787 ( -7.419 0.000 -0.428) 7.432 1.931 ( 2.350 -0.000 -1.221) 2.648 1.989 ( -2.484 0.000 -7.875) 8.258 2.060 ( 6.717 -0.000 -3.819) 7.727 2.199 ( 11.501 -0.000 -0.348) 11.506 2.210 ( 7.788 -0.000 2.432) 8.159 2.410 ( 1.964 -0.000 -3.749) 4.233 2.435 ( -4.108 0.000 -2.395) 4.756 2.543 ( -5.798 0.000 3.949) 7.015 2.651 ( -7.436 0.000 -0.153) 7.438 2.735 ( 0.377 -0.000 10.519) 10.526 2.922 ( -0.861 0.000 -1.044) 1.353 3.033 ( -0.980 0.000 2.601) 2.779 3.056 ( 0.607 -0.000 -0.227) 0.648 3.129 ( -0.959 0.000 -4.958) 5.049 3.160 ( -1.957 0.000 -5.761) 6.084 3.205 ( 2.591 -0.000 -0.574) 2.654 3.330 ( 0.887 -0.000 0.338) 0.949 3.555 ( 1.393 -0.000 -9.650) 9.750 3.601 ( -3.009 0.000 7.933) 8.484 3.907 ( -0.923 0.000 3.060) 3.196 3.988 ( -6.002 0.000 -3.216) 6.810 4.028 ( 2.881 -0.000 7.008) 7.578 4.060 ( 0.405 -0.000 1.704) 1.751 4.131 ( -0.848 0.000 5.918) 5.979 4.242 ( 3.123 -0.000 -2.768) 4.173 4.291 ( 1.741 -0.000 -4.890) 5.191 4.404 ( 3.080 -0.000 2.126) 3.742 4.453 ( -1.445 0.000 -1.152) 1.848 4.469 ( -0.943 0.000 -6.912) 6.976 4.646 ( -1.472 0.000 4.637) 4.865 4.677 ( 0.357 -0.000 -3.525) 3.543 4.864 ( 0.428 -0.000 1.478) 1.539 4.980 ( 3.572 -0.000 -7.224) 8.059 5.305 ( 2.147 -0.000 -4.323) 4.826 5.377 ( 3.444 -0.000 1.681) 3.832 5.457 ( 6.422 -0.000 -0.100) 6.423 5.579 ( -5.899 0.000 0.078) 5.899 5.607 ( 2.418 -0.000 0.460) 2.462 5.715 ( -8.258 0.000 0.628) 8.282 5.888 ( -2.633 0.000 0.817) 2.756 5.919 ( -0.770 0.000 -2.656) 2.766 6.075 ( -0.647 0.000 8.185) 8.211 6.141 ( 0.157 -0.000 -3.232) 3.236 6.207 ( -0.812 0.000 1.178) 1.431 6.411 ( -2.375 0.000 1.898) 3.040 6.669 ( 0.838 -0.000 -5.445) 5.510 6.854 ( -1.500 0.000 0.386) 1.549 6.875 ( -1.947 0.000 -1.779) 2.637 7.296 ( -1.391 0.000 -0.125) 1.396 7.450 ( 0.072 -0.000 -5.101) 5.102 7.688 ( 2.250 -0.000 3.796) 4.412 7.719 ( 6.983 -0.000 -2.179) 7.315 7.797 ( -4.075 0.000 0.897) 4.173 7.961 ( -6.618 0.000 1.320) 6.748 8.196 ( 0.713 -0.000 -3.969) 4.033 8.256 ( 4.196 -0.000 -4.730) 6.323 8.270 ( 1.672 -0.000 4.735) 5.022 8.421 ( -1.181 0.000 3.820) 3.998 8.494 ( -0.605 0.000 8.075) 8.098 8.563 ( 0.554 -0.000 1.528) 1.625 8.824 ( 0.062 -0.000 -3.195) 3.196 8.860 ( 1.366 -0.000 -2.384) 2.747 11.760 ( 0.422 -0.000 0.258) 0.495 11.877 ( -0.182 0.000 -1.892) 1.901 11.929 ( -0.583 0.000 2.061) 2.142 11.978 ( 0.354 -0.000 0.179) 0.397 15.222 ( 0.326 -0.000 0.579) 0.664 15.244 ( -0.332 0.000 1.320) 1.361 15.508 ( -2.047 0.000 2.874) 3.528 15.615 ( 0.070 -0.000 -0.444) 0.449 15.709 ( 0.271 -0.000 1.937) 1.956 15.920 ( 0.918 -0.000 -2.059) 2.255 15.973 ( 0.778 -0.000 -2.987) 3.087 16.009 ( 2.393 -0.000 -3.129) 3.939 16.121 ( 1.930 -0.000 1.106) 2.225 16.238 ( 1.283 -0.000 1.271) 1.806 16.294 ( -5.161 0.000 5.947) 7.874 16.498 ( -3.868 0.000 -1.329) 4.090 ======================= Grid point 76 (36/72) ======================= q-point: (-0.43 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.306 -0.115 0.262) 0.419 1.072 ( 0.205 -0.008 -1.191) 1.209 1.336 ( 1.008 -3.343 12.122) 12.615 1.472 ( 0.794 2.054 -1.852) 2.877 1.555 ( -10.455 -10.071 14.431) 20.469 1.716 ( 2.121 -0.179 7.066) 7.379 1.899 ( -1.284 2.333 -6.206) 6.753 1.992 ( 1.939 -0.385 -0.790) 2.129 2.067 ( -0.143 0.112 -4.985) 4.988 2.284 ( 3.936 1.445 -1.551) 4.471 2.346 ( 6.248 -3.313 -2.287) 7.433 2.376 ( 0.681 0.927 -1.267) 1.711 2.433 ( 0.769 -1.543 -2.263) 2.845 2.479 ( -4.746 1.374 2.806) 5.682 2.579 ( -3.297 1.681 -0.070) 3.701 2.736 ( -0.808 2.815 5.754) 6.456 2.905 ( -1.316 0.595 -3.983) 4.237 3.002 ( -0.786 4.357 4.511) 6.321 3.037 ( -0.056 2.300 -3.320) 4.039 3.115 ( 1.496 -2.614 0.185) 3.017 3.180 ( -3.100 -3.475 -3.082) 5.584 3.211 ( 1.597 -1.056 -0.272) 1.934 3.401 ( 3.304 -3.445 -0.828) 4.845 3.522 ( -1.249 2.173 -4.019) 4.736 3.611 ( -1.467 -2.011 7.036) 7.463 3.873 ( -2.133 1.503 0.639) 2.687 3.958 ( -2.678 -0.904 2.412) 3.715 4.000 ( 0.568 6.187 1.073) 6.305 4.082 ( 1.750 -1.805 3.083) 3.979 4.147 ( 0.021 -1.853 2.622) 3.211 4.254 ( -1.257 0.986 -2.430) 2.908 4.313 ( 1.569 -2.555 -0.941) 3.143 4.369 ( -0.618 3.015 -3.448) 4.622 4.467 ( 2.048 -1.725 1.338) 2.993 4.503 ( 2.948 -1.504 -3.257) 4.643 4.610 ( -0.128 1.501 3.302) 3.629 4.738 ( -1.935 -3.950 -4.956) 6.626 4.866 ( 0.722 0.405 1.330) 1.566 5.005 ( 3.309 -0.264 -5.265) 6.224 5.287 ( -0.173 2.249 -5.012) 5.496 5.434 ( 3.505 -1.641 3.919) 5.508 5.463 ( -2.998 0.826 -0.549) 3.158 5.542 ( 1.820 0.985 -0.083) 2.071 5.613 ( -7.674 -0.198 -3.990) 8.652 5.695 ( 4.788 -2.487 2.102) 5.790 5.890 ( 1.357 -1.490 0.850) 2.188 5.947 ( 0.365 -1.841 -2.100) 2.817 6.039 ( -0.597 2.286 4.169) 4.792 6.186 ( 0.055 -2.929 1.483) 3.284 6.218 ( -1.081 -1.650 1.036) 2.228 6.379 ( -2.336 0.602 0.228) 2.423 6.614 ( 1.384 4.789 -3.827) 6.285 6.842 ( -0.372 1.819 -0.710) 1.988 6.903 ( -0.267 -4.500 -1.342) 4.704 7.296 ( 0.669 -0.556 -0.179) 0.888 7.403 ( -0.414 4.344 -3.017) 5.305 7.613 ( -1.435 6.491 2.081) 6.966 7.716 ( -0.674 2.490 -1.352) 2.912 7.835 ( 4.018 -2.861 -1.452) 5.142 7.937 ( -5.149 -1.927 -0.144) 5.500 8.201 ( -0.564 -0.308 -3.316) 3.377 8.288 ( 2.752 -0.059 -1.477) 3.124 8.298 ( 1.907 -1.217 4.540) 5.072 8.417 ( -1.077 -0.364 4.067) 4.223 8.501 ( -0.694 -0.176 6.471) 6.511 8.585 ( 0.185 -1.675 1.875) 2.521 8.810 ( 0.001 1.120 -3.236) 3.425 8.832 ( 0.353 3.382 -2.095) 3.994 11.770 ( 0.623 -0.523 0.561) 0.988 11.877 ( -0.760 -0.590 -2.166) 2.371 11.916 ( -0.718 0.844 1.764) 2.083 11.981 ( 0.859 0.399 0.287) 0.990 15.211 ( 0.371 -0.210 1.859) 1.908 15.314 ( -0.243 -5.384 -0.492) 5.412 15.482 ( -1.133 1.390 2.793) 3.319 15.616 ( 0.395 0.055 -0.409) 0.571 15.708 ( -0.086 0.480 2.250) 2.302 15.872 ( 0.041 4.317 -0.618) 4.361 15.966 ( 0.229 0.763 -2.862) 2.971 16.018 ( 0.804 0.512 -4.448) 4.548 16.163 ( 1.684 -1.258 2.471) 3.244 16.254 ( -1.406 -1.938 3.855) 4.538 16.283 ( -1.843 -2.060 0.761) 2.866 16.463 ( 0.188 1.697 -1.128) 2.046 ======================= Grid point 77 (37/72) ======================= q-point: (-0.29 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.757 -0.274 1.340) 1.564 1.071 ( -1.458 -1.247 -0.645) 2.024 1.367 ( -13.564 -3.257 -0.844) 13.975 1.452 ( -3.231 -6.914 3.244) 8.293 1.651 ( 2.433 -4.790 8.514) 10.067 1.811 ( -3.353 3.263 -2.581) 5.343 1.893 ( 1.857 -7.845 5.287) 9.641 2.038 ( 1.513 -3.075 4.473) 5.635 2.045 ( 4.014 3.097 -2.704) 5.746 2.237 ( 1.504 2.995 -4.710) 5.781 2.333 ( -6.553 1.579 -2.191) 7.088 2.403 ( 1.750 0.243 0.204) 1.778 2.451 ( 1.302 0.444 -3.178) 3.463 2.511 ( 2.696 -2.829 2.464) 4.619 2.530 ( 1.794 2.945 -0.497) 3.484 2.610 ( -1.127 8.375 -1.191) 8.534 2.837 ( -0.140 8.892 -1.452) 9.011 2.862 ( -1.975 2.024 -4.689) 5.476 3.082 ( 1.129 -2.576 3.359) 4.381 3.156 ( -1.271 -1.414 1.052) 2.172 3.212 ( -8.038 -4.647 0.413) 9.293 3.297 ( 2.094 -5.088 2.251) 5.945 3.444 ( 2.226 2.111 -0.206) 3.074 3.475 ( -1.171 1.302 1.471) 2.287 3.668 ( 0.949 -3.553 6.218) 7.224 3.826 ( -0.652 2.522 0.594) 2.671 3.933 ( 3.152 0.261 -1.292) 3.416 3.969 ( -1.162 -2.007 4.345) 4.925 4.140 ( 1.006 -1.906 0.995) 2.374 4.165 ( -0.947 -0.239 -0.049) 0.978 4.217 ( -1.368 1.705 -0.387) 2.220 4.320 ( 0.236 -0.232 -2.826) 2.846 4.379 ( 2.100 -1.419 -1.136) 2.778 4.504 ( -0.000 0.832 0.569) 1.008 4.530 ( 1.025 -0.172 -4.296) 4.420 4.610 ( 1.814 -1.037 6.258) 6.598 4.744 ( -3.006 -0.258 -3.820) 4.867 4.867 ( 1.347 0.930 -3.672) 4.021 5.041 ( 2.920 -1.104 -3.037) 4.355 5.213 ( -2.040 3.616 -5.261) 6.702 5.384 ( -6.410 1.171 0.249) 6.521 5.477 ( -0.336 1.746 2.316) 2.919 5.570 ( 4.334 -0.052 0.536) 4.368 5.592 ( -0.183 -3.991 -1.454) 4.252 5.787 ( 2.414 -2.214 0.243) 3.285 5.930 ( 0.128 -1.648 1.394) 2.163 5.983 ( 4.248 -0.138 -3.514) 5.514 6.028 ( -0.881 -1.558 3.288) 3.743 6.203 ( -2.156 0.860 2.380) 3.324 6.244 ( 0.859 -1.401 0.818) 1.835 6.389 ( -0.843 -3.811 -1.157) 4.071 6.540 ( 1.640 4.140 -3.196) 5.481 6.816 ( 0.696 0.665 1.181) 1.524 6.985 ( 0.877 -4.362 -2.616) 5.161 7.280 ( -1.872 6.463 0.605) 6.756 7.319 ( 2.807 1.744 0.626) 3.363 7.500 ( -1.532 2.972 0.089) 3.344 7.670 ( -0.238 1.529 -3.035) 3.407 7.897 ( -4.520 1.306 -2.086) 5.146 7.913 ( 4.089 -1.536 -3.224) 5.429 8.195 ( -1.788 -0.708 -0.738) 2.060 8.300 ( 1.026 0.574 1.912) 2.245 8.341 ( -0.349 -1.339 3.771) 4.017 8.442 ( 0.255 -2.211 4.375) 4.909 8.499 ( -1.372 -0.244 3.256) 3.542 8.623 ( 0.124 -1.670 1.858) 2.501 8.756 ( 0.625 4.387 -0.834) 4.509 8.776 ( -0.569 1.916 -2.914) 3.533 11.791 ( 0.608 -0.921 0.873) 1.407 11.872 ( -0.862 0.439 -0.441) 1.063 11.901 ( -0.776 -0.278 -0.337) 0.891 11.977 ( 1.028 1.055 0.000) 1.473 15.244 ( 0.790 -2.313 2.496) 3.493 15.393 ( -0.688 -1.605 -1.808) 2.513 15.467 ( 0.073 -1.731 2.401) 2.961 15.616 ( 0.883 0.666 -0.386) 1.171 15.694 ( -0.764 1.057 2.577) 2.888 15.789 ( -1.445 3.456 0.626) 3.798 15.949 ( 0.058 0.697 -2.843) 2.928 16.004 ( 0.608 0.855 -4.036) 4.171 16.177 ( -0.612 -0.280 1.772) 1.895 16.284 ( -2.377 -1.689 1.084) 3.111 16.341 ( 1.005 -4.377 1.067) 4.616 16.437 ( 3.398 2.824 -0.093) 4.419 ======================= Grid point 78 (38/72) ======================= q-point: (-0.14 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.385 -0.195 1.086) 1.168 1.093 ( 0.189 -1.446 -1.061) 1.804 1.401 ( -7.908 -9.440 1.405) 12.394 1.511 ( -3.477 -2.181 3.623) 5.475 1.664 ( -1.448 8.341 -0.699) 8.495 1.795 ( 2.870 -5.254 0.336) 5.996 1.968 ( -2.869 -1.427 -1.083) 3.382 2.058 ( 6.131 0.197 -1.898) 6.421 2.135 ( -1.342 -1.511 3.302) 3.871 2.188 ( -0.683 -0.213 -3.647) 3.716 2.266 ( -0.810 0.029 -6.587) 6.636 2.339 ( 0.261 4.819 -4.367) 6.509 2.416 ( 0.121 5.965 0.417) 5.981 2.483 ( 1.498 -0.553 3.649) 3.984 2.526 ( 2.851 1.582 0.224) 3.268 2.606 ( 1.384 -2.704 5.277) 6.088 2.695 ( -0.777 5.113 -0.802) 5.233 2.828 ( -1.285 -0.264 -5.593) 5.745 3.043 ( 3.859 8.686 0.013) 9.505 3.203 ( -8.829 -4.780 1.064) 10.096 3.209 ( -2.635 -4.241 3.681) 6.203 3.370 ( 0.409 3.529 6.338) 7.266 3.389 ( -0.771 0.810 4.053) 4.205 3.474 ( 0.063 -2.635 3.767) 4.597 3.746 ( 1.238 -2.579 4.306) 5.169 3.823 ( 0.087 -1.368 1.696) 2.180 3.983 ( 2.809 -1.807 1.063) 3.505 4.026 ( 0.892 -2.650 -1.313) 3.089 4.144 ( -3.452 0.143 -0.939) 3.580 4.154 ( 0.793 0.223 -0.801) 1.149 4.210 ( 3.092 -0.230 -0.034) 3.100 4.320 ( -0.491 0.737 -0.393) 0.969 4.411 ( 0.943 -0.553 -1.378) 1.759 4.448 ( -1.393 3.658 -0.691) 3.974 4.539 ( -0.987 -1.562 -3.667) 4.106 4.662 ( 2.201 -0.383 6.177) 6.568 4.734 ( -0.687 -2.503 -4.465) 5.164 4.831 ( 1.166 3.436 -5.593) 6.667 5.066 ( 1.090 1.441 -3.290) 3.753 5.135 ( -1.270 0.790 -3.894) 4.172 5.316 ( -3.388 1.272 1.059) 3.771 5.426 ( -0.533 2.451 -1.058) 2.722 5.608 ( 2.897 -0.138 2.159) 3.616 5.689 ( 2.105 -4.351 0.657) 4.878 5.801 ( -3.864 -0.848 -1.120) 4.111 5.960 ( 0.069 0.297 2.147) 2.168 6.020 ( 4.458 -1.167 -1.819) 4.954 6.062 ( -1.277 -1.342 4.246) 4.632 6.175 ( -1.192 -0.971 0.412) 1.592 6.272 ( 1.547 -0.066 -1.624) 2.244 6.465 ( -1.128 -4.433 -1.510) 4.817 6.482 ( 1.883 3.438 -2.939) 4.900 6.844 ( 1.418 -2.290 2.782) 3.873 7.058 ( -0.029 -2.301 -2.997) 3.779 7.147 ( -1.684 4.544 1.212) 4.995 7.284 ( 1.504 3.425 2.193) 4.336 7.496 ( 1.948 -1.315 -3.546) 4.255 7.652 ( 0.171 0.265 -2.922) 2.939 7.812 ( -3.858 2.580 -1.907) 5.018 7.962 ( 2.961 -0.538 -2.879) 4.164 8.194 ( -1.642 -0.864 0.677) 1.975 8.291 ( -0.025 1.120 2.294) 2.552 8.357 ( -1.729 -1.201 4.668) 5.121 8.450 ( -1.161 1.300 3.211) 3.654 8.535 ( 0.326 -3.271 0.903) 3.409 8.639 ( -0.305 0.598 2.074) 2.180 8.706 ( 2.073 2.283 -0.090) 3.086 8.731 ( -1.117 1.008 -1.770) 2.323 11.812 ( 0.159 -0.553 1.044) 1.192 11.853 ( -0.340 0.546 0.883) 1.093 11.908 ( -0.449 -0.991 -1.466) 1.825 11.963 ( 0.652 1.202 -0.605) 1.495 15.309 ( 1.002 -3.436 2.755) 4.516 15.359 ( -0.986 2.736 0.559) 2.961 15.535 ( 0.304 -3.501 -0.982) 3.649 15.601 ( 0.803 1.968 -0.886) 2.303 15.665 ( -1.180 1.053 2.889) 3.294 15.737 ( -1.064 0.997 1.842) 2.349 15.938 ( 0.266 0.289 -3.076) 3.101 15.994 ( 0.341 0.243 -3.347) 3.373 16.188 ( 0.720 -0.851 0.870) 1.414 16.280 ( -2.490 -0.398 -0.788) 2.642 16.399 ( 1.038 1.757 2.093) 2.923 16.445 ( 1.886 -2.958 0.155) 3.511 ======================= Grid point 83 (39/72) ======================= q-point: (-0.43 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 1.413 -0.000 -0.142) 1.420 1.069 ( -2.445 0.000 -0.722) 2.549 1.329 ( -12.595 0.000 6.065) 13.979 1.337 ( -8.157 0.000 24.167) 25.506 1.501 ( 2.965 -0.000 -0.263) 2.976 1.778 ( 6.736 -0.000 0.506) 6.755 1.938 ( -0.441 0.000 -7.620) 7.633 1.942 ( -0.250 0.000 -0.358) 0.436 2.053 ( -9.217 0.000 0.587) 9.235 2.220 ( -9.892 0.000 1.564) 10.015 2.330 ( 2.536 -0.000 -3.402) 4.243 2.394 ( -7.850 0.000 3.230) 8.489 2.427 ( 8.344 -0.000 -3.161) 8.923 2.513 ( 6.049 -0.000 -0.402) 6.062 2.595 ( 2.670 -0.000 -0.349) 2.693 2.765 ( -0.416 0.000 8.362) 8.372 2.877 ( -2.123 0.000 -3.269) 3.898 3.011 ( -1.814 0.000 1.325) 2.246 3.065 ( 0.064 -0.000 -0.234) 0.242 3.120 ( 0.722 -0.000 -1.687) 1.835 3.133 ( 0.592 -0.000 -3.551) 3.600 3.235 ( 1.028 -0.000 -2.040) 2.285 3.391 ( 4.965 -0.000 -0.392) 4.980 3.541 ( -0.316 0.000 -8.806) 8.812 3.585 ( -0.766 0.000 8.260) 8.296 3.889 ( -1.997 0.000 2.888) 3.511 3.900 ( -2.672 0.000 -1.056) 2.874 4.054 ( -1.346 0.000 -0.541) 1.450 4.101 ( 2.648 -0.000 2.760) 3.825 4.143 ( 0.106 -0.000 8.281) 8.281 4.221 ( -3.575 0.000 -4.701) 5.906 4.309 ( 1.426 -0.000 -2.864) 3.199 4.427 ( -0.493 0.000 0.359) 0.610 4.459 ( 2.327 -0.000 2.352) 3.309 4.472 ( 2.825 -0.000 -6.225) 6.836 4.609 ( -3.692 0.000 2.978) 4.743 4.707 ( 3.440 -0.000 -3.013) 4.573 4.878 ( 0.072 -0.000 0.551) 0.556 5.025 ( 2.805 -0.000 -5.194) 5.903 5.299 ( -1.046 0.000 -4.361) 4.485 5.408 ( -6.982 0.000 -2.097) 7.290 5.458 ( 4.273 -0.000 5.175) 6.711 5.541 ( -7.917 0.000 -2.146) 8.203 5.594 ( 4.009 -0.000 0.666) 4.064 5.704 ( 4.774 -0.000 -0.396) 4.790 5.892 ( 3.171 -0.000 1.850) 3.672 5.965 ( 5.330 -0.000 -1.740) 5.607 6.080 ( -0.826 0.000 7.548) 7.593 6.134 ( 0.096 -0.000 -2.979) 2.980 6.203 ( 0.257 -0.000 1.230) 1.257 6.359 ( -3.383 0.000 0.295) 3.396 6.679 ( 1.604 -0.000 -4.923) 5.177 6.851 ( 1.067 -0.000 0.044) 1.068 6.865 ( 1.306 -0.000 -1.369) 1.892 7.293 ( 1.037 -0.000 -0.243) 1.065 7.437 ( -0.242 0.000 -5.458) 5.463 7.657 ( -5.117 0.000 1.589) 5.358 7.754 ( -5.404 0.000 -1.877) 5.720 7.794 ( 2.493 -0.000 2.042) 3.222 7.880 ( 0.454 -0.000 0.807) 0.926 8.196 ( 0.458 -0.000 -5.476) 5.495 8.311 ( 1.288 -0.000 6.167) 6.300 8.325 ( 4.329 -0.000 -2.851) 5.183 8.411 ( -0.973 0.000 3.771) 3.894 8.493 ( -1.722 0.000 7.924) 8.109 8.569 ( -0.353 0.000 2.036) 2.067 8.817 ( 0.021 -0.000 -3.484) 3.484 8.860 ( -0.695 0.000 -2.536) 2.630 11.773 ( 0.851 -0.000 0.803) 1.171 11.861 ( -0.828 0.000 -2.362) 2.503 11.918 ( -1.074 0.000 1.598) 1.925 11.994 ( 1.028 -0.000 0.591) 1.186 15.236 ( 0.834 -0.000 1.183) 1.447 15.238 ( -0.649 0.000 0.887) 1.099 15.490 ( -0.725 0.000 2.686) 2.782 15.618 ( 0.369 -0.000 -0.428) 0.565 15.715 ( -0.204 0.000 2.112) 2.122 15.922 ( -0.096 0.000 -1.957) 1.959 15.971 ( -0.272 0.000 -2.843) 2.856 16.016 ( -0.274 0.000 -5.322) 5.329 16.191 ( 4.718 -0.000 6.042) 7.666 16.217 ( -3.387 0.000 0.018) 3.387 16.230 ( -3.280 0.000 3.853) 5.060 16.498 ( 4.001 -0.000 -1.150) 4.163 ======================= Grid point 84 (40/72) ======================= q-point: (-0.29 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -5.209 0.093 2.931) 5.978 1.042 ( -0.220 -0.075 0.475) 0.529 1.171 ( -19.948 0.442 3.355) 20.233 1.333 ( -5.399 -3.930 12.883) 14.511 1.571 ( 1.407 -4.403 1.239) 4.786 1.822 ( 1.824 -1.849 -1.342) 2.923 1.879 ( 0.142 2.673 2.197) 3.463 1.985 ( -0.483 -2.175 -2.037) 3.019 2.039 ( -9.285 -9.259 5.098) 14.069 2.230 ( -1.822 -2.689 -1.359) 3.520 2.289 ( -2.854 1.775 -3.197) 4.639 2.342 ( -1.298 0.975 2.194) 2.729 2.482 ( 4.398 0.590 -3.364) 5.568 2.550 ( 4.395 1.290 1.744) 4.901 2.609 ( 3.739 1.953 -0.896) 4.312 2.724 ( -1.735 4.691 3.398) 6.047 2.850 ( -2.272 1.258 -3.387) 4.268 2.982 ( -1.752 5.310 0.803) 5.649 3.045 ( 1.235 0.009 -2.668) 2.941 3.128 ( -0.569 -0.296 1.090) 1.265 3.139 ( -0.900 -1.708 1.875) 2.691 3.249 ( 1.821 -2.001 -0.779) 2.815 3.449 ( 1.131 -0.728 -4.945) 5.125 3.494 ( 0.077 1.271 -3.212) 3.455 3.629 ( 1.448 -3.012 6.951) 7.713 3.855 ( 0.638 0.289 0.827) 1.084 3.928 ( -1.327 -1.482 2.309) 3.048 4.001 ( -0.014 3.181 -1.719) 3.616 4.118 ( 0.228 -1.118 1.804) 2.134 4.156 ( -0.901 -0.018 1.183) 1.487 4.206 ( -1.027 -1.373 -0.434) 1.768 4.319 ( 0.472 0.396 -1.421) 1.549 4.376 ( 0.311 0.764 -1.388) 1.615 4.514 ( 1.195 -1.858 2.251) 3.154 4.522 ( 0.956 0.422 -1.042) 1.476 4.608 ( -0.556 -2.956 -0.882) 3.135 4.720 ( 1.214 1.115 -1.834) 2.466 4.874 ( 0.054 -0.255 -1.567) 1.588 5.045 ( 1.968 -0.554 -3.980) 4.474 5.250 ( -2.310 2.915 -4.205) 5.614 5.339 ( -5.619 0.680 -1.223) 5.790 5.468 ( -5.772 0.249 -2.322) 6.226 5.531 ( 4.453 -2.324 5.416) 7.387 5.634 ( 4.007 -0.437 0.985) 4.150 5.761 ( 1.626 -1.883 -0.887) 2.641 5.941 ( 5.413 -0.238 1.852) 5.726 6.007 ( 3.308 0.531 -0.327) 3.367 6.050 ( 2.062 1.332 0.789) 2.578 6.191 ( -0.727 -3.373 0.474) 3.483 6.207 ( 0.604 -0.082 1.954) 2.046 6.335 ( -2.166 -0.925 0.175) 2.362 6.636 ( 1.974 4.515 -3.433) 6.006 6.858 ( 2.181 1.963 -0.574) 2.990 6.917 ( 2.361 -4.108 -1.363) 4.931 7.328 ( 2.527 -1.408 0.501) 2.936 7.381 ( -1.246 4.193 -3.524) 5.617 7.552 ( -4.920 4.739 1.577) 7.010 7.683 ( -2.992 0.843 -2.509) 3.994 7.849 ( -1.599 -1.943 0.555) 2.576 7.908 ( 1.769 -1.490 -1.668) 2.852 8.180 ( -0.721 0.970 -5.357) 5.491 8.332 ( 0.273 -0.102 5.400) 5.408 8.344 ( 3.319 1.282 0.923) 3.676 8.412 ( -0.432 -1.259 4.267) 4.469 8.488 ( -2.132 0.010 5.101) 5.529 8.589 ( -0.172 -1.824 2.896) 3.427 8.800 ( -0.178 1.320 -3.339) 3.595 8.819 ( -1.219 2.734 -1.951) 3.573 11.786 ( 0.865 -0.415 0.984) 1.374 11.856 ( -0.788 -0.541 -2.247) 2.442 11.902 ( -1.129 0.687 1.396) 1.922 12.000 ( 1.017 0.433 0.291) 1.143 15.224 ( 0.407 -0.674 1.936) 2.089 15.313 ( 0.425 -5.084 -0.767) 5.159 15.477 ( -0.371 1.166 2.739) 3.000 15.625 ( 0.683 -0.266 -0.374) 0.823 15.708 ( -0.549 0.718 2.218) 2.395 15.854 ( -1.851 5.002 -0.552) 5.362 15.957 ( -0.464 0.578 -2.608) 2.711 16.013 ( -0.032 -0.144 -5.561) 5.563 16.170 ( -1.813 0.364 1.544) 2.409 16.227 ( -2.872 -1.837 1.371) 3.675 16.290 ( 3.816 -3.169 5.798) 7.631 16.526 ( 5.878 1.848 -0.574) 6.188 ======================= Grid point 85 (41/72) ======================= q-point: (-0.14 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -7.459 -8.128 1.066) 11.083 1.046 ( 0.618 0.184 0.310) 0.716 1.104 ( -10.324 -7.769 1.894) 13.059 1.400 ( -3.995 -6.062 7.532) 10.461 1.670 ( -1.351 -5.048 -1.583) 5.460 1.810 ( 3.111 1.434 -0.224) 3.433 1.903 ( -2.893 -2.493 -0.922) 3.928 2.023 ( 0.937 -1.680 0.166) 1.931 2.146 ( 1.510 -1.599 2.734) 3.509 2.175 ( -8.470 -2.285 1.054) 8.836 2.264 ( 1.858 2.205 -7.484) 8.020 2.396 ( 0.165 -5.476 4.081) 6.831 2.481 ( 2.797 4.601 -1.621) 5.623 2.559 ( 1.170 -1.080 5.576) 5.799 2.567 ( 0.625 4.203 0.097) 4.251 2.609 ( 0.086 5.133 0.065) 5.134 2.782 ( -3.862 3.021 -3.156) 5.831 2.815 ( -2.680 7.064 -1.168) 7.645 3.039 ( -3.871 0.787 -3.136) 5.044 3.143 ( -0.950 -2.312 6.545) 7.006 3.153 ( 0.513 0.912 -1.435) 1.776 3.330 ( -0.125 -5.525 5.770) 7.990 3.453 ( 0.750 -0.082 -2.712) 2.815 3.481 ( 0.842 1.903 -1.111) 2.359 3.721 ( 2.115 -3.614 5.529) 6.936 3.847 ( 2.310 3.208 1.156) 4.119 3.970 ( 1.363 -3.960 0.848) 4.273 3.984 ( 1.559 -0.094 -0.402) 1.612 4.111 ( -2.499 -0.702 -0.232) 2.606 4.166 ( 1.475 0.211 0.101) 1.493 4.234 ( 1.871 -1.428 -1.044) 2.576 4.322 ( 0.099 -0.031 -1.837) 1.840 4.395 ( 0.045 -1.715 0.244) 1.732 4.464 ( -3.958 1.569 2.140) 4.765 4.528 ( 0.341 1.811 -4.211) 4.597 4.672 ( 0.541 -3.132 -3.997) 5.106 4.700 ( 1.298 1.147 5.572) 5.835 4.877 ( 0.886 1.111 -5.213) 5.404 5.076 ( 1.264 -1.677 -2.221) 3.057 5.151 ( -3.093 4.196 -4.731) 7.040 5.291 ( -3.538 -0.182 -0.092) 3.544 5.427 ( -2.714 -0.118 -2.140) 3.458 5.609 ( 2.466 -1.396 3.914) 4.833 5.680 ( 2.586 -1.279 1.126) 3.097 5.781 ( 0.655 0.272 -2.232) 2.342 5.981 ( 2.607 0.602 2.267) 3.507 6.016 ( 0.364 -0.591 3.737) 3.801 6.083 ( 5.884 0.308 -2.109) 6.258 6.160 ( -2.259 1.515 -0.640) 2.794 6.277 ( 1.720 -2.563 1.311) 3.353 6.364 ( -1.688 -3.796 -0.199) 4.159 6.566 ( 1.915 4.417 -3.301) 5.837 6.852 ( 2.946 0.593 1.563) 3.388 7.012 ( 2.523 -3.272 -2.478) 4.818 7.239 ( -2.656 6.605 0.448) 7.133 7.355 ( -0.678 3.262 2.116) 3.947 7.496 ( 2.793 -1.291 -3.173) 4.420 7.650 ( -1.195 0.429 -3.050) 3.303 7.821 ( -2.938 1.870 -0.949) 3.610 7.951 ( 0.613 -1.765 -2.464) 3.092 8.149 ( -2.618 -0.412 -2.394) 3.571 8.325 ( -0.547 0.420 4.741) 4.791 8.350 ( 1.624 1.300 3.295) 3.897 8.464 ( -1.401 0.895 3.241) 3.643 8.471 ( 0.269 -3.831 2.722) 4.707 8.620 ( -1.202 -1.507 2.975) 3.546 8.755 ( -0.801 2.644 -2.958) 4.047 8.762 ( 0.108 2.091 -0.570) 2.170 11.805 ( 0.665 -0.688 1.175) 1.516 11.856 ( -0.595 -0.055 -0.828) 1.021 11.885 ( -0.898 -0.157 0.001) 0.911 11.994 ( 0.786 1.215 -0.301) 1.478 15.263 ( 0.581 -2.587 2.140) 3.408 15.387 ( 0.432 -0.480 -1.258) 1.414 15.472 ( -0.031 -2.251 1.425) 2.664 15.632 ( 1.004 0.554 -0.527) 1.262 15.682 ( -1.114 1.491 2.678) 3.261 15.757 ( -2.052 2.637 1.529) 3.674 15.942 ( -0.020 0.352 -2.924) 2.945 16.003 ( 0.463 0.551 -4.340) 4.400 16.170 ( -0.636 -1.249 0.558) 1.509 16.236 ( -2.649 -1.563 -0.047) 3.076 16.373 ( 1.909 -2.088 4.794) 5.566 16.529 ( 5.894 3.802 -0.399) 7.025 ======================= Grid point 91 (42/72) ======================= q-point: (-0.29 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -13.200 0.000 9.574) 16.306 1.003 ( -15.495 0.000 7.532) 17.229 1.077 ( -2.819 0.000 2.186) 3.567 1.269 ( -3.916 0.000 7.522) 8.480 1.537 ( 0.677 -0.000 -3.826) 3.885 1.611 ( -31.185 0.000 16.718) 35.384 1.797 ( -5.261 0.000 -8.248) 9.783 1.976 ( 3.651 -0.000 4.131) 5.513 2.009 ( 7.515 -0.000 -1.110) 7.597 2.247 ( -3.970 0.000 -0.519) 4.004 2.269 ( 7.702 -0.000 -2.240) 8.021 2.360 ( -0.237 0.000 2.017) 2.031 2.544 ( 5.625 -0.000 -2.475) 6.145 2.586 ( 1.052 -0.000 -0.186) 1.068 2.664 ( 3.442 -0.000 1.387) 3.711 2.761 ( -1.123 0.000 2.308) 2.567 2.862 ( 0.862 -0.000 -0.508) 1.000 2.983 ( -1.512 0.000 1.047) 1.840 3.056 ( -0.702 0.000 -1.931) 2.055 3.132 ( -0.871 0.000 2.021) 2.200 3.132 ( 0.524 -0.000 -0.374) 0.644 3.238 ( 0.420 -0.000 -3.626) 3.651 3.453 ( 0.639 -0.000 -4.287) 4.334 3.508 ( -0.267 0.000 -11.317) 11.321 3.609 ( 0.495 -0.000 9.169) 9.183 3.871 ( 0.982 -0.000 1.798) 2.049 3.886 ( 0.771 -0.000 0.769) 1.088 4.026 ( -0.959 0.000 -0.890) 1.308 4.106 ( -2.244 0.000 -2.485) 3.348 4.143 ( -2.590 0.000 -3.786) 4.587 4.177 ( 1.190 -0.000 10.278) 10.347 4.335 ( 1.982 -0.000 -1.732) 2.632 4.390 ( -3.559 0.000 -0.802) 3.648 4.518 ( 3.649 -0.000 -7.510) 8.350 4.532 ( 0.482 -0.000 5.137) 5.159 4.542 ( -0.539 0.000 -0.094) 0.547 4.767 ( 3.404 -0.000 -2.263) 4.088 4.858 ( -1.829 0.000 -0.211) 1.841 5.044 ( 0.325 -0.000 -4.693) 4.704 5.252 ( -2.848 0.000 -2.413) 3.733 5.309 ( -3.046 0.000 -2.270) 3.798 5.416 ( -4.687 0.000 -3.114) 5.628 5.558 ( 4.472 -0.000 7.263) 8.529 5.650 ( 1.752 -0.000 3.776) 4.163 5.768 ( 3.023 -0.000 -0.029) 3.023 6.006 ( 7.298 -0.000 2.165) 7.613 6.044 ( 2.915 -0.000 -4.124) 5.050 6.083 ( -0.558 0.000 4.850) 4.882 6.138 ( 1.545 -0.000 -1.996) 2.524 6.237 ( 3.084 -0.000 2.253) 3.819 6.300 ( -3.015 0.000 1.021) 3.183 6.699 ( 1.761 -0.000 -4.442) 4.778 6.896 ( 4.015 -0.000 -0.309) 4.027 6.910 ( 3.722 -0.000 -1.600) 4.051 7.327 ( 2.536 -0.000 -0.587) 2.603 7.399 ( -3.294 0.000 -3.707) 4.959 7.575 ( -3.634 0.000 1.472) 3.921 7.606 ( -8.662 0.000 0.436) 8.673 7.850 ( 3.410 -0.000 -1.965) 3.935 7.900 ( 0.205 -0.000 -0.506) 0.546 8.184 ( -0.234 0.000 -5.423) 5.428 8.344 ( 0.395 -0.000 5.505) 5.519 8.369 ( -0.956 0.000 -0.365) 1.023 8.411 ( 0.973 -0.000 1.208) 1.551 8.480 ( -1.273 0.000 7.259) 7.370 8.583 ( 2.254 -0.000 5.125) 5.599 8.808 ( -0.050 0.000 -3.315) 3.315 8.826 ( -2.103 0.000 -2.478) 3.250 11.792 ( 0.821 -0.000 0.932) 1.242 11.842 ( -0.568 0.000 -2.239) 2.310 11.900 ( -1.182 0.000 1.464) 1.882 12.013 ( 0.844 -0.000 0.399) 0.934 15.228 ( -0.511 0.000 0.516) 0.726 15.254 ( 0.678 -0.000 1.229) 1.404 15.491 ( -0.045 0.000 2.944) 2.944 15.625 ( 0.589 -0.000 -0.568) 0.819 15.713 ( -0.544 0.000 2.045) 2.116 15.907 ( -1.024 0.000 -1.972) 2.222 15.953 ( -0.811 0.000 -2.192) 2.338 15.978 ( -2.266 0.000 -7.002) 7.359 16.151 ( -3.082 0.000 -0.938) 3.222 16.183 ( -2.356 0.000 1.808) 2.970 16.335 ( 8.796 -0.000 13.088) 15.769 16.599 ( 6.381 -0.000 -0.192) 6.383 ======================= Grid point 92 (43/72) ======================= q-point: (-0.14 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -21.441 0.127 10.199) 23.744 0.887 ( -12.492 -7.276 7.906) 16.477 1.079 ( 2.161 0.827 0.120) 2.317 1.291 ( -2.907 -3.694 5.649) 7.349 1.567 ( -1.606 -5.101 -2.949) 6.107 1.616 ( -21.106 -18.210 14.885) 31.601 1.753 ( -6.573 -3.308 -8.625) 11.338 2.026 ( 2.944 -1.614 6.695) 7.490 2.064 ( 4.695 -0.171 -0.729) 4.754 2.181 ( 1.558 4.513 -0.029) 4.775 2.321 ( -0.454 2.809 0.133) 2.849 2.389 ( 7.273 -1.885 -0.593) 7.537 2.539 ( 2.408 2.435 -1.826) 3.881 2.580 ( -0.624 1.231 2.160) 2.563 2.662 ( 1.970 3.024 1.233) 3.814 2.688 ( -2.871 5.409 1.169) 6.234 2.827 ( -0.755 4.152 -0.757) 4.287 2.950 ( -1.128 6.079 -3.263) 6.991 3.061 ( 1.322 0.017 -2.575) 2.895 3.112 ( -1.807 -0.374 4.730) 5.078 3.134 ( -0.544 -1.434 0.745) 1.705 3.253 ( -1.356 -1.449 0.836) 2.153 3.433 ( 0.463 -0.903 -7.624) 7.691 3.489 ( -0.047 -0.432 -6.571) 6.585 3.667 ( 0.298 -3.836 6.552) 7.598 3.913 ( 4.909 -2.301 0.852) 5.488 3.928 ( -0.026 -0.114 2.808) 2.810 4.000 ( 0.627 0.499 -1.378) 1.594 4.095 ( -1.916 1.555 -1.695) 2.993 4.121 ( -0.449 -3.913 -1.834) 4.344 4.245 ( 2.907 -1.552 6.506) 7.293 4.322 ( -0.859 0.942 -2.907) 3.174 4.350 ( -1.925 -0.649 -1.547) 2.553 4.483 ( -3.429 2.508 5.147) 6.674 4.564 ( 1.890 1.156 -3.127) 3.832 4.594 ( 0.552 -4.140 -8.568) 9.531 4.757 ( 1.912 2.132 5.120) 5.867 4.874 ( 1.146 -1.786 -3.149) 3.797 5.045 ( -1.005 -1.146 -4.558) 4.806 5.195 ( -2.528 3.173 -2.774) 4.915 5.263 ( -2.925 1.112 -1.466) 3.456 5.397 ( -1.321 -0.996 -3.481) 3.854 5.620 ( 3.277 -1.497 5.920) 6.930 5.667 ( -0.662 -0.223 4.351) 4.407 5.803 ( 3.825 -0.239 -0.692) 3.895 6.017 ( 1.288 1.091 1.421) 2.206 6.054 ( 2.578 2.699 0.483) 3.764 6.121 ( 4.266 -2.868 -0.631) 5.179 6.184 ( 0.958 0.622 0.399) 1.210 6.228 ( 0.633 -0.318 1.937) 2.062 6.316 ( 0.050 -1.711 1.364) 2.189 6.662 ( 1.484 4.227 -3.568) 5.728 6.915 ( 4.137 2.178 -0.650) 4.720 6.982 ( 5.035 -3.385 -0.957) 6.142 7.313 ( -4.370 4.252 -0.305) 6.105 7.385 ( 0.163 -0.528 -1.271) 1.386 7.481 ( -0.901 -0.135 -0.165) 0.926 7.614 ( -3.109 -2.601 -1.408) 4.291 7.842 ( 0.303 2.525 -2.152) 3.331 7.919 ( -0.002 -1.438 -0.393) 1.490 8.146 ( -1.706 2.381 -5.323) 6.075 8.334 ( -1.223 1.060 4.409) 4.697 8.370 ( -2.544 -2.008 0.761) 3.329 8.420 ( 0.561 -0.295 1.689) 1.804 8.479 ( 0.507 0.305 6.541) 6.568 8.608 ( 1.385 1.047 6.191) 6.430 8.781 ( -1.603 1.571 -2.913) 3.678 8.791 ( -0.362 1.544 -1.920) 2.490 11.802 ( 0.382 -0.355 0.756) 0.919 11.841 ( -0.242 -0.595 -1.939) 2.043 11.886 ( -0.862 0.619 1.614) 1.931 12.016 ( 0.639 0.508 -0.159) 0.831 15.232 ( 0.054 -1.308 1.113) 1.718 15.327 ( 1.419 -5.427 -1.244) 5.746 15.478 ( -0.211 1.564 3.018) 3.406 15.639 ( 0.898 -0.614 -0.429) 1.169 15.701 ( -0.644 0.966 2.198) 2.486 15.806 ( -3.233 5.259 0.298) 6.180 15.941 ( -0.510 0.088 -2.617) 2.668 15.992 ( -0.499 -1.745 -6.397) 6.650 16.135 ( -1.680 -1.082 -0.504) 2.062 16.183 ( -2.145 -1.618 0.688) 2.773 16.418 ( 7.317 2.160 12.057) 14.268 16.646 ( 7.080 1.853 0.227) 7.322 ======================= Grid point 99 (44/72) ======================= q-point: (-0.14 -0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -22.364 0.000 10.642) 24.766 0.663 ( -20.212 0.000 17.016) 26.421 1.043 ( -21.645 0.000 20.095) 29.535 1.109 ( 2.128 -0.000 0.037) 2.129 1.335 ( -3.808 0.000 18.570) 18.957 1.529 ( 0.702 -0.000 -7.108) 7.142 1.636 ( -7.529 0.000 -11.515) 13.758 2.072 ( 0.592 -0.000 -1.093) 1.243 2.075 ( 5.386 -0.000 6.206) 8.217 2.274 ( 2.935 -0.000 2.244) 3.695 2.375 ( 3.041 -0.000 2.829) 4.153 2.411 ( 7.550 -0.000 -1.852) 7.774 2.569 ( -2.404 0.000 0.597) 2.477 2.605 ( 0.847 -0.000 3.259) 3.368 2.718 ( 2.709 -0.000 -1.002) 2.888 2.725 ( -4.213 0.000 -4.219) 5.962 2.865 ( -2.028 0.000 3.441) 3.994 2.974 ( 1.034 -0.000 -0.594) 1.192 3.033 ( -1.145 0.000 -1.642) 2.002 3.116 ( -1.453 0.000 2.528) 2.915 3.129 ( -0.914 0.000 0.184) 0.933 3.242 ( 1.163 -0.000 -5.128) 5.258 3.396 ( -3.206 0.000 -5.879) 6.697 3.483 ( 1.385 -0.000 -15.925) 15.985 3.635 ( -0.353 0.000 8.673) 8.680 3.902 ( -0.026 0.000 2.102) 2.102 3.939 ( 3.815 -0.000 0.705) 3.880 4.024 ( 1.094 -0.000 1.477) 1.838 4.072 ( 0.512 -0.000 -2.685) 2.734 4.102 ( -1.253 0.000 -2.568) 2.858 4.243 ( 3.372 -0.000 9.622) 10.195 4.289 ( -6.770 0.000 -2.805) 7.328 4.358 ( 0.919 -0.000 -2.972) 3.111 4.492 ( -1.159 0.000 8.022) 8.106 4.558 ( 3.004 -0.000 -9.566) 10.026 4.584 ( 1.315 -0.000 -5.136) 5.302 4.807 ( 1.437 -0.000 -1.692) 2.220 4.845 ( 0.098 -0.000 5.501) 5.502 5.011 ( -2.108 0.000 -5.386) 5.784 5.202 ( -2.139 0.000 -1.626) 2.687 5.275 ( -0.569 0.000 -4.438) 4.474 5.351 ( -1.937 0.000 -1.818) 2.656 5.629 ( 1.107 -0.000 5.597) 5.706 5.676 ( -0.500 0.000 6.343) 6.362 5.844 ( 5.100 -0.000 2.439) 5.653 6.055 ( 0.414 -0.000 -4.614) 4.632 6.060 ( -2.043 0.000 4.232) 4.700 6.141 ( 5.253 -0.000 -0.345) 5.264 6.210 ( 7.129 -0.000 0.453) 7.143 6.264 ( -1.406 0.000 4.218) 4.446 6.303 ( 3.384 -0.000 2.055) 3.959 6.711 ( 0.225 -0.000 -4.687) 4.692 6.975 ( 3.633 -0.000 -1.606) 3.972 6.991 ( 6.079 -0.000 0.218) 6.083 7.303 ( -6.029 0.000 0.461) 6.046 7.352 ( -1.000 0.000 -2.210) 2.426 7.487 ( -3.205 0.000 1.700) 3.628 7.536 ( -1.386 0.000 0.714) 1.559 7.884 ( -1.433 0.000 1.277) 1.920 7.908 ( 4.040 -0.000 -4.757) 6.241 8.167 ( -0.170 0.000 -4.516) 4.519 8.276 ( -8.897 0.000 -1.380) 9.004 8.341 ( -1.639 0.000 2.983) 3.404 8.428 ( 0.350 -0.000 0.348) 0.493 8.492 ( 0.232 -0.000 6.868) 6.872 8.705 ( 8.486 -0.000 4.814) 9.756 8.785 ( -1.184 0.000 -1.841) 2.189 8.801 ( 0.253 -0.000 -2.830) 2.842 11.800 ( -0.273 0.000 -0.002) 0.274 11.832 ( 0.085 -0.000 -1.803) 1.805 11.889 ( -0.327 0.000 2.213) 2.237 12.024 ( 0.247 -0.000 -0.056) 0.253 15.223 ( -0.240 0.000 0.276) 0.365 15.262 ( -0.124 0.000 0.559) 0.573 15.507 ( 1.468 -0.000 4.022) 4.282 15.635 ( 0.542 -0.000 -0.617) 0.821 15.708 ( -0.399 0.000 2.106) 2.144 15.878 ( -1.364 0.000 -2.412) 2.771 15.890 ( -5.795 0.000 -6.478) 8.691 15.939 ( -0.211 0.000 -1.463) 1.478 16.111 ( -1.025 0.000 -0.699) 1.240 16.151 ( -1.599 0.000 0.771) 1.776 16.617 ( 19.246 -0.000 17.104) 25.748 16.705 ( 4.642 -0.000 1.029) 4.754 ======================= Grid point 100 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 3.552 -0.000 21.118) 21.415 0.911 ( -4.378 0.000 20.422) 20.886 1.112 ( -2.487 0.000 3.160) 4.022 1.127 ( -2.324 0.000 -0.588) 2.397 1.229 ( 3.612 -0.000 -17.208) 17.583 1.311 ( 3.185 -0.000 -15.901) 16.217 1.849 ( -1.952 0.000 24.702) 24.779 2.046 ( -0.776 0.000 -2.803) 2.909 2.253 ( -3.945 0.000 10.941) 11.630 2.346 ( -1.864 0.000 1.695) 2.519 2.471 ( -1.442 0.000 0.621) 1.570 2.505 ( 6.548 -0.000 0.267) 6.553 2.564 ( -4.775 0.000 0.356) 4.788 2.573 ( -1.719 0.000 3.081) 3.528 2.670 ( 2.938 -0.000 -1.915) 3.508 2.825 ( -0.620 0.000 11.261) 11.278 2.893 ( 4.181 -0.000 -4.335) 6.022 2.935 ( -1.389 0.000 -15.831) 15.891 2.988 ( 2.082 -0.000 -3.010) 3.660 3.025 ( 2.120 -0.000 -8.467) 8.728 3.062 ( -0.296 0.000 -1.511) 1.539 3.075 ( -2.826 0.000 -1.017) 3.004 3.237 ( -2.441 0.000 0.045) 2.441 3.308 ( 4.411 -0.000 -5.055) 6.709 3.820 ( -1.724 0.000 10.120) 10.265 3.966 ( 2.075 -0.000 -3.198) 3.812 3.999 ( -0.048 0.000 4.396) 4.397 4.047 ( 1.863 -0.000 2.465) 3.090 4.075 ( 1.611 -0.000 -1.670) 2.320 4.101 ( -0.479 0.000 1.231) 1.321 4.165 ( -2.717 0.000 -0.836) 2.843 4.232 ( -0.635 0.000 -7.821) 7.847 4.274 ( -2.979 0.000 1.008) 3.145 4.379 ( 1.376 -0.000 -8.627) 8.736 4.567 ( -0.437 0.000 7.046) 7.059 4.718 ( 0.944 -0.000 -8.054) 8.110 4.765 ( 7.165 -0.000 4.495) 8.458 4.853 ( -4.874 0.000 -4.644) 6.733 5.007 ( -3.519 0.000 6.547) 7.433 5.094 ( 1.003 -0.000 -3.970) 4.095 5.209 ( 1.110 -0.000 1.736) 2.061 5.279 ( -0.807 0.000 -4.312) 4.387 5.771 ( -1.366 0.000 8.698) 8.805 5.817 ( -1.841 0.000 7.912) 8.123 5.937 ( 1.494 -0.000 -7.560) 7.706 5.943 ( 2.234 -0.000 -3.466) 4.123 6.106 ( -1.792 0.000 2.765) 3.295 6.180 ( -0.550 0.000 -4.812) 4.844 6.197 ( -1.045 0.000 6.938) 7.017 6.331 ( 1.068 -0.000 -5.943) 6.038 6.450 ( 2.515 -0.000 8.004) 8.390 6.585 ( -1.187 0.000 -6.430) 6.539 7.106 ( -0.121 0.000 1.697) 1.701 7.127 ( 4.462 -0.000 -0.415) 4.481 7.221 ( -1.899 0.000 1.210) 2.252 7.258 ( 1.214 -0.000 -2.624) 2.891 7.498 ( -0.653 0.000 1.178) 1.347 7.515 ( -0.645 0.000 -0.561) 0.855 7.950 ( -0.270 0.000 3.077) 3.089 7.970 ( 5.253 -0.000 0.697) 5.299 8.071 ( -8.310 0.000 -1.427) 8.432 8.085 ( 3.554 -0.000 -3.305) 4.853 8.381 ( -2.127 0.000 4.104) 4.622 8.432 ( 0.753 -0.000 -0.934) 1.200 8.608 ( -1.532 0.000 5.284) 5.501 8.695 ( 1.008 -0.000 -3.968) 4.094 8.751 ( -2.376 0.000 -1.070) 2.606 8.764 ( 1.791 -0.000 -2.069) 2.737 11.787 ( -1.205 0.000 0.717) 1.402 11.809 ( 1.202 -0.000 -1.475) 1.903 11.955 ( 0.632 -0.000 2.883) 2.951 12.000 ( -0.681 0.000 -1.744) 1.872 15.235 ( 0.848 -0.000 0.615) 1.048 15.245 ( -1.138 0.000 -0.481) 1.235 15.600 ( 1.847 -0.000 0.735) 1.988 15.619 ( -0.478 0.000 -1.118) 1.216 15.756 ( -1.524 0.000 2.447) 2.883 15.807 ( 0.823 -0.000 -2.938) 3.051 15.816 ( -0.127 0.000 3.911) 3.913 15.888 ( 0.013 -0.000 -3.471) 3.471 16.116 ( 1.579 -0.000 0.430) 1.636 16.124 ( -1.599 0.000 -0.333) 1.633 16.804 ( 0.660 -0.000 2.996) 3.068 16.859 ( -1.817 0.000 -2.728) 3.278 ======================= Grid point 101 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 2.642 -1.764 13.568) 13.935 0.998 ( 9.591 -9.387 15.209) 20.284 1.077 ( -2.219 0.401 -1.680) 2.812 1.204 ( 0.214 -7.217 4.229) 8.367 1.244 ( 3.195 -2.096 -15.924) 16.376 1.474 ( 9.600 -10.112 -12.431) 18.680 1.880 ( -1.075 -0.881 17.675) 17.730 2.012 ( -2.171 1.832 -4.060) 4.955 2.269 ( -4.926 -4.206 13.302) 14.795 2.294 ( -4.449 3.497 1.442) 5.840 2.351 ( -2.488 6.340 -1.321) 6.938 2.427 ( -0.873 4.935 -2.001) 5.397 2.570 ( -0.509 1.273 2.441) 2.800 2.606 ( -2.812 -1.585 6.003) 6.815 2.662 ( 2.300 3.256 -1.842) 4.391 2.764 ( 0.966 6.339 5.957) 8.752 2.861 ( -0.938 2.003 4.886) 5.363 2.911 ( 4.880 6.576 -4.256) 9.229 3.004 ( 2.419 4.708 -4.720) 7.092 3.019 ( 2.842 -5.600 -20.028) 20.989 3.090 ( -0.948 -3.715 -1.920) 4.288 3.136 ( 2.887 -5.638 -0.522) 6.356 3.285 ( -1.913 -7.285 4.622) 8.837 3.440 ( 2.490 -8.004 -5.361) 9.951 3.824 ( -1.434 -0.695 8.703) 8.848 3.985 ( 3.089 0.512 -4.367) 5.373 4.011 ( -0.968 -0.920 1.252) 1.831 4.054 ( -0.044 2.272 -1.629) 2.796 4.073 ( 1.939 -0.672 6.431) 6.751 4.117 ( -1.051 -1.807 -2.641) 3.368 4.165 ( 0.237 -1.763 0.107) 1.782 4.210 ( -0.796 0.015 -4.508) 4.578 4.306 ( -1.860 -4.120 0.406) 4.538 4.398 ( 0.778 -1.707 -6.466) 6.733 4.552 ( -0.550 1.909 7.439) 7.700 4.705 ( 1.055 1.228 -5.852) 6.072 4.736 ( -3.186 4.820 0.429) 5.794 4.841 ( 2.215 -0.259 -3.086) 3.807 4.986 ( -3.895 -0.515 4.004) 5.609 5.089 ( 2.501 1.051 -1.626) 3.163 5.217 ( 1.643 0.049 2.848) 3.288 5.269 ( -0.531 -0.352 -5.416) 5.453 5.751 ( -3.467 2.290 8.014) 9.027 5.804 ( 0.004 -0.369 5.521) 5.534 5.906 ( -0.363 2.730 -3.921) 4.791 5.955 ( 0.497 -0.638 -6.865) 6.912 6.093 ( -2.482 0.208 3.438) 4.246 6.155 ( -1.916 0.582 -2.273) 3.030 6.219 ( -1.290 -3.100 6.034) 6.906 6.335 ( -0.494 -1.005 -3.080) 3.278 6.445 ( 2.143 3.735 5.892) 7.298 6.525 ( -0.817 4.239 -7.577) 8.721 7.065 ( -7.135 2.722 -0.296) 7.642 7.089 ( -4.667 -1.475 -0.433) 4.913 7.238 ( 6.112 3.271 0.669) 6.964 7.271 ( 6.642 2.937 -1.550) 7.426 7.503 ( -0.629 -0.480 0.112) 0.799 7.543 ( 0.223 -2.912 -1.569) 3.315 7.842 ( -2.626 5.366 1.998) 6.299 7.967 ( 5.084 4.468 -3.162) 7.470 8.094 ( -2.890 -6.128 0.588) 6.801 8.171 ( 3.717 -2.687 0.237) 4.593 8.413 ( -1.465 -4.330 3.260) 5.615 8.453 ( 0.653 -1.158 0.729) 1.516 8.593 ( -1.759 1.037 4.962) 5.365 8.684 ( -2.941 0.727 -0.594) 3.088 8.700 ( 1.531 2.406 -0.415) 2.882 8.762 ( 0.892 1.346 -2.822) 3.251 11.785 ( -1.064 -0.768 0.794) 1.533 11.827 ( 1.409 -0.897 -1.402) 2.181 11.953 ( 0.442 1.117 2.777) 3.026 11.981 ( -0.772 0.993 -1.949) 2.320 15.245 ( -0.880 -1.804 1.646) 2.595 15.294 ( 0.889 -4.052 -2.093) 4.647 15.587 ( 0.851 2.512 1.624) 3.110 15.605 ( -0.590 0.844 -1.853) 2.120 15.743 ( -1.481 0.165 3.910) 4.185 15.812 ( 0.366 0.184 3.261) 3.287 15.846 ( 2.526 -1.299 -3.451) 4.470 15.887 ( 0.578 -0.201 -4.090) 4.135 16.125 ( -1.027 -1.562 -0.298) 1.893 16.148 ( 1.997 -1.403 0.366) 2.468 16.708 ( -4.832 7.577 4.665) 10.125 16.762 ( -4.216 5.287 -1.448) 6.915 ======================= Grid point 102 (47/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 4.036 -3.207 3.252) 6.095 1.039 ( -0.091 -0.007 -2.192) 2.194 1.271 ( -0.757 -11.475 9.339) 14.814 1.346 ( 2.299 -8.023 -11.514) 14.220 1.431 ( 8.884 -11.857 8.657) 17.160 1.744 ( 9.735 -9.695 -11.194) 17.722 1.872 ( -0.059 3.451 7.244) 8.024 1.956 ( 0.749 1.317 -3.591) 3.898 2.140 ( -3.979 6.266 -2.346) 7.785 2.184 ( -5.536 5.146 0.287) 7.564 2.349 ( -2.374 2.387 -0.435) 3.394 2.386 ( -3.954 -2.801 5.464) 7.303 2.476 ( 0.188 5.682 2.811) 6.342 2.583 ( -2.648 -0.154 3.495) 4.388 2.602 ( 3.070 4.728 -1.396) 5.808 2.701 ( 3.770 4.229 2.176) 6.069 2.790 ( 0.543 5.813 5.744) 8.190 2.808 ( -2.581 5.472 -2.640) 6.601 2.976 ( 3.070 1.005 3.586) 4.827 3.134 ( 2.472 -7.277 -5.037) 9.189 3.190 ( 2.554 -5.512 -4.352) 7.473 3.264 ( 1.587 -5.548 -2.243) 6.191 3.408 ( -2.800 -5.789 5.034) 8.167 3.565 ( -0.094 -4.523 -3.081) 5.473 3.844 ( -1.406 -1.783 6.140) 6.546 3.955 ( -0.419 4.304 -2.436) 4.963 4.003 ( -1.464 -0.376 -0.205) 1.525 4.038 ( 2.212 -0.358 -2.836) 3.615 4.123 ( 1.804 -1.167 6.915) 7.241 4.130 ( -2.862 -0.522 -4.602) 5.444 4.186 ( 0.900 -1.273 -1.355) 2.066 4.237 ( 1.569 -2.669 -1.704) 3.534 4.368 ( -1.492 -3.132 0.542) 3.511 4.407 ( -1.492 -0.102 -1.364) 2.024 4.513 ( -0.853 2.135 6.359) 6.762 4.654 ( -0.720 0.668 3.792) 3.917 4.681 ( 2.176 2.339 -8.987) 9.538 4.837 ( 2.027 1.641 -3.979) 4.757 4.961 ( -2.880 0.353 2.296) 3.700 5.099 ( 2.812 0.806 -2.283) 3.711 5.260 ( 2.005 -1.935 1.221) 3.042 5.283 ( 1.232 -2.265 -3.087) 4.022 5.691 ( -1.811 1.387 4.490) 5.036 5.798 ( 0.083 3.201 -0.980) 3.349 5.879 ( -2.321 -2.594 2.640) 4.369 5.914 ( -4.278 2.840 -3.598) 6.270 6.085 ( -1.593 -1.090 2.174) 2.907 6.127 ( -1.554 -0.475 -1.802) 2.427 6.289 ( -0.828 -1.845 5.699) 6.047 6.315 ( -0.143 2.076 -0.752) 2.213 6.375 ( 0.917 6.137 0.414) 6.219 6.453 ( 0.536 0.118 -6.485) 6.509 6.965 ( -5.954 0.904 1.525) 6.212 7.071 ( -4.211 -1.027 -2.811) 5.166 7.190 ( 3.260 6.267 0.638) 7.093 7.281 ( 5.932 1.777 1.777) 6.443 7.480 ( -0.386 1.948 -3.146) 3.720 7.590 ( 1.529 -0.803 -1.578) 2.339 7.764 ( -2.274 0.951 1.192) 2.737 7.949 ( 3.973 1.777 -2.051) 4.811 8.171 ( -1.629 -4.488 -3.412) 5.868 8.243 ( 3.692 -1.492 4.627) 6.104 8.467 ( -3.397 -1.838 1.640) 4.196 8.476 ( -0.449 -0.484 2.676) 2.756 8.560 ( -0.901 -0.235 2.632) 2.792 8.662 ( -0.387 0.497 4.315) 4.360 8.681 ( 1.573 1.297 -2.332) 3.097 8.736 ( 0.626 1.388 -3.116) 3.468 11.797 ( -0.833 -1.302 0.993) 1.837 11.861 ( 1.433 -1.490 -1.399) 2.496 11.932 ( 0.018 1.647 2.189) 2.740 11.948 ( -0.523 1.639 -1.764) 2.464 15.283 ( -1.307 -2.847 2.185) 3.819 15.378 ( 1.401 -3.717 -3.096) 5.036 15.542 ( -0.531 2.346 2.470) 3.448 15.580 ( -0.041 1.316 -1.237) 1.807 15.735 ( -0.661 0.158 4.425) 4.477 15.812 ( -0.050 0.624 4.231) 4.277 15.868 ( 1.113 0.183 -4.110) 4.262 15.898 ( 1.592 -0.313 -5.641) 5.869 16.164 ( 0.278 -3.034 -0.635) 3.112 16.196 ( 1.806 -1.637 0.251) 2.450 16.536 ( -4.758 5.997 5.360) 9.346 16.614 ( -3.770 5.773 -2.193) 7.236 ======================= Grid point 103 (48/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.061 -0.654 0.505) 0.829 1.082 ( 0.790 -0.092 -1.562) 1.753 1.462 ( 0.902 -5.612 0.072) 5.685 1.516 ( 1.087 -8.635 1.663) 8.860 1.685 ( 1.569 -4.044 12.266) 13.010 1.784 ( -0.433 1.013 -4.147) 4.291 1.922 ( 7.032 -1.495 -8.501) 11.134 1.971 ( -4.076 4.708 -0.508) 6.247 2.036 ( 7.539 -3.600 -2.954) 8.862 2.090 ( -3.808 0.045 -2.658) 4.645 2.238 ( -4.268 7.471 -2.576) 8.982 2.280 ( -2.146 2.642 -1.948) 3.921 2.498 ( 2.009 0.381 5.200) 5.588 2.557 ( -0.804 0.943 1.302) 1.798 2.580 ( 1.326 0.958 0.012) 1.635 2.645 ( 1.161 2.522 -0.674) 2.857 2.701 ( -2.936 0.840 2.135) 3.726 2.750 ( 0.880 1.101 0.909) 1.677 2.988 ( 0.261 -0.957 1.734) 1.998 3.272 ( -1.444 -1.063 2.474) 3.055 3.296 ( 5.239 -3.795 3.052) 7.152 3.365 ( 1.034 -4.989 -3.505) 6.185 3.424 ( -3.523 -0.097 4.081) 5.392 3.593 ( -1.061 0.687 0.032) 1.265 3.860 ( -1.109 -0.022 3.511) 3.682 3.881 ( -0.877 1.573 2.233) 2.869 3.989 ( -1.322 0.230 -2.800) 3.104 4.053 ( -2.433 1.463 -1.977) 3.460 4.107 ( 2.252 -1.400 -0.106) 2.654 4.154 ( 1.070 -0.382 2.978) 3.188 4.235 ( 2.289 -1.140 0.479) 2.602 4.291 ( 0.563 -1.527 -3.257) 3.641 4.375 ( 0.511 0.119 0.853) 1.002 4.396 ( -4.160 -1.883 3.023) 5.476 4.514 ( 1.537 -0.535 1.073) 1.950 4.624 ( 0.399 3.512 -9.101) 9.763 4.682 ( 0.489 -1.838 0.812) 2.068 4.842 ( 2.750 0.063 1.155) 2.984 4.925 ( -2.357 0.522 -1.802) 3.012 5.094 ( 1.540 1.384 -3.915) 4.429 5.301 ( 0.248 -1.345 0.275) 1.395 5.360 ( 2.531 -2.737 -0.106) 3.729 5.689 ( 1.394 -0.045 2.238) 2.637 5.725 ( -1.588 1.861 -2.197) 3.288 5.792 ( -4.776 3.665 -0.076) 6.021 5.941 ( -0.748 -3.836 3.034) 4.948 6.072 ( -1.705 -0.031 0.005) 1.705 6.175 ( -0.466 -4.655 -1.985) 5.082 6.201 ( -0.054 5.360 3.238) 6.262 6.250 ( 0.779 6.490 0.377) 6.548 6.376 ( 1.013 -2.519 -2.478) 3.676 6.465 ( -0.231 -0.310 -2.507) 2.536 6.940 ( -2.999 -1.914 3.421) 4.936 7.046 ( -1.179 0.936 -4.019) 4.292 7.104 ( 1.484 3.976 1.048) 4.372 7.309 ( 1.693 -0.426 2.447) 3.006 7.440 ( 1.149 1.739 -4.064) 4.568 7.601 ( 0.349 -0.084 -1.133) 1.189 7.748 ( -0.944 -0.294 -0.233) 1.016 7.955 ( 1.496 0.529 -1.347) 2.081 8.206 ( -1.047 -0.657 -1.252) 1.759 8.316 ( 3.567 -2.416 3.880) 5.798 8.431 ( -3.649 1.047 0.380) 3.816 8.469 ( -0.120 0.665 3.075) 3.149 8.596 ( -1.093 -2.931 -0.104) 3.130 8.642 ( 1.252 2.110 2.427) 3.451 8.671 ( -0.835 0.412 -1.070) 1.418 8.731 ( 1.238 -0.066 -0.783) 1.466 11.818 ( -0.381 -1.431 1.145) 1.872 11.893 ( 0.675 0.170 0.232) 0.734 11.903 ( -0.092 1.454 -0.842) 1.683 11.917 ( -0.132 0.009 -0.631) 0.644 15.324 ( -1.042 -2.287 1.565) 2.961 15.420 ( 0.927 0.598 0.297) 1.142 15.519 ( -0.625 -0.392 -1.405) 1.587 15.558 ( 0.301 0.612 0.183) 0.706 15.736 ( -0.118 0.035 4.120) 4.122 15.800 ( -0.549 0.775 4.303) 4.407 15.865 ( 0.381 0.171 -3.885) 3.907 15.906 ( 1.176 0.024 -5.461) 5.586 16.218 ( 0.854 -1.393 -0.178) 1.643 16.233 ( 0.498 -1.126 -0.191) 1.246 16.436 ( -1.812 1.640 3.089) 3.939 16.502 ( -1.900 3.049 -1.161) 3.776 ======================= Grid point 104 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.406 -0.206 1.097) 1.187 1.059 ( -0.343 2.136 -1.212) 2.480 1.368 ( -2.116 13.481 5.206) 14.605 1.603 ( -1.672 4.623 -0.152) 4.918 1.656 ( 3.237 1.017 5.769) 6.693 1.831 ( -5.861 -3.170 -0.031) 6.664 1.880 ( -2.012 2.282 -4.113) 5.115 2.007 ( -2.041 2.167 -4.062) 5.036 2.047 ( 0.006 -0.304 -2.763) 2.780 2.079 ( 1.336 0.033 -4.458) 4.654 2.206 ( 5.697 -7.612 -0.664) 9.531 2.289 ( 3.999 -3.245 -2.234) 5.614 2.521 ( -5.462 -0.466 3.733) 6.633 2.546 ( 0.645 -3.239 0.847) 3.409 2.583 ( 0.787 -0.769 0.361) 1.158 2.632 ( -2.057 -1.011 0.227) 2.303 2.700 ( 0.759 -1.463 0.575) 1.746 2.788 ( -0.002 -4.122 -0.118) 4.124 3.033 ( 2.917 -1.106 -2.615) 4.070 3.135 ( -8.105 9.702 9.960) 16.094 3.299 ( -0.369 3.336 3.716) 5.007 3.420 ( -0.841 1.610 -4.498) 4.851 3.462 ( 3.345 -1.259 0.648) 3.633 3.554 ( 0.738 2.403 3.522) 4.327 3.860 ( -0.495 0.040 2.675) 2.720 3.883 ( 1.002 -1.907 4.312) 4.820 3.963 ( -1.111 1.091 -2.189) 2.686 4.017 ( 0.631 0.321 0.863) 1.115 4.121 ( -0.144 2.132 0.095) 2.139 4.188 ( 2.443 -0.699 -0.295) 2.558 4.247 ( 0.141 1.106 0.203) 1.133 4.280 ( -1.160 1.346 -3.989) 4.367 4.402 ( 2.380 -1.411 -1.637) 3.215 4.429 ( -3.236 -4.084 4.688) 7.009 4.516 ( 3.971 2.888 -0.532) 4.939 4.562 ( -2.482 0.846 -5.014) 5.659 4.703 ( -2.101 -1.346 -3.810) 4.554 4.863 ( -0.608 -1.016 4.283) 4.444 4.931 ( 1.136 -2.290 -5.497) 6.062 5.076 ( 0.841 1.222 -2.621) 3.011 5.297 ( -1.319 1.459 0.571) 2.048 5.377 ( -1.260 1.664 -1.584) 2.620 5.683 ( -0.690 -0.962 2.517) 2.781 5.713 ( -0.537 -0.160 -0.669) 0.872 5.777 ( 4.536 -1.356 0.980) 4.835 5.994 ( -0.167 -1.537 -0.119) 1.550 6.071 ( 2.215 0.818 -1.728) 2.926 6.133 ( -1.249 2.108 3.394) 4.186 6.171 ( 2.026 0.788 3.099) 3.786 6.273 ( -0.986 -5.517 -0.539) 5.630 6.402 ( 0.449 0.642 -3.562) 3.648 6.443 ( -0.186 1.175 -1.174) 1.672 6.962 ( 2.166 0.540 4.085) 4.655 7.005 ( 1.555 1.436 -2.617) 3.366 7.115 ( -1.756 -4.335 -0.366) 4.691 7.324 ( -2.932 -1.406 1.250) 3.484 7.438 ( 2.445 -0.283 -4.022) 4.716 7.601 ( -1.351 -0.401 -1.058) 1.762 7.755 ( 1.306 -0.483 -0.930) 1.674 7.943 ( -1.444 0.608 -0.345) 1.605 8.176 ( -0.658 2.666 1.576) 3.166 8.378 ( -2.412 1.082 -1.874) 3.240 8.403 ( 3.454 -2.098 3.165) 5.133 8.469 ( 0.144 -0.039 2.900) 2.904 8.604 ( 0.540 1.629 1.031) 2.002 8.643 ( -0.974 -1.250 -0.420) 1.639 8.658 ( -1.359 -0.926 0.756) 1.810 8.739 ( 0.353 0.157 -1.026) 1.096 11.836 ( 0.322 0.034 -0.160) 0.361 11.868 ( -0.343 1.768 1.608) 2.414 11.882 ( -0.305 -0.173 0.256) 0.434 11.945 ( 0.288 -1.851 -1.818) 2.611 15.337 ( -0.163 0.800 0.248) 0.853 15.400 ( 0.047 1.486 2.322) 2.757 15.508 ( -0.404 0.470 -0.752) 0.974 15.581 ( 0.507 -1.878 -1.590) 2.512 15.741 ( 0.010 -0.091 3.940) 3.941 15.790 ( -0.841 0.057 4.461) 4.540 15.863 ( 0.046 -0.317 -3.723) 3.736 15.907 ( 0.644 0.064 -5.258) 5.298 16.210 ( -1.025 1.954 0.628) 2.294 16.235 ( -0.663 0.685 -0.067) 0.955 16.457 ( 1.333 -2.178 1.471) 2.947 16.486 ( 2.098 -2.626 -0.279) 3.373 ======================= Grid point 105 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -2.476 4.880 4.504) 7.088 1.036 ( -1.934 4.745 2.985) 5.930 1.113 ( -0.625 7.701 6.627) 10.179 1.471 ( -3.098 7.136 -0.054) 7.779 1.559 ( -0.278 9.180 -4.036) 10.032 1.612 ( -11.606 10.940 -5.885) 17.001 1.878 ( -2.442 1.269 4.413) 5.201 2.002 ( -1.069 -6.308 -5.451) 8.405 2.107 ( 5.892 -3.578 0.982) 6.963 2.199 ( 2.744 -7.212 -1.123) 7.798 2.333 ( 4.742 0.568 2.350) 5.322 2.424 ( 1.399 -4.183 -0.991) 4.520 2.513 ( -3.714 -6.061 1.934) 7.367 2.592 ( -1.385 -2.047 -1.892) 3.113 2.625 ( 1.423 -3.275 -1.208) 3.770 2.694 ( -3.536 -8.159 1.255) 8.981 2.766 ( 0.894 -3.753 2.560) 4.629 2.773 ( -0.701 10.369 15.216) 18.426 2.945 ( -3.389 -3.531 -1.622) 5.156 3.091 ( 2.876 0.416 -6.213) 6.859 3.217 ( -2.989 4.246 2.988) 5.991 3.288 ( -2.173 8.266 -9.015) 12.422 3.458 ( 0.285 5.096 4.617) 6.882 3.503 ( 2.465 5.344 -0.395) 5.899 3.857 ( -0.747 0.669 6.161) 6.242 3.948 ( -0.279 -1.807 -2.384) 3.004 3.963 ( 1.691 -2.641 2.342) 3.914 4.026 ( 1.806 0.955 4.292) 4.754 4.059 ( 1.127 3.355 -3.242) 4.799 4.178 ( -0.164 3.292 -0.537) 3.340 4.216 ( -1.747 0.579 -1.224) 2.210 4.244 ( -0.315 0.484 -4.269) 4.308 4.425 ( 0.524 0.782 -3.960) 4.070 4.458 ( 0.238 1.285 -4.866) 5.038 4.514 ( -4.679 -1.737 3.859) 6.308 4.553 ( 4.951 -1.224 9.007) 10.350 4.704 ( -0.409 -1.391 -9.419) 9.530 4.885 ( -2.877 -2.581 -1.812) 4.269 4.989 ( 1.362 -2.871 -0.743) 3.263 5.054 ( 0.269 1.450 -0.273) 1.500 5.241 ( -1.990 2.384 0.035) 3.106 5.321 ( -1.465 1.505 -3.694) 4.249 5.721 ( 0.097 -3.380 2.959) 4.493 5.748 ( 1.806 -1.534 2.038) 3.125 5.832 ( 3.542 -0.087 3.127) 4.726 5.980 ( 0.694 2.212 -5.781) 6.229 6.080 ( 1.722 -0.044 2.342) 2.907 6.128 ( 2.134 -1.057 -1.339) 2.732 6.253 ( 2.612 -4.677 6.566) 8.474 6.322 ( -0.563 1.478 2.149) 2.668 6.342 ( -1.131 2.267 0.341) 2.556 6.478 ( 0.259 -4.876 -6.576) 8.191 6.976 ( 6.082 1.302 1.519) 6.403 7.030 ( 3.120 -0.955 0.168) 3.267 7.190 ( -3.191 -5.456 0.321) 6.329 7.312 ( -5.933 -1.806 -0.935) 6.271 7.476 ( 3.148 -1.101 -2.860) 4.393 7.583 ( -1.991 0.672 -0.915) 2.292 7.789 ( 2.350 -1.568 -1.063) 3.019 7.915 ( -3.668 -0.606 1.049) 3.863 8.118 ( 0.990 3.612 1.905) 4.202 8.321 ( -4.002 1.648 -3.077) 5.310 8.449 ( 1.561 1.754 3.049) 3.848 8.474 ( 0.933 -0.144 2.855) 3.007 8.589 ( 0.102 0.039 1.791) 1.794 8.653 ( -0.338 -1.300 0.962) 1.652 8.684 ( -0.899 -2.167 -0.332) 2.370 8.733 ( 0.096 0.023 -2.458) 2.460 11.823 ( 0.676 1.248 -1.634) 2.164 11.835 ( -0.966 1.406 1.282) 2.134 11.905 ( 0.245 -1.520 2.196) 2.682 11.977 ( -0.071 -1.645 -1.878) 2.498 15.298 ( 0.041 2.962 1.285) 3.229 15.364 ( 0.141 2.936 -2.145) 3.639 15.516 ( -0.089 -1.470 3.046) 3.383 15.611 ( -0.108 -1.338 -2.220) 2.594 15.748 ( 0.063 -0.126 3.762) 3.765 15.795 ( -0.799 -0.678 4.426) 4.548 15.862 ( -0.636 -0.114 -3.990) 4.042 15.902 ( 0.227 0.187 -4.999) 5.007 16.157 ( -0.544 2.566 0.274) 2.637 16.201 ( -1.599 1.730 -0.188) 2.363 16.543 ( 3.090 -5.332 4.954) 7.907 16.610 ( 4.748 -6.297 -2.069) 8.154 ======================= Grid point 106 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -2.759 6.316 18.359) 19.610 0.921 ( -4.616 1.714 12.089) 13.054 1.097 ( 0.616 -1.637 -1.596) 2.368 1.275 ( -7.413 9.826 6.401) 13.874 1.326 ( -8.047 6.230 -15.449) 18.500 1.392 ( 2.319 7.555 -12.495) 14.784 1.856 ( -1.180 1.226 15.675) 15.767 2.043 ( 0.028 -0.875 -3.369) 3.481 2.289 ( 4.203 -4.584 1.891) 6.500 2.304 ( -0.227 1.269 10.886) 10.962 2.344 ( -0.139 -6.295 1.315) 6.432 2.453 ( 0.251 -2.821 -2.901) 4.054 2.582 ( 0.817 2.251 5.928) 6.393 2.615 ( -0.471 -1.728 -0.471) 1.852 2.638 ( -0.722 0.382 3.852) 3.937 2.740 ( 1.126 -6.306 1.389) 6.555 2.846 ( 2.413 -3.661 1.680) 4.695 2.856 ( -0.586 -7.723 -1.476) 7.885 3.014 ( -0.108 -3.334 -8.485) 9.117 3.062 ( -2.901 2.801 -14.046) 14.613 3.088 ( 0.853 5.925 -1.256) 6.117 3.138 ( -2.895 3.581 -1.146) 4.746 3.322 ( -2.521 7.298 5.585) 9.530 3.394 ( 2.820 8.426 -4.933) 10.163 3.835 ( -1.965 1.045 9.487) 9.744 3.960 ( 0.175 -0.256 -3.691) 3.704 4.006 ( 0.795 1.388 3.844) 4.164 4.023 ( 2.517 -0.492 0.782) 2.681 4.052 ( 1.131 -0.332 0.545) 1.298 4.124 ( 0.574 2.239 1.266) 2.636 4.190 ( -2.835 -0.422 -3.759) 4.727 4.233 ( -0.506 -0.250 -4.517) 4.552 4.361 ( -3.660 4.025 -2.304) 5.908 4.400 ( 0.944 2.329 -8.081) 8.463 4.543 ( -0.664 -1.962 7.104) 7.400 4.657 ( 5.801 -2.723 6.960) 9.461 4.721 ( 2.188 -0.439 -8.996) 9.269 4.887 ( -4.189 -1.326 -3.416) 5.566 5.025 ( -1.358 0.295 6.194) 6.348 5.062 ( 1.355 -2.519 -4.481) 5.316 5.200 ( -0.388 0.451 0.232) 0.639 5.293 ( -0.740 0.227 -4.493) 4.560 5.774 ( -0.357 -0.253 6.850) 6.864 5.794 ( -0.815 -2.483 6.479) 6.986 5.882 ( 3.417 -2.586 -0.918) 4.383 5.946 ( 1.819 1.459 -7.517) 7.870 6.104 ( 0.523 -0.784 2.124) 2.323 6.166 ( 1.799 -0.921 -3.151) 3.743 6.237 ( -1.889 3.735 5.676) 7.053 6.324 ( 2.807 0.671 -3.715) 4.705 6.383 ( 1.944 -3.891 7.303) 8.500 6.561 ( -0.851 -4.315 -6.126) 7.542 7.034 ( 7.049 -0.714 2.487) 7.509 7.083 ( 6.151 -0.022 0.043) 6.151 7.236 ( -5.380 -3.337 1.147) 6.434 7.282 ( -6.119 -1.044 -2.533) 6.705 7.501 ( 1.460 0.806 0.485) 1.737 7.547 ( -0.649 1.465 -1.913) 2.495 7.855 ( 2.113 -3.570 1.481) 4.405 7.929 ( -1.840 -3.836 -0.035) 4.254 8.074 ( 2.171 2.919 0.840) 3.733 8.222 ( -6.152 3.999 -3.367) 8.073 8.415 ( -0.561 2.034 3.341) 3.951 8.455 ( -0.148 2.383 0.446) 2.429 8.606 ( -0.390 -0.710 4.743) 4.812 8.683 ( 0.023 -1.589 -3.596) 3.931 8.716 ( 0.337 -2.172 0.911) 2.379 8.750 ( 0.883 -1.401 -2.681) 3.152 11.805 ( -1.249 0.805 0.846) 1.710 11.809 ( 0.964 0.806 -1.609) 2.042 11.936 ( 0.568 -1.038 2.726) 2.972 11.997 ( -0.389 -1.010 -1.779) 2.083 15.249 ( 0.005 2.200 1.320) 2.565 15.296 ( -0.338 3.603 -2.307) 4.292 15.558 ( 1.026 -2.079 2.837) 3.664 15.622 ( -0.400 -0.473 -1.694) 1.804 15.756 ( -0.383 -0.374 3.141) 3.186 15.805 ( -0.606 -0.368 3.472) 3.544 15.839 ( -0.972 1.211 -3.910) 4.207 15.894 ( -0.157 0.059 -3.730) 3.733 16.119 ( 0.764 1.537 0.221) 1.730 16.153 ( -1.871 1.376 -0.174) 2.329 16.705 ( 3.413 -7.079 4.195) 8.908 16.772 ( 4.455 -6.370 -1.703) 7.958 ======================= Grid point 108 (52/72) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 5.494 -0.000 8.831) 10.400 0.989 ( 4.731 -0.000 12.098) 12.990 1.083 ( -0.181 0.000 4.570) 4.573 1.168 ( 11.357 -0.000 5.986) 12.838 1.367 ( 13.408 -0.000 -13.441) 18.985 1.383 ( 9.385 -0.000 -16.094) 18.631 1.877 ( -1.338 0.000 22.428) 22.468 2.007 ( -1.929 0.000 -3.812) 4.273 2.179 ( -6.908 0.000 15.558) 17.023 2.270 ( -7.018 0.000 1.898) 7.270 2.388 ( -6.251 0.000 -1.625) 6.458 2.489 ( -3.705 0.000 -1.347) 3.942 2.522 ( -4.727 0.000 3.792) 6.060 2.611 ( 4.270 -0.000 0.713) 4.329 2.706 ( 1.660 -0.000 -1.395) 2.168 2.845 ( -0.265 0.000 10.483) 10.486 2.859 ( -0.270 0.000 -7.898) 7.903 2.991 ( 5.237 -0.000 -14.351) 15.277 3.028 ( 1.014 -0.000 -7.789) 7.855 3.042 ( -0.690 0.000 -0.915) 1.146 3.073 ( 6.462 -0.000 -0.140) 6.464 3.100 ( 2.932 -0.000 2.156) 3.639 3.225 ( 2.697 -0.000 -2.323) 3.559 3.354 ( 1.028 -0.000 -5.403) 5.500 3.822 ( -1.154 0.000 9.655) 9.723 3.999 ( -1.060 0.000 3.410) 3.571 4.010 ( 3.277 -0.000 -6.835) 7.579 4.067 ( 0.199 -0.000 -3.438) 3.444 4.086 ( -0.727 0.000 -1.169) 1.377 4.107 ( 2.039 -0.000 6.403) 6.720 4.141 ( 0.105 -0.000 0.979) 0.985 4.194 ( -1.826 0.000 -5.447) 5.745 4.259 ( 0.862 -0.000 3.452) 3.558 4.385 ( 1.480 -0.000 -6.454) 6.621 4.567 ( -1.617 0.000 6.857) 7.045 4.711 ( -1.236 0.000 -5.354) 5.494 4.742 ( -3.000 0.000 -10.382) 10.806 4.863 ( 2.224 -0.000 4.434) 4.960 4.944 ( -4.496 0.000 7.665) 8.887 5.120 ( 2.704 -0.000 -2.030) 3.382 5.244 ( 2.568 -0.000 2.912) 3.882 5.256 ( -0.123 0.000 -5.796) 5.797 5.759 ( -2.643 0.000 8.922) 9.306 5.790 ( -3.074 0.000 5.322) 6.146 5.930 ( -2.665 0.000 -3.798) 4.640 5.937 ( 0.005 -0.000 -6.737) 6.737 6.065 ( -3.359 0.000 2.653) 4.281 6.132 ( -2.807 0.000 -2.637) 3.852 6.192 ( -1.049 0.000 7.941) 8.010 6.294 ( -2.982 0.000 -3.917) 4.923 6.505 ( 1.013 -0.000 6.260) 6.341 6.555 ( -0.138 0.000 -8.323) 8.325 7.009 ( -6.729 0.000 -0.541) 6.751 7.023 ( -7.657 0.000 -1.815) 7.869 7.355 ( 4.757 -0.000 -1.869) 5.111 7.357 ( 6.988 -0.000 -2.902) 7.567 7.480 ( 0.084 -0.000 2.588) 2.589 7.516 ( 2.806 -0.000 -0.156) 2.810 7.939 ( -4.825 0.000 2.999) 5.680 7.948 ( 0.569 -0.000 -3.504) 3.550 8.069 ( 3.909 -0.000 -3.990) 5.586 8.180 ( 5.980 -0.000 3.054) 6.715 8.350 ( -3.077 0.000 4.413) 5.380 8.460 ( 2.691 -0.000 0.748) 2.793 8.598 ( -0.559 0.000 5.991) 6.017 8.651 ( -5.359 0.000 -0.468) 5.380 8.737 ( 2.069 -0.000 -2.072) 2.929 8.777 ( 0.170 -0.000 -2.498) 2.504 11.771 ( -0.751 0.000 0.823) 1.114 11.829 ( 1.337 -0.000 -1.405) 1.940 11.971 ( 0.259 -0.000 2.715) 2.727 11.980 ( -0.832 0.000 -1.764) 1.950 15.228 ( -0.550 0.000 -0.192) 0.583 15.255 ( 0.937 -0.000 0.982) 1.357 15.606 ( -0.437 0.000 -1.515) 1.577 15.616 ( -0.677 0.000 -0.445) 0.810 15.743 ( -0.274 0.000 4.136) 4.145 15.826 ( 1.782 -0.000 -2.763) 3.288 15.856 ( 3.142 -0.000 2.474) 3.999 15.888 ( 0.933 -0.000 -3.480) 3.603 16.101 ( -0.684 0.000 -0.367) 0.776 16.156 ( 2.537 -0.000 0.570) 2.600 16.720 ( -11.051 0.000 2.158) 11.259 16.752 ( -6.698 0.000 1.725) 6.917 ======================= Grid point 109 (53/72) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 2.123 -1.090 0.426) 2.424 1.045 ( -0.292 -1.085 1.842) 2.157 1.152 ( 6.917 -4.355 14.867) 16.966 1.334 ( 10.133 0.772 -11.738) 15.526 1.379 ( 13.522 -3.766 3.951) 14.582 1.651 ( 12.070 -9.564 -11.726) 19.356 1.909 ( 0.924 -0.922 10.860) 10.939 1.975 ( 0.417 1.283 -2.697) 3.015 2.172 ( -9.029 1.686 4.015) 10.024 2.217 ( -4.730 -4.851 15.444) 16.865 2.243 ( -6.880 5.219 -2.327) 8.944 2.410 ( -0.754 4.138 -2.426) 4.855 2.517 ( -6.246 -2.086 4.701) 8.092 2.607 ( 1.081 3.947 1.427) 4.334 2.692 ( 1.166 2.693 -1.532) 3.310 2.815 ( 2.030 3.801 7.848) 8.953 2.852 ( -0.072 2.658 -2.308) 3.521 2.951 ( 0.734 7.056 -7.577) 10.379 3.024 ( 3.294 -3.919 -11.752) 12.819 3.026 ( -0.686 1.336 -0.546) 1.598 3.142 ( 5.414 -2.702 1.579) 6.254 3.183 ( 2.413 -4.760 -0.897) 5.412 3.307 ( 3.235 -4.651 0.674) 5.705 3.434 ( -1.553 -7.215 -5.076) 8.958 3.821 ( -1.776 -0.344 8.916) 9.097 3.981 ( -2.428 0.757 1.153) 2.792 4.017 ( 1.225 1.828 -5.723) 6.132 4.047 ( -0.311 0.299 -3.867) 3.891 4.086 ( -1.588 -0.543 -3.866) 4.215 4.138 ( 2.689 -0.069 9.070) 9.461 4.164 ( 0.518 -1.445 -2.428) 2.873 4.208 ( 1.998 -2.787 -1.550) 3.763 4.308 ( 1.729 -2.681 2.642) 4.142 4.394 ( -0.113 -0.222 -2.606) 2.618 4.541 ( -2.876 1.670 6.150) 6.991 4.656 ( -3.189 0.688 -2.542) 4.136 4.726 ( 3.266 1.102 -8.453) 9.129 4.868 ( -0.525 0.751 2.911) 3.051 4.934 ( -2.292 -0.985 4.846) 5.451 5.137 ( 2.816 0.709 -3.416) 4.483 5.258 ( 1.554 -0.647 -4.517) 4.820 5.279 ( 4.636 -0.346 1.839) 5.000 5.706 ( -3.252 1.996 6.220) 7.297 5.801 ( -3.396 -2.774 3.519) 5.622 5.854 ( -2.604 3.521 -1.482) 4.623 5.909 ( -4.443 1.461 -5.320) 7.084 6.049 ( -2.568 -1.188 1.856) 3.384 6.101 ( -3.117 0.322 -1.287) 3.388 6.224 ( 0.132 -3.097 4.428) 5.405 6.300 ( -2.229 -2.987 -0.685) 3.789 6.475 ( -0.569 3.836 4.422) 5.882 6.499 ( 0.243 4.271 -8.019) 9.089 6.936 ( -5.804 1.506 -1.252) 6.126 6.986 ( -5.231 -2.616 -1.023) 5.937 7.307 ( 0.670 4.010 -0.520) 4.099 7.382 ( 3.216 2.623 -0.423) 4.172 7.539 ( 5.011 1.834 -2.300) 5.810 7.547 ( 2.068 -2.702 0.148) 3.406 7.818 ( -0.503 5.192 1.184) 5.349 8.000 ( -1.038 0.177 -3.104) 3.278 8.088 ( 3.180 -2.479 -3.264) 5.187 8.262 ( 4.634 -1.445 4.750) 6.791 8.363 ( -4.620 -4.035 2.807) 6.745 8.492 ( 2.941 -0.087 2.382) 3.786 8.571 ( -2.581 1.830 3.282) 4.558 8.634 ( -1.440 -1.645 3.552) 4.171 8.736 ( 2.219 1.869 -1.843) 3.437 8.760 ( -0.159 1.226 -3.899) 4.091 11.773 ( -0.419 -0.724 0.996) 1.300 11.847 ( 1.029 -0.932 -1.598) 2.117 11.959 ( -0.397 1.195 0.193) 1.274 11.968 ( -0.133 0.881 0.663) 1.111 15.235 ( -0.499 -1.429 1.438) 2.088 15.307 ( 0.628 -3.943 -0.955) 4.106 15.584 ( -0.992 1.993 0.549) 2.293 15.595 ( -0.521 0.694 -0.741) 1.141 15.745 ( 0.466 0.307 4.003) 4.042 15.830 ( 0.913 0.735 0.674) 1.352 15.883 ( 1.590 0.502 -2.727) 3.197 15.904 ( 2.476 -0.478 -3.177) 4.056 16.117 ( 0.455 -2.072 0.049) 2.122 16.192 ( 2.696 -1.060 0.360) 2.919 16.580 ( -8.953 4.074 4.859) 10.971 16.648 ( -7.701 3.491 -1.190) 8.539 ======================= Grid point 110 (54/72) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.182 -0.690 -0.284) 0.768 1.077 ( 0.551 -1.051 -0.671) 1.363 1.355 ( 5.902 -8.591 11.274) 15.354 1.426 ( 10.514 -2.896 -12.197) 16.361 1.580 ( 2.991 -7.229 8.684) 11.688 1.818 ( 0.718 -0.517 -6.068) 6.132 1.955 ( 8.759 -0.347 1.881) 8.965 2.015 ( -3.314 1.106 -1.756) 3.910 2.045 ( 2.134 -0.729 0.906) 2.430 2.099 ( -0.609 3.679 -7.035) 7.962 2.320 ( -2.595 -2.567 4.517) 5.808 2.331 ( -1.320 4.352 0.940) 4.643 2.442 ( -5.210 0.753 5.444) 7.573 2.546 ( -3.021 1.695 1.425) 3.745 2.630 ( -0.483 4.361 0.134) 4.390 2.753 ( 0.055 5.893 -1.892) 6.190 2.778 ( -0.519 4.372 2.648) 5.138 2.795 ( -0.313 6.912 -0.718) 6.956 3.003 ( 2.185 0.286 1.686) 2.775 3.198 ( 4.199 -9.448 -6.458) 12.190 3.241 ( 1.943 -3.267 4.141) 5.621 3.291 ( 2.690 -4.668 0.561) 5.416 3.391 ( -0.077 -2.252 -0.007) 2.253 3.532 ( -2.397 -5.083 -3.141) 6.438 3.831 ( -1.870 -1.449 6.876) 7.272 3.930 ( -2.374 2.165 -0.247) 3.223 3.959 ( -3.184 1.813 -1.632) 4.011 4.036 ( -2.296 -0.052 -3.659) 4.320 4.095 ( 2.313 -1.737 -2.852) 4.062 4.163 ( 0.989 -0.160 4.783) 4.886 4.218 ( 1.708 -2.117 0.074) 2.721 4.267 ( 2.114 -1.570 -2.283) 3.485 4.359 ( -1.671 -0.353 0.464) 1.770 4.380 ( 0.516 0.115 1.063) 1.187 4.508 ( -0.707 -0.486 4.696) 4.774 4.646 ( -0.220 -0.279 -2.083) 2.113 4.720 ( 3.149 2.291 -3.282) 5.093 4.862 ( 1.295 -0.131 -0.330) 1.343 4.924 ( -1.770 0.902 2.102) 2.892 5.124 ( 0.698 1.598 -6.433) 6.665 5.299 ( 3.764 -0.925 -0.740) 3.946 5.350 ( 5.188 -1.961 0.660) 5.585 5.690 ( 0.598 -0.997 3.097) 3.308 5.735 ( -6.126 2.159 -1.660) 6.704 5.801 ( -7.025 3.037 -1.808) 7.864 5.866 ( 0.214 -3.166 4.039) 5.136 6.055 ( -2.568 0.671 -0.138) 2.658 6.079 ( -2.570 -3.544 -2.150) 4.877 6.293 ( -0.444 -0.725 5.936) 5.996 6.310 ( 0.284 0.350 -1.730) 1.787 6.390 ( -0.313 4.751 1.121) 4.891 6.434 ( -0.344 0.057 -6.090) 6.100 6.881 ( -3.365 -0.530 1.300) 3.646 6.992 ( -3.476 -2.393 -2.683) 5.001 7.239 ( 1.994 4.967 -0.018) 5.353 7.342 ( 0.258 2.956 2.044) 3.603 7.516 ( 4.100 4.153 -3.040) 6.580 7.590 ( -0.441 -0.808 -1.124) 1.453 7.758 ( 1.441 1.667 0.744) 2.326 7.970 ( -1.141 1.022 -2.301) 2.764 8.170 ( 2.198 -2.997 -2.936) 4.737 8.323 ( 3.537 -1.045 5.048) 6.252 8.387 ( -4.847 -2.321 0.763) 5.428 8.512 ( 2.951 1.281 3.512) 4.763 8.542 ( -1.719 -0.990 2.216) 2.974 8.654 ( -0.664 -0.639 2.624) 2.781 8.707 ( 0.947 2.713 -0.914) 3.015 8.736 ( 0.225 0.416 -3.580) 3.612 11.791 ( -0.085 -1.297 1.235) 1.793 11.873 ( 0.123 -1.398 -2.051) 2.485 11.932 ( 0.150 1.518 0.131) 1.531 11.944 ( -0.082 1.700 0.736) 1.855 15.271 ( -0.489 -2.572 2.416) 3.562 15.385 ( 0.010 -3.900 -2.803) 4.802 15.537 ( -0.686 2.121 2.734) 3.528 15.575 ( -0.014 1.018 -0.942) 1.387 15.749 ( 0.710 0.397 3.546) 3.638 15.817 ( -0.260 1.124 2.636) 2.878 15.876 ( 0.945 0.841 -3.493) 3.715 15.915 ( 1.358 0.458 -4.629) 4.846 16.180 ( 1.559 -3.116 0.008) 3.484 16.233 ( 2.238 -0.712 -0.004) 2.349 16.454 ( -5.121 2.791 4.409) 7.312 16.522 ( -5.391 2.794 -2.058) 6.412 ======================= Grid point 111 (55/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.093 -0.550 1.158) 1.285 1.082 ( -0.131 0.538 -1.476) 1.577 1.536 ( 6.237 0.996 -3.983) 7.467 1.554 ( 1.304 -7.250 6.122) 9.578 1.726 ( 0.353 -4.655 7.329) 8.690 1.753 ( -0.265 3.787 -2.118) 4.347 1.867 ( -5.741 3.052 -2.854) 7.101 2.040 ( -0.490 2.198 -5.337) 5.793 2.077 ( 8.313 0.490 -2.963) 8.839 2.140 ( 0.848 2.234 0.843) 2.534 2.197 ( 5.285 3.226 -2.891) 6.833 2.304 ( 3.469 1.043 -3.818) 5.263 2.464 ( -6.874 1.193 2.628) 7.456 2.516 ( -3.430 -5.911 4.498) 8.182 2.537 ( -3.448 1.878 -0.787) 4.005 2.652 ( -0.007 3.278 0.183) 3.283 2.677 ( -2.727 2.784 2.407) 4.581 2.737 ( -1.033 0.258 -1.100) 1.531 3.058 ( 6.802 -0.862 -0.694) 6.891 3.223 ( -4.195 3.911 6.182) 8.432 3.351 ( -1.339 0.852 4.109) 4.405 3.399 ( 3.772 -3.753 -3.018) 6.118 3.442 ( 3.374 -4.520 1.478) 5.831 3.555 ( -2.570 -1.316 -0.789) 2.993 3.851 ( -2.332 -1.054 4.202) 4.920 3.874 ( 0.175 0.384 3.513) 3.538 3.943 ( -2.578 -2.133 -2.406) 4.121 4.012 ( 0.109 0.572 -0.012) 0.583 4.135 ( -1.118 0.024 1.255) 1.681 4.194 ( 2.994 -1.703 -1.655) 3.821 4.248 ( -0.465 -0.867 -1.215) 1.564 4.281 ( -1.431 1.032 -3.954) 4.330 4.340 ( -1.941 -2.092 5.943) 6.593 4.409 ( 2.727 -0.731 -1.610) 3.250 4.533 ( 0.242 -1.097 1.226) 1.663 4.622 ( 1.498 3.051 -7.648) 8.369 4.696 ( 0.930 2.258 2.590) 3.560 4.855 ( -2.715 1.376 2.807) 4.140 4.919 ( 3.030 -1.026 -3.101) 4.455 5.090 ( -0.556 1.004 -6.171) 6.277 5.331 ( 2.707 1.387 0.804) 3.146 5.404 ( 1.802 1.061 -0.769) 2.228 5.656 ( -3.729 -0.302 1.984) 4.235 5.703 ( -2.805 0.580 -0.798) 2.974 5.776 ( 4.361 -3.210 -0.106) 5.416 5.934 ( -1.331 -3.531 3.112) 4.891 6.032 ( -2.197 -1.903 0.066) 2.907 6.145 ( -1.866 -5.882 -3.160) 6.933 6.217 ( 0.762 5.529 3.590) 6.636 6.265 ( 0.400 5.280 0.734) 5.346 6.391 ( 1.215 -2.228 -3.011) 3.938 6.440 ( -1.527 -0.826 -1.937) 2.601 6.902 ( -1.727 -3.670 3.625) 5.439 7.009 ( -1.336 -2.512 -4.009) 4.916 7.160 ( 3.717 6.051 0.971) 7.167 7.296 ( -2.894 1.217 1.828) 3.633 7.479 ( 3.132 2.306 -3.532) 5.253 7.576 ( -2.524 0.226 -0.827) 2.666 7.773 ( 3.596 -0.089 -0.627) 3.651 7.934 ( -2.985 0.758 -1.363) 3.368 8.209 ( 1.256 0.332 0.615) 1.438 8.363 ( -3.116 -0.166 -2.297) 3.874 8.397 ( 3.450 -2.117 4.607) 6.132 8.514 ( 3.443 1.959 3.739) 5.448 8.568 ( -1.949 -2.886 0.017) 3.483 8.653 ( -0.087 0.476 2.007) 2.065 8.654 ( -1.091 2.519 -0.493) 2.789 8.735 ( -0.389 -0.284 -1.878) 1.939 11.821 ( 0.247 -1.581 1.333) 2.083 11.881 ( -0.982 0.340 -0.918) 1.386 11.910 ( -0.031 1.833 0.564) 1.918 11.921 ( 0.802 -0.300 -1.071) 1.371 15.319 ( 0.096 -2.305 2.283) 3.246 15.416 ( -1.297 -0.078 -0.497) 1.391 15.516 ( 0.497 0.324 -0.066) 0.597 15.562 ( 0.222 0.101 -0.622) 0.668 15.752 ( 0.428 0.379 3.715) 3.758 15.795 ( -1.032 0.856 3.600) 3.842 15.865 ( 0.805 0.579 -3.793) 3.921 15.910 ( 0.635 0.342 -5.059) 5.110 16.223 ( -0.280 -0.082 1.169) 1.204 16.252 ( 1.376 0.666 -0.781) 1.717 16.420 ( -0.549 -1.878 1.586) 2.519 16.460 ( -2.222 -0.365 -0.337) 2.277 ======================= Grid point 112 (56/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.531 1.643 0.433) 1.780 1.057 ( 0.187 1.307 -0.768) 1.528 1.411 ( 4.786 15.543 5.452) 17.153 1.587 ( -1.480 6.221 4.051) 7.569 1.686 ( -8.268 3.914 -2.377) 9.452 1.730 ( 4.130 6.524 -0.729) 7.755 1.851 ( -1.722 -6.140 -6.679) 9.235 1.887 ( -2.970 5.432 -3.032) 6.894 2.124 ( 5.728 -1.288 -0.541) 5.896 2.146 ( 3.630 -0.307 0.005) 3.643 2.314 ( 5.157 -7.180 -4.123) 9.754 2.331 ( -5.597 -5.733 4.696) 9.287 2.424 ( 2.529 0.622 -1.469) 2.990 2.517 ( -4.307 -1.254 -2.684) 5.228 2.567 ( -0.509 -3.516 2.356) 4.264 2.601 ( -2.253 -0.686 0.728) 2.465 2.708 ( -0.275 -3.639 2.396) 4.366 2.769 ( -0.989 -5.456 -1.654) 5.786 3.030 ( -4.528 10.668 13.056) 17.458 3.136 ( 5.788 0.843 -4.226) 7.216 3.281 ( -1.808 4.510 4.108) 6.363 3.389 ( -1.464 4.689 -5.490) 7.367 3.524 ( 2.431 0.145 2.842) 3.743 3.569 ( -0.234 -0.307 1.794) 1.835 3.861 ( 0.150 -0.852 3.059) 3.179 3.921 ( 0.065 -3.114 4.520) 5.489 3.939 ( 1.244 0.655 -2.003) 2.446 4.042 ( 1.274 -1.595 4.023) 4.511 4.095 ( -1.946 1.805 -2.758) 3.828 4.212 ( -0.848 1.414 1.621) 2.312 4.229 ( -2.935 0.335 -4.696) 5.548 4.256 ( 2.119 1.331 -4.473) 5.125 4.395 ( -1.899 -4.375 5.931) 7.611 4.442 ( 1.571 -0.194 -0.791) 1.770 4.524 ( -0.291 3.019 -5.075) 5.912 4.588 ( 2.907 -0.111 -1.783) 3.412 4.660 ( -0.683 1.070 0.241) 1.292 4.824 ( -2.330 -0.886 -2.923) 3.842 4.967 ( 1.963 -1.484 0.676) 2.552 5.068 ( -0.474 0.303 -4.124) 4.162 5.291 ( 0.287 3.868 1.021) 4.011 5.350 ( -1.081 3.272 -2.578) 4.303 5.667 ( -0.994 -2.501 4.036) 4.851 5.727 ( 1.149 -2.435 -1.246) 2.967 5.862 ( 4.311 -0.928 1.009) 4.524 5.966 ( -2.583 -2.375 -1.119) 3.683 6.090 ( -0.496 -3.316 4.002) 5.221 6.145 ( 1.894 3.632 0.542) 4.132 6.204 ( 0.191 -0.771 2.100) 2.245 6.253 ( -0.261 -6.449 -3.113) 7.166 6.391 ( -1.428 2.453 1.303) 3.123 6.440 ( 1.205 -0.185 -4.749) 4.903 6.976 ( -0.813 -4.745 4.215) 6.398 7.051 ( 2.066 -1.833 -3.943) 4.814 7.116 ( 2.744 1.571 2.163) 3.831 7.243 ( -5.200 0.357 -0.579) 5.244 7.492 ( 4.024 -0.474 -3.499) 5.353 7.548 ( -3.525 -0.523 -1.308) 3.796 7.810 ( 4.396 0.041 -0.865) 4.480 7.883 ( -4.418 0.853 -0.130) 4.502 8.194 ( 1.616 2.538 2.982) 4.236 8.317 ( -3.054 1.561 -3.363) 4.803 8.474 ( 2.571 -1.820 4.558) 5.540 8.511 ( 2.504 2.134 3.663) 4.924 8.597 ( -1.354 1.664 0.013) 2.145 8.604 ( -2.169 -2.978 -2.211) 4.297 8.655 ( 0.501 -0.243 2.827) 2.882 8.730 ( -0.703 -0.076 -2.059) 2.177 11.846 ( 0.094 -0.041 0.333) 0.349 11.853 ( -0.491 1.465 0.376) 1.590 11.891 ( 0.556 -0.028 1.250) 1.368 11.941 ( -0.185 -1.545 -2.071) 2.591 15.344 ( 0.517 1.085 1.679) 2.065 15.391 ( -1.004 0.613 0.235) 1.200 15.512 ( 0.879 0.573 0.606) 1.212 15.575 ( -0.597 -1.495 -2.214) 2.737 15.753 ( -0.521 0.113 4.907) 4.936 15.785 ( -0.544 -0.245 3.951) 3.996 15.860 ( 0.789 0.302 -4.318) 4.400 15.902 ( 0.420 0.239 -5.547) 5.568 16.197 ( -0.451 1.918 1.399) 2.417 16.228 ( -0.007 2.184 -1.089) 2.441 16.474 ( -0.260 -3.776 3.435) 5.111 16.519 ( 1.532 -5.849 -1.706) 6.283 ======================= Grid point 113 (57/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.290 5.483 4.743) 7.256 1.039 ( 0.900 1.279 -1.737) 2.337 1.182 ( 6.340 14.258 10.176) 18.629 1.395 ( -4.399 9.498 -1.801) 10.621 1.413 ( -8.025 11.809 -1.948) 14.410 1.602 ( 7.498 10.740 -10.628) 16.868 1.866 ( -0.979 -1.460 7.424) 7.629 1.976 ( -0.764 -5.385 -4.973) 7.370 2.201 ( 0.904 -5.100 0.409) 5.196 2.211 ( 0.382 -5.715 -0.128) 5.730 2.390 ( -1.170 1.688 5.660) 6.021 2.419 ( -1.217 0.622 0.913) 1.643 2.474 ( -0.757 -7.904 1.453) 8.072 2.559 ( 0.513 -6.231 -4.951) 7.975 2.635 ( -3.128 -3.835 1.799) 5.266 2.650 ( 1.426 -3.767 1.434) 4.276 2.767 ( -0.519 -3.740 8.121) 8.956 2.851 ( 1.177 4.851 8.967) 10.263 2.886 ( 0.770 -6.657 -3.473) 7.547 3.127 ( 2.524 4.215 -10.803) 11.868 3.180 ( -1.454 4.789 2.763) 5.717 3.249 ( 0.497 7.909 -6.918) 10.519 3.449 ( -2.732 7.153 6.949) 10.340 3.549 ( 2.509 4.671 -2.849) 6.019 3.854 ( -1.317 1.615 6.169) 6.512 3.949 ( 1.633 -1.221 -3.168) 3.768 3.993 ( 0.825 -2.929 1.757) 3.514 4.048 ( -1.029 1.133 -3.533) 3.851 4.071 ( 1.691 0.825 6.464) 6.732 4.164 ( -0.771 2.040 -2.212) 3.106 4.196 ( -0.288 1.672 -1.370) 2.181 4.230 ( -0.089 1.310 -4.611) 4.794 4.404 ( -1.800 3.676 -1.390) 4.323 4.439 ( -1.579 0.789 -4.089) 4.454 4.494 ( 0.847 -2.312 6.307) 6.771 4.649 ( 1.511 -2.996 9.495) 10.070 4.674 ( 0.504 -2.905 -10.223) 10.640 4.830 ( -0.731 -1.514 -6.356) 6.575 5.002 ( -1.404 -1.377 2.536) 3.209 5.059 ( 1.564 0.305 -2.200) 2.716 5.229 ( 0.426 2.776 1.807) 3.340 5.294 ( -0.549 1.407 -4.527) 4.772 5.717 ( -1.982 -3.133 5.637) 6.746 5.779 ( 1.523 -1.881 0.303) 2.439 5.885 ( 1.352 0.744 1.566) 2.199 5.970 ( -0.787 -0.238 -4.936) 5.004 6.099 ( -0.363 0.796 2.806) 2.939 6.143 ( 0.087 -1.707 -1.255) 2.121 6.294 ( -0.928 -2.172 7.178) 7.557 6.312 ( -0.182 0.662 1.340) 1.505 6.353 ( 1.953 -2.414 -0.561) 3.156 6.459 ( 0.180 -3.078 -7.775) 8.364 7.052 ( -2.103 -3.418 3.250) 5.164 7.101 ( 4.806 -0.523 -1.128) 4.964 7.148 ( 0.108 -2.969 1.825) 3.487 7.207 ( -2.859 -1.437 -3.063) 4.429 7.525 ( -2.390 0.004 -1.475) 2.809 7.543 ( 3.184 -1.109 -2.835) 4.405 7.822 ( -3.271 -0.091 2.413) 4.066 7.870 ( 3.548 -1.653 -2.451) 4.619 8.166 ( 3.081 3.138 3.671) 5.729 8.238 ( -3.885 3.205 -3.743) 6.275 8.474 ( 0.157 2.480 3.635) 4.403 8.498 ( 0.058 2.505 2.242) 3.363 8.579 ( -1.903 -1.315 3.315) 4.042 8.641 ( 0.506 -2.470 -1.386) 2.877 8.680 ( -0.226 -1.314 1.160) 1.767 8.732 ( 0.520 -0.975 -2.676) 2.895 11.815 ( -1.322 1.338 0.980) 2.121 11.838 ( 1.354 1.369 -1.396) 2.378 11.920 ( 0.555 -1.573 2.573) 3.067 11.965 ( -0.598 -1.623 -2.169) 2.774 15.299 ( -0.804 3.048 2.656) 4.122 15.362 ( 0.911 3.101 -3.930) 5.089 15.532 ( 0.684 -1.802 3.777) 4.240 15.592 ( -0.860 -1.424 -2.638) 3.119 15.749 ( -1.588 -0.149 5.218) 5.456 15.799 ( 0.099 -0.567 4.451) 4.488 15.855 ( 1.242 0.697 -5.301) 5.489 15.894 ( 0.460 0.336 -5.351) 5.381 16.162 ( 0.595 2.022 0.807) 2.257 16.178 ( -0.457 2.627 -0.867) 2.804 16.578 ( -0.953 -7.322 5.599) 9.267 16.654 ( 0.389 -7.525 -2.539) 7.951 ======================= Grid point 116 (58/72) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.578 0.000 -1.376) 1.493 1.027 ( 0.234 -0.000 2.260) 2.272 1.234 ( 10.994 -0.000 12.158) 16.391 1.402 ( 8.382 -0.000 2.465) 8.737 1.590 ( 12.518 -0.000 -12.515) 17.701 1.591 ( 15.272 -0.000 -6.014) 16.413 1.916 ( 1.385 -0.000 7.936) 8.055 2.000 ( 3.838 -0.000 -2.939) 4.834 2.102 ( -6.904 0.000 20.735) 21.854 2.120 ( -9.440 0.000 2.042) 9.658 2.273 ( -4.827 0.000 3.348) 5.875 2.431 ( -1.846 0.000 -2.173) 2.851 2.432 ( -5.439 0.000 1.951) 5.778 2.643 ( -1.320 0.000 1.404) 1.927 2.725 ( 0.400 -0.000 -0.314) 0.509 2.856 ( 2.175 -0.000 -15.515) 15.667 2.869 ( 0.218 -0.000 9.015) 9.018 3.009 ( 0.349 -0.000 -5.742) 5.752 3.034 ( 0.110 -0.000 -0.814) 0.822 3.043 ( 2.831 -0.000 -6.169) 6.788 3.140 ( 0.505 -0.000 1.339) 1.431 3.160 ( 0.756 -0.000 0.457) 0.884 3.320 ( 6.830 -0.000 -3.491) 7.670 3.327 ( -0.933 0.000 -1.887) 2.105 3.807 ( -3.198 0.000 9.251) 9.788 3.990 ( -0.571 0.000 3.476) 3.523 4.012 ( -3.663 0.000 -7.536) 8.379 4.041 ( 1.066 -0.000 -5.314) 5.420 4.078 ( 0.226 -0.000 -1.340) 1.359 4.155 ( 1.517 -0.000 -6.096) 6.282 4.168 ( 2.010 -0.000 3.295) 3.860 4.195 ( 3.205 -0.000 9.251) 9.790 4.319 ( 4.464 -0.000 1.040) 4.584 4.391 ( 0.015 -0.000 -3.377) 3.377 4.537 ( -3.480 0.000 5.971) 6.911 4.616 ( -3.577 0.000 -7.347) 8.171 4.763 ( 4.840 -0.000 -9.014) 10.231 4.861 ( -3.579 0.000 10.868) 11.442 4.915 ( -0.904 0.000 4.921) 5.003 5.161 ( 1.865 -0.000 -6.531) 6.792 5.271 ( 4.243 -0.000 -3.339) 5.399 5.331 ( 6.358 -0.000 1.240) 6.478 5.705 ( -5.531 0.000 5.082) 7.511 5.723 ( -5.922 0.000 2.743) 6.526 5.853 ( -4.454 0.000 0.913) 4.547 5.889 ( -3.130 0.000 -6.391) 7.116 6.003 ( -4.022 0.000 3.890) 5.596 6.085 ( -1.310 0.000 -3.233) 3.489 6.200 ( -0.235 0.000 6.068) 6.073 6.239 ( -1.777 0.000 -1.245) 2.170 6.505 ( -2.337 0.000 4.235) 4.837 6.538 ( 0.696 -0.000 -8.614) 8.642 6.904 ( -4.660 0.000 -1.578) 4.920 6.909 ( -4.012 0.000 -0.142) 4.015 7.343 ( -3.084 0.000 0.102) 3.086 7.381 ( -0.899 0.000 -4.032) 4.131 7.571 ( 7.055 -0.000 0.348) 7.064 7.634 ( 7.434 -0.000 -0.765) 7.474 7.882 ( -2.765 0.000 3.049) 4.117 7.952 ( 0.804 -0.000 -5.648) 5.705 8.111 ( 2.577 -0.000 -4.032) 4.786 8.262 ( -2.483 0.000 5.178) 5.743 8.310 ( 1.767 -0.000 4.731) 5.051 8.523 ( 2.696 -0.000 4.006) 4.828 8.560 ( -3.607 0.000 -0.961) 3.733 8.619 ( 0.626 -0.000 7.006) 7.034 8.762 ( -0.618 0.000 -4.180) 4.225 8.773 ( 2.180 -0.000 -3.310) 3.964 11.766 ( 0.015 -0.000 1.138) 1.138 11.844 ( 0.470 -0.000 -1.809) 1.869 11.967 ( -0.024 0.000 -1.254) 1.255 11.976 ( -0.395 0.000 2.324) 2.357 15.226 ( 0.230 -0.000 0.414) 0.473 15.268 ( 0.170 -0.000 0.974) 0.989 15.586 ( -2.112 0.000 0.976) 2.327 15.598 ( 0.013 -0.000 -1.546) 1.546 15.758 ( 0.420 -0.000 4.623) 4.642 15.850 ( 1.639 -0.000 -3.454) 3.823 15.902 ( 1.344 -0.000 -2.611) 2.937 15.921 ( 3.135 -0.000 -0.392) 3.159 16.105 ( 1.417 -0.000 0.848) 1.651 16.209 ( 3.092 -0.000 0.531) 3.137 16.532 ( -9.909 0.000 4.739) 10.984 16.599 ( -9.263 0.000 -1.637) 9.407 ======================= Grid point 117 (59/72) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.366 -0.846 -0.074) 0.925 1.048 ( -0.195 -1.650 -0.234) 1.678 1.346 ( 8.717 -1.121 7.848) 11.783 1.498 ( 6.023 -3.533 1.694) 7.185 1.577 ( 9.814 4.595 -6.268) 12.519 1.794 ( 5.524 -3.933 -3.433) 7.601 1.952 ( -3.609 -0.784 0.619) 3.745 2.018 ( -5.040 -0.006 1.719) 5.325 2.072 ( 9.449 -0.552 -0.137) 9.466 2.125 ( -2.986 -4.514 6.894) 8.765 2.213 ( 1.164 1.582 7.265) 7.526 2.382 ( -3.615 2.046 0.268) 4.162 2.420 ( -2.860 -0.116 1.745) 3.353 2.589 ( -4.004 3.528 0.270) 5.343 2.691 ( -1.534 2.868 0.931) 3.384 2.808 ( -1.889 3.143 -3.311) 4.941 2.878 ( 0.884 3.796 3.087) 4.973 2.933 ( 0.362 6.687 -7.167) 9.809 3.028 ( 2.090 0.132 1.164) 2.396 3.088 ( 5.526 -4.807 -6.847) 10.026 3.183 ( -0.907 -3.873 0.712) 4.041 3.212 ( -1.795 -5.982 0.847) 6.303 3.348 ( 0.630 -1.960 0.600) 2.144 3.417 ( 2.388 -4.414 -4.269) 6.589 3.795 ( -3.233 -0.897 8.408) 9.053 3.928 ( -3.796 2.583 -0.865) 4.672 3.986 ( -1.472 0.925 -5.004) 5.298 4.028 ( -0.360 2.244 0.272) 2.289 4.088 ( 2.207 -1.053 -2.965) 3.843 4.174 ( 1.230 -0.927 -0.044) 1.541 4.204 ( 1.536 -0.875 3.175) 3.634 4.262 ( 3.298 -1.924 0.842) 3.909 4.349 ( 0.344 0.297 0.427) 0.623 4.391 ( 1.612 -0.212 -0.689) 1.766 4.501 ( -1.953 0.488 4.193) 4.652 4.610 ( -1.099 -2.241 -5.013) 5.600 4.781 ( 3.156 1.713 -1.073) 3.748 4.855 ( -0.783 -1.037 2.671) 2.970 4.921 ( -0.725 -0.350 4.512) 4.583 5.148 ( 0.347 1.411 -9.271) 9.384 5.329 ( 6.916 -0.839 -1.378) 7.102 5.391 ( 6.824 0.121 0.910) 6.885 5.661 ( -5.167 -0.714 2.186) 5.656 5.670 ( -7.978 -0.922 -0.047) 8.031 5.792 ( -5.407 2.453 0.669) 5.975 5.852 ( 0.550 -0.134 0.521) 0.770 5.996 ( -3.782 -1.991 0.777) 4.344 6.055 ( -1.228 1.411 -2.226) 2.907 6.239 ( 0.337 -3.288 3.130) 4.552 6.266 ( -1.440 -3.492 1.173) 3.956 6.448 ( -2.766 3.563 2.501) 5.157 6.497 ( 1.289 3.785 -6.603) 7.719 6.860 ( -2.330 0.576 -0.387) 2.431 6.909 ( -2.970 -2.658 -1.147) 4.148 7.296 ( -0.668 1.639 -0.068) 1.771 7.376 ( -1.958 0.143 -2.112) 2.884 7.610 ( 4.108 2.325 0.074) 4.721 7.644 ( 4.969 4.279 -1.809) 6.803 7.821 ( 0.302 3.082 2.244) 3.824 7.958 ( -2.323 -0.045 -3.513) 4.212 8.148 ( 4.235 -1.906 -3.647) 5.905 8.273 ( -5.619 -3.934 2.465) 7.289 8.350 ( 3.424 -0.518 5.660) 6.635 8.518 ( -2.891 0.085 2.920) 4.110 8.560 ( 2.963 0.195 1.810) 3.478 8.641 ( 0.048 -0.870 5.808) 5.873 8.743 ( -0.264 0.833 -5.031) 5.106 8.763 ( 1.335 2.293 -3.124) 4.099 11.776 ( 0.354 -0.664 1.352) 1.547 11.850 ( -0.297 -0.772 -2.223) 2.372 11.958 ( 0.284 1.038 0.278) 1.111 11.967 ( -0.261 0.811 0.882) 1.226 15.237 ( 0.324 -1.153 1.935) 2.276 15.307 ( -0.327 -3.536 -1.077) 3.710 15.559 ( -1.683 1.060 2.591) 3.267 15.592 ( 0.372 0.603 -1.726) 1.866 15.765 ( 0.317 0.216 4.312) 4.330 15.845 ( 0.864 1.364 -1.702) 2.346 15.900 ( 1.200 1.000 -2.347) 2.819 15.935 ( 1.348 0.784 -2.981) 3.364 16.150 ( 3.055 -2.202 1.619) 4.099 16.244 ( 2.722 -0.616 0.199) 2.798 16.442 ( -7.204 1.294 4.542) 8.614 16.500 ( -7.189 1.496 -2.845) 7.875 ======================= Grid point 118 (60/72) ======================= q-point: ( 0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.258 -1.145 1.086) 1.599 1.071 ( -0.554 -1.156 -1.136) 1.713 1.456 ( 2.937 -4.040 3.981) 6.387 1.567 ( -1.990 -2.786 -0.496) 3.460 1.665 ( 12.689 -2.418 -1.789) 13.040 1.814 ( -2.577 3.163 -1.789) 4.455 1.854 ( -5.844 0.674 5.417) 7.997 2.036 ( -2.808 -2.006 -5.700) 6.663 2.167 ( 8.964 0.842 2.099) 9.245 2.203 ( 8.476 0.697 -2.061) 8.750 2.285 ( -1.961 2.177 2.353) 3.757 2.305 ( -4.297 -7.573 5.206) 10.144 2.386 ( 2.921 2.901 -3.417) 5.350 2.459 ( -6.378 4.300 0.137) 7.694 2.607 ( -1.460 4.270 2.918) 5.374 2.708 ( -5.438 4.822 0.945) 7.329 2.762 ( 0.996 7.895 -1.521) 8.102 2.796 ( 0.331 5.949 -3.685) 7.006 3.100 ( 6.765 -1.957 2.080) 7.343 3.215 ( -3.170 -1.745 2.695) 4.512 3.274 ( 3.045 -7.843 -0.631) 8.437 3.334 ( -1.738 -8.589 1.296) 8.859 3.388 ( 1.088 -1.614 -1.038) 2.206 3.487 ( -1.072 -2.708 -3.634) 4.657 3.804 ( -2.835 -1.696 6.294) 7.109 3.868 ( -3.328 0.156 -1.998) 3.885 3.913 ( 0.104 2.709 1.835) 3.273 4.013 ( -1.015 -0.823 -1.919) 2.322 4.133 ( 1.951 -0.717 0.556) 2.152 4.189 ( 0.847 0.213 0.946) 1.287 4.230 ( -0.138 -1.085 -0.166) 1.107 4.281 ( -1.113 0.958 -2.748) 3.116 4.336 ( 0.969 0.540 3.213) 3.399 4.414 ( 1.988 -0.474 -3.111) 3.722 4.521 ( 0.738 -1.410 4.016) 4.320 4.637 ( 0.387 -1.043 -5.075) 5.195 4.763 ( 0.974 2.027 5.052) 5.530 4.860 ( -1.917 1.180 0.550) 2.318 4.931 ( 2.707 -0.552 -0.476) 2.803 5.099 ( -0.894 2.038 -9.604) 9.859 5.395 ( 6.209 0.975 -0.159) 6.287 5.447 ( 4.017 0.718 0.137) 4.083 5.595 ( -6.035 -1.563 0.527) 6.257 5.655 ( -7.245 -1.223 -1.285) 7.459 5.763 ( 4.176 -1.880 3.764) 5.928 5.883 ( 0.348 -1.638 -0.078) 1.677 5.986 ( -3.489 -0.828 0.435) 3.612 6.044 ( -0.973 -2.347 -2.904) 3.858 6.300 ( -0.377 0.077 5.935) 5.947 6.311 ( -1.170 -1.705 2.500) 3.245 6.361 ( -1.145 1.588 -1.712) 2.601 6.432 ( 1.376 2.884 -6.241) 7.012 6.852 ( -0.589 -1.145 2.598) 2.900 6.937 ( -1.665 -2.983 -3.473) 4.871 7.273 ( 2.216 2.134 -0.061) 3.077 7.322 ( -2.247 3.293 0.569) 4.027 7.551 ( -0.436 4.219 1.733) 4.582 7.597 ( 1.757 3.709 -4.061) 5.774 7.812 ( 3.936 0.460 0.611) 4.010 7.917 ( -3.395 0.954 -2.566) 4.361 8.216 ( 2.824 -1.392 -0.524) 3.191 8.295 ( -4.243 -3.169 -1.153) 5.420 8.401 ( 2.991 -1.303 5.536) 6.426 8.509 ( -2.154 -1.322 1.185) 2.792 8.579 ( 2.232 1.001 4.665) 5.268 8.657 ( -0.043 -0.260 3.176) 3.187 8.707 ( 0.015 3.407 -3.313) 4.752 8.726 ( -0.257 0.531 -3.569) 3.617 11.799 ( 0.542 -1.221 1.581) 2.070 11.858 ( -0.866 -1.038 -2.426) 2.778 11.935 ( -0.592 1.452 1.860) 2.433 11.950 ( 0.965 1.377 -0.954) 1.933 15.279 ( 0.554 -2.465 3.105) 4.003 15.366 ( -1.028 -3.283 -3.153) 4.667 15.531 ( -0.767 0.976 3.728) 3.930 15.580 ( 0.817 1.028 -1.886) 2.298 15.766 ( -0.145 0.402 4.115) 4.137 15.816 ( -0.364 1.806 0.725) 1.979 15.886 ( 0.934 1.127 -2.867) 3.219 15.920 ( 0.511 0.923 -4.328) 4.455 16.215 ( 1.585 -1.260 2.208) 2.996 16.272 ( 1.917 -0.148 -1.516) 2.449 16.387 ( -3.036 -0.499 3.259) 4.482 16.431 ( -3.230 0.264 -1.777) 3.696 ======================= Grid point 119 (61/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.003 -0.101 1.451) 1.455 1.076 ( -0.103 0.055 -1.226) 1.232 1.550 ( -3.004 -5.972 6.228) 9.137 1.615 ( -0.838 -1.172 0.536) 1.537 1.717 ( 0.392 6.571 -1.900) 6.851 1.749 ( -0.752 -0.814 -6.661) 6.752 1.846 ( 5.022 0.321 6.559) 8.267 1.994 ( -1.693 4.981 -7.290) 8.990 2.146 ( -0.580 -0.200 3.902) 3.950 2.224 ( 3.420 4.714 -2.858) 6.487 2.234 ( -5.241 4.570 0.289) 6.960 2.334 ( 8.274 0.405 -7.253) 11.011 2.379 ( -6.843 -5.440 5.394) 10.272 2.456 ( 2.197 -1.442 -2.709) 3.775 2.553 ( -4.253 3.185 3.665) 6.455 2.593 ( 3.993 -0.093 0.585) 4.037 2.668 ( 0.328 1.459 1.797) 2.337 2.732 ( 0.406 1.482 -4.151) 4.427 3.141 ( -4.240 4.448 5.483) 8.236 3.193 ( 4.530 -0.212 -0.633) 4.579 3.346 ( -0.562 1.801 4.446) 4.830 3.418 ( -0.253 0.328 -1.897) 1.942 3.478 ( -1.903 -7.518 2.076) 8.028 3.519 ( -0.040 -2.760 -0.281) 2.774 3.826 ( -0.907 -2.961 4.139) 5.170 3.868 ( -0.675 -1.701 1.489) 2.359 3.944 ( 2.362 -2.874 2.767) 4.636 4.018 ( -1.225 -0.947 -2.144) 2.645 4.127 ( 1.750 2.206 1.354) 3.124 4.174 ( -3.158 -0.063 -2.487) 4.020 4.234 ( -2.554 1.382 1.259) 3.165 4.271 ( 2.459 -1.560 -2.476) 3.822 4.351 ( 1.032 -0.394 2.179) 2.443 4.443 ( 1.742 -1.500 -4.696) 5.229 4.527 ( -1.861 0.863 2.663) 3.362 4.630 ( 1.534 1.849 -6.916) 7.321 4.739 ( 2.475 3.864 5.133) 6.885 4.800 ( -3.254 0.818 0.609) 3.410 4.969 ( 2.339 -0.208 -1.296) 2.682 5.054 ( -0.875 0.037 -7.719) 7.768 5.378 ( 0.749 4.078 1.037) 4.274 5.406 ( -0.667 3.689 -1.828) 4.171 5.618 ( -0.635 -2.513 3.632) 4.462 5.671 ( 0.261 -4.027 -1.525) 4.314 5.871 ( 0.835 -4.345 1.247) 4.597 5.888 ( 0.397 -0.288 -1.457) 1.537 6.016 ( -0.160 -3.685 4.001) 5.441 6.109 ( -0.678 -5.909 -3.965) 7.149 6.232 ( -1.209 4.194 2.822) 5.197 6.263 ( -0.117 4.223 2.238) 4.780 6.399 ( 0.495 -0.402 -2.254) 2.342 6.423 ( 0.713 -2.275 -3.433) 4.179 6.896 ( -0.238 -3.441 4.554) 5.713 6.986 ( 0.147 -3.670 -4.689) 5.956 7.221 ( -1.059 4.755 2.410) 5.435 7.250 ( 1.529 3.314 -0.702) 3.717 7.494 ( -2.527 0.758 1.289) 2.936 7.553 ( 2.424 1.809 -4.707) 5.595 7.852 ( 3.228 0.245 -0.621) 3.297 7.860 ( -2.902 0.765 -1.493) 3.352 8.240 ( 0.902 0.489 2.987) 3.159 8.300 ( -2.100 -0.475 -2.971) 3.669 8.461 ( 0.848 -1.898 5.470) 5.851 8.532 ( -0.637 -2.708 -1.514) 3.167 8.564 ( -1.426 2.009 5.267) 5.814 8.643 ( 1.797 3.269 -2.670) 4.588 8.665 ( 0.812 -0.015 2.379) 2.514 8.714 ( -1.067 -0.183 -2.644) 2.856 11.831 ( 0.327 -1.312 1.676) 2.153 11.863 ( -0.538 -0.330 -1.276) 1.423 11.906 ( -0.529 0.926 0.917) 1.406 11.933 ( 0.755 1.057 -1.406) 1.914 15.339 ( 1.198 -2.527 3.042) 4.132 15.383 ( -1.695 -0.163 -1.205) 2.086 15.528 ( 0.308 -0.507 1.056) 1.212 15.563 ( 0.351 1.261 -2.044) 2.427 15.757 ( -1.201 0.539 4.755) 4.934 15.789 ( -0.309 0.635 2.462) 2.562 15.872 ( 0.778 0.709 -3.252) 3.418 15.906 ( 0.495 0.477 -5.265) 5.309 16.221 ( -0.357 0.813 2.536) 2.687 16.268 ( 0.511 1.568 -2.244) 2.785 16.419 ( -0.339 -2.019 1.539) 2.561 16.435 ( 0.048 -3.662 -0.177) 3.666 ======================= Grid point 120 (62/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.026 0.969 0.451) 1.069 1.064 ( 1.056 1.620 -1.130) 2.240 1.499 ( -1.386 11.324 6.167) 12.969 1.535 ( -3.906 7.936 -6.455) 10.950 1.592 ( 2.570 9.149 9.955) 13.763 1.783 ( 0.932 -2.845 -2.171) 3.698 1.860 ( 5.243 7.142 -7.146) 11.382 1.887 ( 3.727 -2.120 -4.505) 6.219 2.112 ( -7.490 -1.620 0.146) 7.664 2.163 ( -3.040 -0.457 -0.876) 3.196 2.263 ( 2.357 -6.770 0.292) 7.174 2.386 ( -7.360 -1.066 1.356) 7.559 2.443 ( 4.361 -3.078 -0.378) 5.351 2.477 ( 3.854 -3.781 -2.454) 5.931 2.563 ( 0.479 -2.577 2.071) 3.341 2.617 ( 2.512 -0.227 -0.629) 2.600 2.715 ( 0.568 -1.848 3.802) 4.265 2.750 ( -1.028 -4.422 -2.041) 4.977 3.000 ( -2.225 5.962 9.411) 11.360 3.214 ( 3.752 2.744 -3.540) 5.843 3.272 ( -0.169 5.256 4.385) 6.847 3.362 ( 0.258 4.792 -4.082) 6.300 3.504 ( -5.033 0.547 4.255) 6.614 3.587 ( 1.495 -1.537 0.734) 2.266 3.875 ( -0.455 -0.359 3.532) 3.579 3.894 ( -1.466 -2.756 0.547) 3.169 4.005 ( 3.185 0.812 2.503) 4.131 4.026 ( -0.892 -2.039 -4.305) 4.846 4.116 ( 2.374 1.376 5.448) 6.100 4.155 ( -3.633 -1.435 -4.628) 6.056 4.199 ( 0.165 1.085 0.783) 1.349 4.283 ( 1.525 2.205 -4.067) 4.871 4.381 ( -1.264 -2.410 3.650) 4.553 4.448 ( -1.136 2.107 0.954) 2.576 4.498 ( -0.980 0.078 -1.228) 1.573 4.618 ( 2.953 -0.932 -8.935) 9.456 4.680 ( -0.300 2.832 4.683) 5.481 4.799 ( 1.301 -1.007 -3.323) 3.708 4.971 ( -1.920 -0.515 0.434) 2.035 5.066 ( 1.867 -0.912 -3.979) 4.489 5.304 ( 0.188 3.861 1.387) 4.107 5.332 ( 0.312 3.474 -2.293) 4.174 5.667 ( -0.053 -1.924 4.024) 4.460 5.740 ( 0.623 -3.052 -2.648) 4.089 5.883 ( -4.345 -3.204 0.430) 5.416 5.936 ( 1.189 0.946 0.004) 1.519 6.087 ( -0.854 -2.378 4.356) 5.036 6.174 ( 1.060 3.912 -1.834) 4.449 6.200 ( -0.643 -4.040 3.149) 5.162 6.245 ( -0.005 -6.575 -2.413) 7.003 6.373 ( -0.452 2.737 0.169) 2.779 6.459 ( 1.636 -0.019 -4.165) 4.475 6.971 ( -1.227 -3.355 4.275) 5.571 7.054 ( 0.425 -4.298 -3.621) 5.637 7.134 ( -3.840 1.510 0.471) 4.153 7.228 ( 5.355 1.938 0.789) 5.749 7.471 ( -3.158 -1.223 -1.735) 3.805 7.567 ( 3.757 -0.054 -2.981) 4.796 7.798 ( -4.140 0.817 0.286) 4.229 7.897 ( 4.611 -0.106 -1.368) 4.811 8.235 ( 0.508 1.006 2.679) 2.906 8.263 ( -0.536 2.805 -1.792) 3.371 8.485 ( -2.465 -0.756 4.941) 5.573 8.505 ( -3.896 0.414 2.267) 4.527 8.596 ( 2.650 0.055 1.125) 2.879 8.604 ( 0.918 0.288 -2.480) 2.660 8.678 ( 0.715 0.062 2.163) 2.279 8.713 ( 0.046 -0.826 -2.170) 2.322 11.829 ( -1.079 1.160 1.119) 1.940 11.871 ( 1.424 0.328 -0.558) 1.564 11.903 ( 0.240 -0.666 1.536) 1.691 11.929 ( -0.540 -0.964 -2.199) 2.461 15.344 ( -1.348 2.406 1.893) 3.345 15.393 ( 1.532 -0.964 -0.315) 1.837 15.531 ( 0.267 1.190 1.047) 1.607 15.555 ( -0.418 -1.627 -2.378) 2.912 15.741 ( -1.599 0.253 5.192) 5.438 15.794 ( 0.064 -0.616 3.866) 3.915 15.866 ( 0.697 0.243 -3.808) 3.878 15.899 ( 0.952 0.237 -6.027) 6.106 16.202 ( 0.512 1.525 1.327) 2.085 16.229 ( 0.393 2.641 -1.680) 3.155 16.463 ( -1.850 -4.061 3.973) 5.975 16.527 ( -0.279 -5.605 -1.784) 5.889 ======================= Grid point 124 (63/72) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.031 -0.000 0.285) 0.287 1.032 ( 0.299 -0.000 -1.295) 1.329 1.438 ( 7.130 -0.000 5.215) 8.833 1.486 ( 1.115 -0.000 0.251) 1.143 1.714 ( 5.310 -0.000 -4.828) 7.177 1.781 ( 2.848 -0.000 4.609) 5.418 1.941 ( 1.096 -0.000 -6.960) 7.046 1.947 ( -9.531 0.000 2.895) 9.961 2.041 ( -2.789 0.000 18.052) 18.267 2.162 ( 12.311 -0.000 -4.503) 13.109 2.281 ( 3.440 -0.000 4.873) 5.965 2.360 ( -1.946 0.000 -0.966) 2.172 2.421 ( 0.558 -0.000 0.934) 1.088 2.570 ( -6.390 0.000 -1.359) 6.533 2.685 ( -5.959 0.000 4.686) 7.581 2.842 ( -0.049 0.000 -11.362) 11.362 2.906 ( 1.905 -0.000 5.676) 5.987 2.994 ( -0.398 0.000 -4.049) 4.068 3.050 ( 1.909 -0.000 -0.205) 1.920 3.092 ( -5.314 0.000 0.963) 5.400 3.097 ( 4.198 -0.000 -5.389) 6.831 3.124 ( -1.762 0.000 -1.585) 2.370 3.352 ( 2.251 -0.000 1.617) 2.772 3.402 ( 2.662 -0.000 -3.700) 4.558 3.767 ( -2.939 0.000 8.593) 9.082 3.911 ( -3.749 0.000 -5.460) 6.623 3.995 ( -0.555 0.000 6.132) 6.157 4.077 ( -0.558 0.000 -0.154) 0.578 4.078 ( 3.248 -0.000 -4.073) 5.209 4.161 ( 0.204 -0.000 -7.461) 7.463 4.225 ( 3.259 -0.000 3.531) 4.805 4.258 ( 0.800 -0.000 5.655) 5.712 4.377 ( 0.000 -0.000 -1.994) 1.994 4.383 ( 1.518 -0.000 -1.045) 1.843 4.492 ( -1.835 0.000 4.016) 4.415 4.573 ( 0.841 -0.000 -6.978) 7.029 4.813 ( -4.835 0.000 10.150) 11.242 4.848 ( 6.066 -0.000 -6.557) 8.933 4.920 ( 0.162 -0.000 6.074) 6.076 5.153 ( 0.311 -0.000 -11.111) 11.116 5.393 ( 8.912 -0.000 -0.440) 8.923 5.458 ( 5.946 -0.000 0.454) 5.963 5.580 ( -8.821 0.000 -0.062) 8.822 5.597 ( -6.404 0.000 -0.296) 6.411 5.779 ( -4.674 0.000 5.611) 7.303 5.846 ( 1.049 -0.000 -5.255) 5.359 5.959 ( -1.776 0.000 5.392) 5.677 6.065 ( -0.055 0.000 -4.785) 4.785 6.206 ( -0.606 0.000 4.605) 4.645 6.223 ( -0.148 0.000 0.397) 0.423 6.455 ( -3.722 0.000 3.806) 5.324 6.540 ( 1.851 -0.000 -7.915) 8.129 6.850 ( -1.122 0.000 -0.588) 1.267 6.859 ( -1.645 0.000 0.036) 1.646 7.300 ( -1.414 0.000 0.845) 1.647 7.352 ( -0.647 0.000 -4.476) 4.522 7.687 ( 5.314 -0.000 -1.086) 5.423 7.719 ( 1.106 -0.000 -0.047) 1.107 7.849 ( -1.318 0.000 3.984) 4.197 7.935 ( -1.674 0.000 -3.676) 4.040 8.165 ( 4.753 -0.000 -4.237) 6.367 8.186 ( -4.567 0.000 2.618) 5.264 8.380 ( 2.690 -0.000 5.809) 6.402 8.495 ( -2.721 0.000 1.243) 2.992 8.586 ( 2.142 -0.000 2.417) 3.230 8.638 ( -0.726 0.000 6.388) 6.430 8.745 ( 0.079 -0.000 -4.290) 4.291 8.793 ( 1.021 -0.000 -4.555) 4.668 11.776 ( 0.716 -0.000 1.503) 1.665 11.835 ( -0.682 0.000 -2.341) 2.438 11.969 ( -1.004 0.000 1.923) 2.170 11.975 ( 1.012 -0.000 -0.690) 1.224 15.238 ( 0.875 -0.000 0.907) 1.261 15.264 ( -0.727 0.000 0.478) 0.870 15.557 ( -1.347 0.000 2.417) 2.767 15.597 ( 0.202 -0.000 -1.699) 1.711 15.774 ( -0.044 0.000 4.676) 4.676 15.865 ( 0.981 -0.000 -4.074) 4.191 15.920 ( 1.067 -0.000 -1.558) 1.888 15.950 ( 0.414 -0.000 -2.540) 2.573 16.169 ( 4.962 -0.000 2.894) 5.744 16.257 ( 0.974 -0.000 0.576) 1.131 16.392 ( -6.727 0.000 4.553) 8.123 16.451 ( -4.650 0.000 -3.925) 6.085 ======================= Grid point 125 (64/72) ======================= q-point: (-0.43 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.688 -1.065 0.783) 1.490 1.041 ( -0.284 -0.972 -1.742) 2.015 1.467 ( 2.106 0.911 2.322) 3.265 1.485 ( -4.917 -0.859 2.495) 5.581 1.757 ( -10.959 -0.009 2.642) 11.273 1.776 ( 10.346 0.160 -1.528) 10.460 1.872 ( -1.059 -0.983 3.848) 4.111 1.955 ( 0.537 -0.005 -5.946) 5.970 2.103 ( -3.945 -5.268 12.922) 14.501 2.273 ( 4.225 -1.380 -2.200) 4.960 2.315 ( 6.055 0.827 -1.251) 6.238 2.321 ( 4.403 3.307 -3.664) 6.614 2.432 ( 2.291 -0.565 2.769) 3.638 2.477 ( -6.241 3.195 -1.672) 7.207 2.624 ( -5.717 0.998 6.388) 8.630 2.783 ( 0.004 4.716 -5.859) 7.521 2.868 ( -2.234 4.945 3.182) 6.290 2.940 ( 1.654 6.422 -4.139) 7.817 3.099 ( -1.011 -4.916 -0.318) 5.029 3.115 ( -0.501 -3.625 3.812) 5.284 3.150 ( -2.861 -4.805 -1.697) 5.844 3.175 ( 4.610 -5.609 -3.855) 8.220 3.371 ( 0.972 -0.842 1.011) 1.636 3.439 ( 0.507 -2.163 -4.526) 5.042 3.769 ( -1.235 -1.061 8.297) 8.455 3.870 ( -1.109 1.344 -2.001) 2.653 3.988 ( 0.081 0.402 1.104) 1.178 3.995 ( -2.183 5.149 -0.307) 5.601 4.125 ( 1.569 -1.880 -0.508) 2.501 4.172 ( -1.666 -2.026 -5.077) 5.714 4.228 ( 0.488 1.158 5.750) 5.885 4.293 ( 0.671 0.229 -1.192) 1.387 4.357 ( 1.095 0.133 2.422) 2.661 4.425 ( 1.766 -0.753 -4.257) 4.670 4.497 ( -0.230 -1.669 2.828) 3.292 4.599 ( 2.024 -2.080 -6.647) 7.253 4.774 ( -4.701 0.258 8.502) 9.718 4.885 ( 3.070 1.165 -2.696) 4.249 4.939 ( 1.724 -0.872 3.610) 4.094 5.121 ( -0.158 2.007 -11.553) 11.728 5.455 ( -4.401 0.452 0.686) 4.477 5.483 ( 6.804 0.107 -1.007) 6.879 5.541 ( 0.339 -1.078 0.689) 1.323 5.560 ( -3.701 -0.945 -0.987) 3.946 5.763 ( -0.751 -1.402 5.251) 5.487 5.869 ( 2.744 -0.762 -5.142) 5.878 5.956 ( -0.343 -0.142 4.261) 4.277 6.036 ( -0.217 1.607 -3.522) 3.877 6.248 ( -0.306 -3.773 3.055) 4.864 6.251 ( -0.628 -2.597 1.801) 3.222 6.402 ( -2.816 2.636 3.534) 5.232 6.513 ( 2.252 3.644 -6.639) 7.901 6.845 ( 0.214 0.019 1.052) 1.074 6.873 ( -0.444 -2.287 -1.700) 2.884 7.300 ( 0.966 -0.442 0.864) 1.369 7.338 ( -0.999 0.856 -3.212) 3.471 7.649 ( -0.955 5.717 1.694) 6.039 7.682 ( -0.144 3.852 -1.909) 4.302 7.850 ( 2.367 0.017 2.510) 3.450 7.905 ( -2.455 0.899 -2.823) 3.848 8.181 ( -4.241 -2.720 1.198) 5.178 8.229 ( 5.123 -2.019 -3.383) 6.463 8.414 ( 2.060 -0.574 5.785) 6.168 8.476 ( -2.043 -0.419 0.193) 2.094 8.605 ( 0.776 0.139 4.710) 4.775 8.643 ( -1.411 -0.887 3.997) 4.331 8.732 ( 0.441 1.021 -3.910) 4.065 8.769 ( 0.403 2.429 -4.455) 5.090 11.791 ( 0.868 -0.580 1.679) 1.978 11.831 ( -0.879 -0.653 -2.474) 2.706 11.952 ( -1.113 0.928 1.842) 2.343 11.978 ( 1.126 0.735 -0.789) 1.559 15.253 ( 0.571 -1.201 2.422) 2.763 15.294 ( -0.498 -3.064 -1.724) 3.551 15.544 ( -0.866 0.729 3.394) 3.578 15.596 ( 0.546 0.196 -1.942) 2.027 15.775 ( -0.478 0.322 4.497) 4.533 15.849 ( 0.088 1.766 -2.447) 3.018 15.913 ( 0.669 1.212 -1.574) 2.096 15.936 ( -0.149 0.889 -3.519) 3.632 16.222 ( 2.465 -0.247 3.034) 3.917 16.263 ( -0.857 -1.272 -1.245) 1.976 16.351 ( -3.279 -0.556 4.530) 5.620 16.424 ( 1.256 0.658 -3.032) 3.347 ======================= Grid point 126 (65/72) ======================= q-point: (-0.29 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.615 -0.865 1.445) 1.793 1.055 ( -0.978 -1.255 -1.075) 1.920 1.414 ( -10.821 -3.067 5.627) 12.577 1.529 ( 0.344 -3.490 3.917) 5.257 1.673 ( -6.496 -1.810 -5.150) 8.485 1.870 ( 0.704 0.737 9.858) 9.910 1.899 ( 11.885 2.141 -5.519) 13.278 1.959 ( -3.496 -3.387 -4.535) 6.653 2.139 ( -6.552 -2.069 2.567) 7.334 2.200 ( -6.969 1.676 -0.421) 7.180 2.300 ( -2.118 3.440 0.341) 4.054 2.372 ( 2.184 4.608 -3.479) 6.173 2.404 ( 9.295 -0.234 -1.736) 9.458 2.493 ( 6.647 0.984 -2.860) 7.303 2.599 ( -1.078 -0.563 6.790) 6.898 2.642 ( -0.594 6.682 2.874) 7.298 2.769 ( -0.591 4.538 -2.687) 5.307 2.807 ( 2.394 7.610 -2.607) 8.393 3.122 ( -6.782 -2.058 0.614) 7.114 3.207 ( 2.829 -2.538 2.938) 4.804 3.220 ( -7.294 -7.407 1.023) 10.445 3.353 ( 3.890 -8.032 1.994) 9.144 3.413 ( 0.794 -2.193 -0.253) 2.346 3.461 ( -1.143 -1.251 -3.789) 4.150 3.797 ( 1.366 -0.940 5.945) 6.172 3.853 ( 1.346 -0.155 1.127) 1.763 3.924 ( -0.402 0.276 1.039) 1.147 3.989 ( -0.205 -0.550 -1.446) 1.560 4.152 ( -1.070 0.793 0.606) 1.463 4.180 ( -1.604 -1.777 -2.270) 3.299 4.218 ( -0.337 0.607 3.476) 3.545 4.274 ( 1.071 0.553 -1.782) 2.151 4.376 ( 2.383 0.639 1.060) 2.686 4.429 ( 1.029 -0.092 -5.721) 5.814 4.526 ( -1.452 -0.508 2.639) 3.055 4.643 ( 1.113 -0.681 -6.342) 6.475 4.756 ( -3.071 -1.587 5.768) 6.725 4.847 ( 0.872 4.151 3.222) 5.327 4.989 ( 3.328 -1.114 -0.862) 3.614 5.053 ( -1.272 2.672 -10.701) 11.102 5.392 ( -6.183 0.214 0.218) 6.190 5.463 ( -2.995 2.172 -1.833) 4.129 5.585 ( 3.636 -1.992 1.123) 4.295 5.626 ( 5.659 -2.075 2.597) 6.563 5.793 ( -3.248 -1.887 0.407) 3.778 5.911 ( 5.254 -0.982 -3.218) 6.239 5.980 ( 1.640 -1.317 3.143) 3.782 6.029 ( 0.463 -1.851 -2.951) 3.514 6.264 ( -3.759 0.877 4.763) 6.130 6.313 ( -0.058 -0.291 5.548) 5.556 6.362 ( 0.730 -2.366 -1.793) 3.057 6.447 ( 2.115 4.283 -6.485) 8.054 6.859 ( 0.348 -1.265 2.948) 3.227 6.925 ( 1.612 -3.051 -3.296) 4.772 7.279 ( -2.237 3.840 -0.551) 4.478 7.325 ( 3.238 0.753 0.127) 3.327 7.526 ( -2.896 5.072 2.615) 6.399 7.606 ( 0.221 2.728 -3.246) 4.246 7.847 ( -3.458 1.933 -2.710) 4.800 7.888 ( 3.804 -0.360 0.370) 3.839 8.197 ( -4.149 -2.941 0.967) 5.176 8.297 ( 4.087 -0.718 -0.836) 4.233 8.438 ( -1.480 -0.672 3.648) 3.993 8.492 ( 1.135 -2.033 0.455) 2.373 8.586 ( -2.808 1.853 5.677) 6.599 8.659 ( -0.323 -1.134 1.515) 1.919 8.707 ( 0.378 1.746 -3.377) 3.821 8.722 ( 1.233 2.132 -2.869) 3.781 11.816 ( 0.775 -1.017 1.849) 2.248 11.837 ( -0.675 -1.150 -2.281) 2.642 11.923 ( -1.103 1.319 1.646) 2.380 11.966 ( 0.972 1.437 -1.181) 2.099 15.299 ( 0.303 -2.748 2.998) 4.078 15.345 ( 0.068 -2.684 -2.861) 3.924 15.527 ( -0.763 0.624 3.413) 3.552 15.591 ( 0.985 0.912 -2.284) 2.649 15.763 ( -1.245 0.727 4.247) 4.485 15.809 ( -0.594 1.703 1.064) 2.094 15.892 ( 0.304 1.199 -2.253) 2.570 15.916 ( 0.303 0.747 -4.702) 4.770 16.223 ( -1.752 -0.293 2.292) 2.900 16.270 ( -1.572 -0.377 -1.801) 2.420 16.385 ( 2.270 -2.273 2.891) 4.321 16.428 ( 3.255 1.258 -1.169) 3.680 ======================= Grid point 127 (66/72) ======================= q-point: (-0.14 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.031 0.426 1.397) 1.461 1.070 ( -0.317 -1.197 -1.319) 1.809 1.453 ( -7.448 -8.360 3.966) 11.878 1.603 ( 0.138 -1.786 6.790) 7.022 1.653 ( -3.087 -0.518 -2.809) 4.205 1.823 ( 3.997 4.281 2.833) 6.506 1.963 ( 3.487 1.939 -1.781) 4.369 1.969 ( 1.000 1.791 -8.952) 9.184 2.039 ( -4.018 1.762 -0.302) 4.398 2.169 ( -3.105 -0.548 -3.143) 4.452 2.205 ( -6.474 2.573 -0.951) 7.031 2.279 ( -1.852 0.842 -0.954) 2.247 2.481 ( 4.293 2.600 3.671) 6.218 2.505 ( 6.180 1.367 -0.909) 6.394 2.542 ( 2.046 -1.116 1.281) 2.660 2.669 ( -0.472 3.981 -1.122) 4.163 2.686 ( 1.219 -1.974 1.532) 2.781 2.750 ( 3.637 2.311 -2.096) 4.792 3.051 ( -4.479 3.183 0.498) 5.517 3.263 ( 2.164 -1.000 1.468) 2.799 3.284 ( -8.002 -6.048 6.671) 12.046 3.415 ( 0.978 2.069 -0.726) 2.401 3.450 ( -0.850 -0.222 1.690) 1.905 3.530 ( 0.877 -5.702 0.867) 5.834 3.837 ( 1.216 -0.867 4.213) 4.470 3.882 ( -0.430 -0.786 3.797) 3.901 3.962 ( 0.715 -3.084 -4.271) 5.316 4.014 ( 0.648 -2.456 0.946) 2.711 4.117 ( -0.704 1.049 0.143) 1.271 4.171 ( -0.477 1.551 1.042) 1.928 4.220 ( 1.983 0.065 0.991) 2.218 4.294 ( 0.546 -1.079 -2.331) 2.626 4.373 ( 1.182 0.982 -0.016) 1.537 4.464 ( 2.377 -2.722 -4.543) 5.805 4.482 ( -3.430 2.879 3.286) 5.555 4.621 ( -1.576 0.950 -5.550) 5.847 4.742 ( -1.664 2.599 -2.250) 3.820 4.814 ( 2.904 0.787 6.775) 7.413 4.964 ( -1.560 2.257 -6.018) 6.614 5.054 ( 2.026 -1.703 -3.528) 4.410 5.338 ( -3.169 1.061 0.485) 3.377 5.400 ( -0.722 2.418 -0.810) 2.650 5.651 ( 2.527 -1.681 2.223) 3.761 5.701 ( 3.028 -1.198 -0.141) 3.259 5.780 ( -5.168 -2.016 -0.776) 5.601 5.970 ( 3.242 0.149 -0.852) 3.355 6.035 ( 1.396 -3.234 2.552) 4.349 6.112 ( 1.940 -5.685 -1.992) 6.329 6.187 ( -3.573 2.501 4.193) 6.050 6.278 ( 0.365 4.612 1.617) 4.901 6.401 ( 0.662 0.981 -4.547) 4.698 6.438 ( 1.057 -2.910 -1.295) 3.356 6.914 ( 1.272 -3.408 3.932) 5.357 6.991 ( 1.290 -2.607 -3.589) 4.620 7.163 ( -3.377 5.131 0.452) 6.159 7.316 ( 3.146 2.737 0.426) 4.192 7.443 ( -2.195 1.245 -0.798) 2.647 7.595 ( 2.261 0.243 -2.498) 3.378 7.779 ( -3.343 1.193 -1.243) 3.761 7.927 ( 3.054 -0.411 -0.677) 3.155 8.211 ( -3.047 -1.882 0.630) 3.636 8.323 ( 3.475 1.611 1.669) 4.178 8.436 ( -3.067 -1.263 1.547) 3.660 8.499 ( -3.595 1.698 2.520) 4.707 8.573 ( 2.096 -2.195 1.932) 3.598 8.663 ( -0.185 2.558 -2.341) 3.472 8.672 ( -0.653 -0.434 0.573) 0.971 8.717 ( 1.954 0.220 -0.332) 1.995 11.835 ( -0.163 -0.117 0.845) 0.869 11.861 ( 0.435 -1.713 -0.151) 1.774 11.896 ( -0.860 0.390 0.786) 1.229 11.941 ( 0.586 1.748 -1.580) 2.428 15.349 ( -0.944 -1.497 -0.109) 1.774 15.379 ( 1.284 -1.161 2.370) 2.935 15.523 ( -0.811 -0.809 -0.286) 1.181 15.570 ( 0.912 1.974 -1.673) 2.743 15.742 ( -1.252 0.571 4.398) 4.608 15.791 ( -0.377 0.096 3.509) 3.530 15.872 ( 0.048 0.655 -3.054) 3.124 15.905 ( 0.883 0.286 -5.361) 5.441 16.220 ( -0.424 -0.164 1.905) 1.959 16.255 ( -1.094 0.341 -1.574) 1.947 16.428 ( 1.219 0.571 0.741) 1.537 16.452 ( 1.490 -2.450 0.463) 2.905 ======================= Grid point 132 (67/72) ======================= q-point: (-0.43 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 1.344 -0.000 0.310) 1.379 1.029 ( -0.395 0.000 -2.383) 2.416 1.449 ( -7.376 0.000 5.028) 8.926 1.467 ( -2.666 0.000 0.554) 2.723 1.674 ( -11.861 0.000 3.621) 12.402 1.779 ( -3.796 0.000 -0.110) 3.798 1.860 ( 5.654 -0.000 0.724) 5.701 2.003 ( 0.520 -0.000 2.507) 2.561 2.056 ( 3.047 -0.000 2.052) 3.673 2.267 ( -1.556 0.000 -4.512) 4.773 2.371 ( 3.674 -0.000 -0.973) 3.801 2.388 ( -5.505 0.000 17.043) 17.910 2.395 ( 2.918 -0.000 -4.053) 4.994 2.465 ( 0.768 -0.000 -3.881) 3.956 2.618 ( 0.233 -0.000 4.102) 4.108 2.804 ( -1.493 0.000 -5.384) 5.587 2.923 ( -2.735 0.000 7.201) 7.703 2.989 ( 1.254 -0.000 -4.107) 4.295 3.025 ( -0.827 0.000 -1.999) 2.163 3.082 ( -1.799 0.000 -3.620) 4.042 3.121 ( 4.200 -0.000 0.948) 4.306 3.154 ( 3.091 -0.000 -4.259) 5.262 3.383 ( 0.616 -0.000 -0.218) 0.653 3.400 ( -1.508 0.000 -4.522) 4.767 3.766 ( 0.513 -0.000 9.762) 9.775 3.873 ( 0.640 -0.000 -2.440) 2.523 3.976 ( -3.674 0.000 5.839) 6.899 4.057 ( -1.175 0.000 2.157) 2.457 4.102 ( -1.409 0.000 -3.318) 3.605 4.114 ( -1.795 0.000 -5.564) 5.847 4.268 ( 0.309 -0.000 -1.306) 1.342 4.299 ( 3.708 -0.000 5.023) 6.243 4.383 ( 0.699 -0.000 -2.253) 2.359 4.384 ( -0.168 0.000 -1.518) 1.528 4.482 ( -0.827 0.000 0.152) 0.841 4.605 ( 4.143 -0.000 -6.904) 8.051 4.731 ( -6.432 0.000 6.742) 9.318 4.930 ( 4.163 -0.000 -4.674) 6.260 4.945 ( 0.397 -0.000 8.628) 8.637 5.129 ( 0.451 -0.000 -12.588) 12.596 5.383 ( -8.392 0.000 -0.219) 8.395 5.476 ( -6.662 0.000 -1.282) 6.784 5.567 ( 9.182 -0.000 1.918) 9.381 5.600 ( 6.326 -0.000 -0.106) 6.327 5.740 ( -0.196 0.000 4.833) 4.837 5.892 ( 4.423 -0.000 -5.661) 7.184 5.968 ( 1.404 -0.000 5.233) 5.418 6.059 ( 0.889 -0.000 -4.926) 5.006 6.200 ( -1.285 0.000 3.877) 4.085 6.231 ( 0.851 -0.000 1.059) 1.359 6.404 ( -2.952 0.000 5.290) 6.058 6.564 ( 2.733 -0.000 -6.849) 7.374 6.849 ( 0.670 -0.000 -0.202) 0.700 6.856 ( 1.596 -0.000 0.189) 1.607 7.299 ( 0.897 -0.000 1.277) 1.561 7.342 ( 0.687 -0.000 -3.905) 3.965 7.675 ( -4.765 0.000 0.492) 4.791 7.723 ( -2.411 0.000 -0.889) 2.569 7.856 ( 0.152 -0.000 4.160) 4.163 7.897 ( -0.506 0.000 -0.353) 0.617 8.128 ( -2.152 0.000 -0.994) 2.370 8.257 ( 6.078 -0.000 -4.186) 7.379 8.434 ( 1.741 -0.000 6.017) 6.264 8.451 ( -2.510 0.000 -0.887) 2.662 8.617 ( -2.720 0.000 3.561) 4.481 8.622 ( 1.260 -0.000 4.227) 4.410 8.744 ( 0.540 -0.000 -2.303) 2.365 8.785 ( -0.523 0.000 -5.277) 5.303 11.796 ( 0.935 -0.000 1.691) 1.932 11.814 ( -0.809 0.000 -2.422) 2.553 11.952 ( -1.289 0.000 1.711) 2.142 11.994 ( 1.107 -0.000 -0.664) 1.291 15.248 ( -1.000 0.000 -0.011) 1.000 15.258 ( 0.979 -0.000 1.004) 1.402 15.549 ( -0.416 0.000 3.177) 3.204 15.598 ( 0.475 -0.000 -1.739) 1.803 15.779 ( -0.690 0.000 4.501) 4.554 15.864 ( 0.048 -0.000 -4.389) 4.390 15.930 ( 0.286 -0.000 -0.656) 0.716 15.933 ( -1.279 0.000 -2.867) 3.140 16.208 ( -4.864 0.000 -1.192) 5.008 16.253 ( -0.182 0.000 1.141) 1.155 16.347 ( 3.941 -0.000 6.983) 8.018 16.462 ( 5.558 -0.000 -2.816) 6.231 ======================= Grid point 133 (68/72) ======================= q-point: (-0.29 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -1.320 -0.670 -1.029) 1.803 1.040 ( 1.410 -0.821 0.439) 1.690 1.296 ( -15.502 3.417 9.138) 18.316 1.494 ( -1.699 -3.031 5.017) 6.103 1.556 ( -9.285 -0.954 -4.618) 10.413 1.777 ( -7.709 -4.881 -1.417) 9.233 1.948 ( 7.262 -1.326 2.347) 7.747 1.971 ( -5.731 -0.441 2.852) 6.416 2.095 ( 6.857 1.373 -3.553) 7.844 2.202 ( -5.398 3.310 -4.305) 7.657 2.347 ( -1.390 3.140 4.505) 5.664 2.409 ( 4.543 0.435 -3.993) 6.064 2.464 ( -2.419 -7.657 15.673) 17.611 2.526 ( 7.906 -2.241 -2.853) 8.699 2.602 ( 3.152 3.730 0.314) 4.893 2.755 ( -1.792 3.873 -3.067) 5.255 2.829 ( -2.739 5.662 4.254) 7.593 2.952 ( -0.758 6.111 -2.043) 6.487 3.013 ( -1.992 -0.847 -0.822) 2.316 3.097 ( -1.569 -2.909 -5.769) 6.649 3.184 ( 1.912 -2.717 1.302) 3.568 3.237 ( 2.229 -6.642 -0.155) 7.008 3.364 ( -1.974 -1.118 -1.029) 2.491 3.421 ( -0.925 -2.500 -4.493) 5.224 3.803 ( 2.023 -1.350 10.055) 10.345 3.882 ( 2.162 0.638 0.974) 2.456 3.939 ( -1.001 1.174 -0.517) 1.627 4.006 ( -0.094 2.397 1.984) 3.113 4.091 ( -4.526 -2.427 -3.923) 6.463 4.138 ( -0.759 -2.060 0.681) 2.299 4.245 ( 0.491 1.638 -0.366) 1.749 4.303 ( 0.025 2.181 -0.728) 2.299 4.392 ( 2.589 -1.129 2.697) 3.905 4.430 ( 0.436 -1.676 -6.133) 6.373 4.486 ( -1.290 -1.667 -0.839) 2.269 4.633 ( 1.007 0.048 -3.667) 3.803 4.697 ( -3.335 -1.812 2.360) 4.469 4.925 ( 1.286 2.541 4.707) 5.501 4.984 ( 1.969 -1.684 0.949) 2.759 5.090 ( -0.109 2.853 -11.581) 11.928 5.322 ( -6.272 -0.795 -0.587) 6.350 5.416 ( -6.274 -0.185 -1.893) 6.556 5.641 ( 7.225 0.531 2.924) 7.812 5.667 ( 6.356 -0.748 2.807) 6.988 5.757 ( 0.379 -0.112 1.187) 1.251 5.931 ( 3.950 -0.895 -5.653) 6.954 5.993 ( 2.994 0.021 3.156) 4.351 6.040 ( 2.047 1.383 -2.312) 3.384 6.243 ( -0.184 -1.938 1.498) 2.457 6.253 ( -0.333 -3.177 3.877) 5.024 6.371 ( -1.661 1.602 4.309) 4.888 6.544 ( 2.729 3.812 -5.856) 7.502 6.859 ( 1.517 0.056 0.189) 1.530 6.898 ( 3.161 -2.128 -0.299) 3.823 7.313 ( 0.215 1.062 -2.036) 2.307 7.347 ( 2.272 -0.616 0.762) 2.475 7.589 ( -5.272 4.262 2.110) 7.100 7.641 ( -3.614 2.950 -1.578) 4.925 7.854 ( -1.969 1.426 -0.556) 2.494 7.909 ( 2.415 -0.685 1.452) 2.900 8.117 ( -2.793 -1.364 -0.887) 3.233 8.322 ( 5.443 -1.285 -2.272) 6.037 8.419 ( -2.871 0.203 -0.101) 2.880 8.472 ( 0.823 -1.502 4.127) 4.468 8.591 ( -2.678 0.687 3.564) 4.510 8.645 ( 0.965 -0.444 3.452) 3.612 8.731 ( -0.113 1.356 -2.879) 3.184 8.758 ( -0.258 1.275 -4.051) 4.255 11.811 ( 0.005 -0.555 -0.556) 0.785 11.812 ( 0.182 -0.689 -0.044) 0.714 11.935 ( -1.169 0.842 1.757) 2.272 11.994 ( 0.877 0.843 -0.981) 1.562 15.256 ( -0.609 -1.805 0.846) 2.084 15.294 ( 0.823 -2.665 -0.614) 2.856 15.541 ( -0.439 0.921 3.489) 3.635 15.604 ( 0.926 -0.111 -1.875) 2.094 15.770 ( -1.116 0.648 4.082) 4.282 15.837 ( -0.866 1.829 -1.574) 2.564 15.910 ( -0.721 0.799 -2.173) 2.425 15.922 ( -0.308 0.570 -2.747) 2.823 16.177 ( -3.881 -1.313 -0.858) 4.186 16.241 ( -2.703 -0.578 0.469) 2.803 16.415 ( 7.419 0.394 6.098) 9.611 16.504 ( 6.838 1.564 -2.026) 7.301 ======================= Grid point 134 (69/72) ======================= q-point: (-0.14 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -2.209 -1.693 0.615) 2.850 1.059 ( 0.057 -0.205 1.200) 1.219 1.202 ( -11.959 -7.898 9.629) 17.266 1.532 ( -2.780 -3.792 1.577) 4.959 1.577 ( -1.643 -5.681 -2.879) 6.578 1.818 ( -8.321 -7.650 -2.295) 11.533 1.923 ( -2.336 1.941 5.107) 5.942 2.028 ( 1.561 -1.831 0.591) 2.478 2.065 ( -4.745 3.921 -6.981) 9.307 2.110 ( 7.179 4.340 -6.037) 10.335 2.272 ( 0.104 3.902 3.606) 5.314 2.404 ( 1.305 6.154 -2.951) 6.948 2.527 ( 3.151 2.245 0.558) 3.909 2.570 ( 2.694 -0.002 0.235) 2.704 2.613 ( 1.191 3.661 0.942) 3.964 2.692 ( 3.494 -0.500 5.781) 6.773 2.739 ( -2.095 3.946 1.122) 4.607 2.823 ( -2.244 2.865 1.959) 4.133 3.007 ( -4.751 -3.216 1.595) 5.955 3.101 ( -3.519 -0.505 -3.390) 4.912 3.242 ( -0.268 -2.792 3.297) 4.329 3.364 ( -3.222 -6.707 -5.900) 9.496 3.429 ( 1.615 -3.856 2.123) 4.688 3.462 ( 1.956 -3.147 0.710) 3.773 3.853 ( 0.085 -0.855 7.196) 7.247 3.898 ( 3.870 1.531 3.588) 5.495 3.937 ( 2.532 -0.384 -2.964) 3.917 3.990 ( 0.571 -0.495 0.512) 0.913 4.089 ( -3.886 -2.487 -1.865) 4.976 4.172 ( 0.474 -1.434 0.712) 1.670 4.229 ( 0.233 0.087 0.613) 0.662 4.274 ( -0.865 -0.036 -3.040) 3.161 4.422 ( 1.101 1.557 -5.238) 5.574 4.440 ( 3.394 -0.997 0.134) 3.540 4.497 ( -1.693 0.164 2.467) 2.996 4.599 ( -4.621 0.474 0.033) 4.645 4.728 ( -0.210 -1.356 -5.342) 5.515 4.888 ( 1.490 3.095 6.668) 7.501 5.003 ( -1.200 3.782 -9.497) 10.293 5.036 ( 1.836 -1.716 -0.443) 2.552 5.296 ( -4.092 -1.406 -0.023) 4.327 5.376 ( -4.029 -1.100 -2.163) 4.703 5.683 ( 4.426 1.122 3.183) 5.566 5.726 ( 0.652 -0.296 0.977) 1.211 5.749 ( 3.005 0.968 1.213) 3.382 5.975 ( 1.997 -1.998 -5.765) 6.420 6.031 ( 2.862 -0.125 2.255) 3.646 6.067 ( 4.153 -1.363 -0.858) 4.454 6.224 ( -1.625 2.884 6.299) 7.116 6.322 ( -0.283 -0.859 3.879) 3.983 6.361 ( -0.600 -2.958 -0.599) 3.077 6.472 ( 2.013 4.835 -6.066) 8.014 6.889 ( 2.853 -1.517 1.370) 3.510 6.970 ( 3.415 -1.893 -1.142) 4.068 7.239 ( -2.245 5.306 -0.179) 5.764 7.371 ( 0.826 1.212 -0.734) 1.640 7.470 ( -2.807 3.499 1.049) 4.606 7.600 ( -0.000 -0.508 -1.881) 1.949 7.789 ( -1.828 2.646 -2.088) 3.834 7.937 ( 1.079 -0.310 0.820) 1.391 8.133 ( -2.769 -3.174 0.743) 4.277 8.375 ( 2.740 0.022 0.295) 2.756 8.398 ( -1.402 -0.493 0.001) 1.486 8.492 ( -2.527 0.011 2.972) 3.901 8.569 ( 0.788 -0.057 3.192) 3.288 8.653 ( -0.371 0.071 0.701) 0.796 8.701 ( -0.454 1.452 -1.272) 1.983 8.735 ( 0.546 0.594 -2.321) 2.457 11.822 ( -0.092 -1.046 -1.680) 1.981 11.836 ( 0.393 -1.292 1.547) 2.053 11.907 ( -0.934 1.303 1.618) 2.278 11.976 ( 0.527 1.593 -1.498) 2.250 15.298 ( -0.378 -2.866 0.738) 2.984 15.357 ( 1.054 -2.769 -0.875) 3.089 15.519 ( -0.872 1.044 2.795) 3.108 15.605 ( 1.077 0.984 -2.245) 2.677 15.749 ( -1.137 0.746 3.646) 3.892 15.801 ( -0.799 1.019 2.879) 3.157 15.883 ( -0.580 1.049 -2.315) 2.607 15.909 ( 0.312 0.185 -4.957) 4.970 16.183 ( -2.242 -2.231 0.176) 3.167 16.233 ( -1.952 -0.850 -0.082) 2.131 16.460 ( 4.357 1.328 4.037) 6.087 16.513 ( 5.814 3.516 -1.571) 6.974 ======================= Grid point 140 (70/72) ======================= q-point: (-0.29 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -4.108 0.000 0.674) 4.163 1.049 ( 2.177 -0.000 -0.423) 2.218 1.255 ( -14.611 0.000 13.241) 19.718 1.391 ( -8.977 0.000 5.179) 10.364 1.443 ( -10.106 0.000 -5.713) 11.609 1.636 ( -10.910 0.000 -8.011) 13.536 1.906 ( -7.804 0.000 7.381) 10.742 1.983 ( 5.162 -0.000 -1.884) 5.495 2.174 ( 6.663 -0.000 0.130) 6.665 2.228 ( 1.972 -0.000 -0.749) 2.110 2.332 ( -2.478 0.000 26.140) 26.257 2.399 ( 0.379 -0.000 1.543) 1.589 2.489 ( 6.721 -0.000 -1.953) 6.999 2.536 ( 4.384 -0.000 -8.750) 9.786 2.664 ( 2.358 -0.000 -0.780) 2.484 2.782 ( 1.199 -0.000 -7.146) 7.246 2.873 ( -4.058 0.000 8.416) 9.343 3.009 ( 0.688 -0.000 0.182) 0.712 3.016 ( -0.185 0.000 -1.722) 1.732 3.045 ( -0.385 0.000 -8.425) 8.434 3.167 ( 0.187 -0.000 0.458) 0.495 3.179 ( -0.301 0.000 -1.153) 1.192 3.338 ( -3.384 0.000 -4.429) 5.574 3.354 ( -3.384 0.000 -4.904) 5.958 3.816 ( 0.476 -0.000 11.776) 11.786 3.911 ( 3.394 -0.000 0.573) 3.442 3.940 ( 0.350 -0.000 5.055) 5.067 4.025 ( -3.595 0.000 -4.525) 5.779 4.053 ( -0.176 0.000 3.855) 3.859 4.086 ( -1.561 0.000 -2.147) 2.655 4.267 ( 0.524 -0.000 -5.451) 5.477 4.328 ( -3.255 0.000 -1.992) 3.816 4.383 ( 0.556 -0.000 -5.818) 5.844 4.417 ( 5.401 -0.000 5.393) 7.632 4.448 ( -3.142 0.000 -1.932) 3.688 4.634 ( -4.874 0.000 4.923) 6.927 4.669 ( 4.259 -0.000 -7.209) 8.373 4.965 ( 0.594 -0.000 -3.698) 3.745 4.980 ( 0.862 -0.000 10.948) 10.982 5.109 ( 0.587 -0.000 -11.464) 11.479 5.261 ( -4.716 0.000 -1.755) 5.032 5.362 ( -4.690 0.000 -2.074) 5.128 5.708 ( 4.619 -0.000 6.299) 7.811 5.718 ( 5.942 -0.000 2.702) 6.528 5.791 ( 4.102 -0.000 2.230) 4.669 5.937 ( 1.760 -0.000 -6.638) 6.867 6.036 ( 4.725 -0.000 1.884) 5.087 6.084 ( 3.329 -0.000 -3.938) 5.157 6.183 ( -1.445 0.000 4.671) 4.890 6.260 ( 2.102 -0.000 -0.428) 2.145 6.380 ( -1.297 0.000 7.222) 7.338 6.599 ( 2.560 -0.000 -5.694) 6.243 6.891 ( 4.194 -0.000 -0.007) 4.194 6.902 ( 3.373 -0.000 0.376) 3.394 7.329 ( 1.680 -0.000 1.260) 2.101 7.353 ( 0.742 -0.000 -1.242) 1.447 7.583 ( -4.813 0.000 -0.512) 4.840 7.616 ( -7.661 0.000 0.762) 7.699 7.864 ( -0.130 0.000 3.223) 3.225 7.913 ( 1.270 -0.000 0.639) 1.421 8.095 ( -1.075 0.000 -2.922) 3.114 8.343 ( 2.514 -0.000 -2.958) 3.882 8.390 ( -2.639 0.000 -3.090) 4.063 8.463 ( -1.083 0.000 6.192) 6.286 8.582 ( -0.820 0.000 2.242) 2.387 8.666 ( 2.625 -0.000 3.760) 4.586 8.745 ( 0.023 -0.000 -1.914) 1.915 8.752 ( -1.340 0.000 -4.938) 5.116 11.798 ( -0.239 0.000 -2.185) 2.198 11.812 ( 0.204 -0.000 1.385) 1.400 11.936 ( -0.764 0.000 2.001) 2.142 12.008 ( 0.637 -0.000 -0.972) 1.162 15.232 ( -0.637 0.000 -0.155) 0.656 15.272 ( 0.196 -0.000 0.536) 0.571 15.555 ( 0.086 -0.000 3.158) 3.159 15.607 ( 0.905 -0.000 -1.255) 1.548 15.773 ( -1.023 0.000 4.184) 4.307 15.846 ( -0.856 0.000 -4.332) 4.416 15.894 ( -2.327 0.000 -1.953) 3.038 15.924 ( -0.735 0.000 -0.757) 1.055 16.129 ( -2.926 0.000 -1.400) 3.244 16.207 ( -3.046 0.000 0.698) 3.125 16.526 ( 11.647 -0.000 6.742) 13.458 16.586 ( 8.065 -0.000 -1.435) 8.192 ======================= Grid point 141 (71/72) ======================= q-point: (-0.14 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -6.399 -3.511 4.219) 8.430 1.012 ( -12.048 4.363 14.071) 19.031 1.082 ( -0.356 0.277 1.343) 1.417 1.400 ( -7.090 -5.402 -2.410) 9.234 1.439 ( -4.305 -6.751 -1.447) 8.137 1.570 ( -13.133 -6.303 -8.637) 16.935 1.871 ( -4.460 -1.355 7.396) 8.742 2.032 ( 2.084 -1.188 -2.729) 3.633 2.179 ( 5.047 6.997 1.000) 8.685 2.240 ( 6.187 0.364 1.303) 6.334 2.343 ( -1.021 3.988 7.305) 8.385 2.439 ( 0.316 -0.428 2.583) 2.637 2.507 ( 3.807 -5.665 5.835) 8.979 2.613 ( 1.496 -1.788 2.150) 3.171 2.656 ( 0.818 2.718 -1.061) 3.030 2.726 ( 0.291 5.989 -4.267) 7.360 2.809 ( 0.052 3.769 4.547) 5.906 2.900 ( -3.091 7.737 -1.688) 8.501 3.019 ( 1.403 1.590 -3.522) 4.111 3.068 ( 0.164 -1.860 -6.673) 6.929 3.184 ( -2.245 -2.139 1.157) 3.310 3.202 ( -5.229 -4.581 -6.365) 9.426 3.337 ( -0.787 -5.537 3.605) 6.654 3.389 ( -0.699 -5.415 -5.032) 7.425 3.838 ( -1.027 -1.106 10.286) 10.396 3.949 ( 4.052 -0.365 1.124) 4.221 3.985 ( 4.147 -1.164 1.978) 4.740 4.002 ( -1.439 1.085 -2.905) 3.418 4.007 ( -1.597 0.391 1.310) 2.102 4.122 ( -0.903 -2.949 1.238) 3.324 4.245 ( 0.083 1.332 -4.249) 4.453 4.266 ( -3.190 1.372 -4.072) 5.352 4.407 ( -0.022 -1.590 -5.912) 6.122 4.439 ( -3.417 -2.729 -3.641) 5.690 4.490 ( 5.496 -0.737 6.250) 8.355 4.590 ( -2.558 1.881 5.252) 6.137 4.704 ( 2.359 -0.997 -7.792) 8.202 4.945 ( -0.918 1.620 0.722) 1.997 5.010 ( 0.463 -1.053 6.105) 6.213 5.064 ( 0.305 3.332 -8.969) 9.573 5.235 ( -3.187 -1.106 -1.446) 3.670 5.328 ( -2.585 -0.304 -3.136) 4.075 5.742 ( 2.438 0.527 5.121) 5.696 5.760 ( 3.234 1.482 4.081) 5.414 5.807 ( 4.120 1.754 2.015) 4.910 5.946 ( 0.388 -0.917 -6.787) 6.859 6.069 ( 2.976 0.777 1.350) 3.359 6.102 ( 5.275 0.094 -2.555) 5.862 6.248 ( -0.583 -5.046 3.965) 6.444 6.270 ( 2.095 1.061 1.546) 2.811 6.361 ( -0.646 1.870 4.761) 5.155 6.571 ( 1.459 4.145 -5.513) 7.050 6.917 ( 4.897 0.499 0.686) 4.970 6.974 ( 5.218 -1.985 0.160) 5.585 7.303 ( -1.648 3.365 -0.317) 3.760 7.374 ( -1.277 -0.685 0.243) 1.469 7.500 ( -3.470 2.557 1.686) 4.628 7.574 ( -2.309 -0.983 -2.304) 3.407 7.831 ( -0.223 2.987 0.022) 2.995 7.942 ( 0.522 -0.349 2.623) 2.697 8.073 ( -1.509 -0.531 -1.963) 2.532 8.339 ( -5.323 -1.565 -2.779) 6.206 8.400 ( 2.917 -1.024 -0.440) 3.122 8.466 ( -2.209 -1.170 4.067) 4.774 8.583 ( 1.025 0.387 3.014) 3.207 8.684 ( 2.042 1.764 3.120) 4.125 8.708 ( -1.127 0.852 -4.065) 4.303 8.747 ( 0.008 0.656 -2.545) 2.628 11.802 ( 0.191 -0.736 -1.985) 2.125 11.819 ( -0.415 -0.718 1.248) 1.498 11.925 ( -0.229 0.941 2.240) 2.440 12.002 ( 0.278 0.950 -1.374) 1.694 15.248 ( -0.276 -2.114 0.341) 2.159 15.304 ( 0.149 -3.054 -0.893) 3.185 15.544 ( -0.121 1.508 3.229) 3.565 15.619 ( 1.026 -0.182 -1.529) 1.851 15.759 ( -0.992 0.908 3.204) 3.475 15.816 ( -1.110 1.128 0.648) 1.710 15.879 ( -1.882 -0.363 -2.858) 3.441 15.909 ( -0.461 0.443 -2.767) 2.840 16.125 ( -1.485 -1.735 -0.623) 2.367 16.193 ( -2.498 -1.086 0.275) 2.738 16.583 ( 8.328 4.714 5.283) 10.931 16.641 ( 8.501 2.928 -1.009) 9.048 ======================= Grid point 148 (72/72) ======================= q-point: (-0.14 -0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -11.275 0.000 12.283) 16.673 1.026 ( -12.332 0.000 19.695) 23.237 1.102 ( 2.031 -0.000 -0.727) 2.157 1.195 ( -8.404 0.000 4.494) 9.530 1.339 ( -1.891 0.000 -13.020) 13.157 1.380 ( -11.965 0.000 -14.655) 18.919 1.837 ( -3.469 0.000 19.096) 19.409 2.039 ( 2.202 -0.000 -2.712) 3.493 2.254 ( 0.667 -0.000 10.506) 10.527 2.318 ( 4.952 -0.000 2.158) 5.401 2.412 ( 4.846 -0.000 9.383) 10.561 2.415 ( 1.898 -0.000 0.729) 2.033 2.573 ( 1.469 -0.000 -2.703) 3.077 2.596 ( 5.336 -0.000 -2.975) 6.109 2.657 ( -3.137 0.000 -1.392) 3.432 2.815 ( 5.152 -0.000 -12.880) 13.872 2.832 ( -2.901 0.000 9.841) 10.260 2.998 ( -1.836 0.000 2.773) 3.326 2.999 ( -1.301 0.000 -2.124) 2.491 3.029 ( 0.359 -0.000 -10.706) 10.712 3.118 ( -4.509 0.000 -4.612) 6.450 3.139 ( -3.011 0.000 -0.742) 3.101 3.279 ( -1.230 0.000 -5.569) 5.703 3.282 ( -2.307 0.000 -0.564) 2.375 3.828 ( -1.658 0.000 11.223) 11.345 3.963 ( -1.007 0.000 1.560) 1.857 3.983 ( 1.025 -0.000 4.129) 4.254 3.991 ( 3.753 -0.000 -3.378) 5.049 4.062 ( -0.192 0.000 -1.442) 1.455 4.080 ( 1.854 -0.000 3.781) 4.211 4.239 ( -4.791 0.000 -2.352) 5.337 4.257 ( 0.059 -0.000 -7.618) 7.618 4.356 ( -5.451 0.000 -2.376) 5.946 4.378 ( 0.975 -0.000 -8.507) 8.563 4.540 ( 3.290 -0.000 8.103) 8.745 4.620 ( 4.085 -0.000 5.131) 6.559 4.710 ( 2.285 -0.000 -7.589) 7.926 4.933 ( -2.890 0.000 -3.180) 4.297 5.019 ( -0.033 0.000 9.560) 9.560 5.095 ( 0.672 -0.000 -8.094) 8.121 5.204 ( -1.081 0.000 -1.666) 1.986 5.305 ( -1.327 0.000 -3.127) 3.397 5.764 ( 0.214 -0.000 7.606) 7.609 5.805 ( 1.781 -0.000 6.766) 6.997 5.880 ( 4.738 -0.000 0.222) 4.743 5.935 ( 0.654 -0.000 -7.734) 7.761 6.108 ( 1.796 -0.000 -0.094) 1.798 6.152 ( 4.577 -0.000 -5.111) 6.860 6.184 ( 0.137 -0.000 6.627) 6.628 6.299 ( 2.667 -0.000 -3.030) 4.036 6.395 ( 0.850 -0.000 8.422) 8.465 6.614 ( 0.251 -0.000 -5.529) 5.534 6.987 ( 6.205 -0.000 1.592) 6.406 7.000 ( 7.337 -0.000 0.760) 7.376 7.325 ( -4.749 0.000 1.463) 4.969 7.328 ( -3.427 0.000 0.042) 3.427 7.509 ( -2.688 0.000 0.705) 2.779 7.526 ( -0.828 0.000 -1.851) 2.028 7.886 ( 2.583 -0.000 1.894) 3.203 7.935 ( 0.691 -0.000 3.324) 3.395 8.073 ( -0.271 0.000 -4.404) 4.413 8.242 ( -8.592 0.000 -2.739) 9.018 8.415 ( 2.031 -0.000 -2.051) 2.887 8.423 ( -3.618 0.000 4.313) 5.630 8.604 ( 0.897 -0.000 4.674) 4.759 8.698 ( -0.038 0.000 -4.046) 4.046 8.742 ( 0.732 -0.000 -2.676) 2.774 8.750 ( 2.150 -0.000 -0.219) 2.161 11.796 ( 0.563 -0.000 -1.802) 1.889 11.807 ( -1.025 0.000 0.845) 1.328 11.938 ( 0.340 -0.000 2.638) 2.660 12.011 ( -0.055 0.000 -1.399) 1.400 15.226 ( -0.000 0.000 0.105) 0.105 15.266 ( -0.869 0.000 -0.162) 0.884 15.569 ( 0.886 -0.000 2.489) 2.642 15.620 ( 0.636 -0.000 -0.738) 0.974 15.766 ( -0.765 0.000 3.603) 3.683 15.817 ( -0.890 0.000 -3.767) 3.871 15.844 ( -2.779 0.000 0.492) 2.822 15.904 ( -0.870 0.000 -2.328) 2.485 16.101 ( -0.079 0.000 -0.305) 0.315 16.160 ( -2.327 0.000 0.144) 2.332 16.726 ( 6.703 -0.000 0.871) 6.759 16.761 ( 11.360 -0.000 1.727) 11.491 =================== 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 3/20580 10.0 273.454 286.276 229.325 0.000 -14.180 -0.000 3/20580 20.0 42.210 48.483 39.696 0.000 -3.616 -0.000 3/20580 30.0 17.904 20.380 17.212 0.000 -1.878 -0.000 3/20580 40.0 10.557 11.909 10.274 0.000 -1.207 -0.000 3/20580 50.0 7.287 8.173 7.184 0.000 -0.871 -0.000 3/20580 60.0 5.510 6.153 5.500 0.000 -0.675 -0.000 3/20580 70.0 4.418 4.915 4.456 0.000 -0.550 -0.000 3/20580 80.0 3.687 4.088 3.750 0.000 -0.463 -0.000 3/20580 90.0 3.167 3.500 3.243 0.000 -0.401 -0.000 3/20580 100.0 2.778 3.063 2.860 0.000 -0.353 -0.000 3/20580 110.0 2.477 2.725 2.562 0.000 -0.316 -0.000 3/20580 120.0 2.238 2.457 2.322 0.000 -0.286 -0.000 3/20580 130.0 2.042 2.238 2.126 0.000 -0.261 -0.000 3/20580 140.0 1.879 2.056 1.961 0.000 -0.241 -0.000 3/20580 150.0 1.741 1.903 1.821 0.000 -0.223 -0.000 3/20580 160.0 1.623 1.772 1.701 0.000 -0.208 -0.000 3/20580 170.0 1.520 1.659 1.596 0.000 -0.195 -0.000 3/20580 180.0 1.430 1.559 1.504 0.000 -0.184 -0.000 3/20580 190.0 1.351 1.472 1.423 0.000 -0.174 -0.000 3/20580 200.0 1.280 1.394 1.350 0.000 -0.165 -0.000 3/20580 210.0 1.217 1.324 1.285 0.000 -0.157 -0.000 3/20580 220.0 1.159 1.261 1.226 0.000 -0.149 -0.000 3/20580 230.0 1.108 1.204 1.172 0.000 -0.143 -0.000 3/20580 240.0 1.060 1.152 1.123 0.000 -0.137 -0.000 3/20580 250.0 1.017 1.105 1.078 0.000 -0.131 -0.000 3/20580 260.0 0.977 1.061 1.037 0.000 -0.126 -0.000 3/20580 270.0 0.940 1.021 0.998 0.000 -0.121 -0.000 3/20580 280.0 0.906 0.984 0.963 0.000 -0.117 -0.000 3/20580 290.0 0.875 0.949 0.930 0.000 -0.113 -0.000 3/20580 300.0 0.845 0.917 0.899 0.000 -0.109 -0.000 3/20580 310.0 0.818 0.887 0.871 0.000 -0.105 -0.000 3/20580 320.0 0.792 0.859 0.844 0.000 -0.102 -0.000 3/20580 330.0 0.768 0.833 0.819 0.000 -0.099 -0.000 3/20580 340.0 0.746 0.808 0.795 0.000 -0.096 -0.000 3/20580 350.0 0.724 0.785 0.772 0.000 -0.093 -0.000 3/20580 360.0 0.704 0.763 0.751 0.000 -0.091 -0.000 3/20580 370.0 0.685 0.743 0.731 0.000 -0.088 -0.000 3/20580 380.0 0.667 0.723 0.712 0.000 -0.086 -0.000 3/20580 390.0 0.650 0.704 0.695 0.000 -0.084 -0.000 3/20580 400.0 0.634 0.687 0.677 0.000 -0.082 -0.000 3/20580 410.0 0.619 0.670 0.661 0.000 -0.080 -0.000 3/20580 420.0 0.604 0.654 0.646 0.000 -0.078 -0.000 3/20580 430.0 0.590 0.639 0.631 0.000 -0.076 -0.000 3/20580 440.0 0.577 0.624 0.617 0.000 -0.074 -0.000 3/20580 450.0 0.564 0.611 0.603 0.000 -0.073 -0.000 3/20580 460.0 0.552 0.597 0.591 0.000 -0.071 -0.000 3/20580 470.0 0.540 0.585 0.578 0.000 -0.070 -0.000 3/20580 480.0 0.529 0.572 0.566 0.000 -0.068 -0.000 3/20580 490.0 0.518 0.561 0.555 0.000 -0.067 -0.000 3/20580 500.0 0.508 0.550 0.544 0.000 -0.066 -0.000 3/20580 510.0 0.498 0.539 0.534 0.000 -0.064 -0.000 3/20580 520.0 0.488 0.529 0.524 0.000 -0.063 -0.000 3/20580 530.0 0.479 0.519 0.514 0.000 -0.062 -0.000 3/20580 540.0 0.470 0.509 0.505 0.000 -0.061 -0.000 3/20580 550.0 0.462 0.500 0.496 0.000 -0.060 -0.000 3/20580 560.0 0.454 0.491 0.487 0.000 -0.059 -0.000 3/20580 570.0 0.446 0.482 0.479 0.000 -0.058 -0.000 3/20580 580.0 0.438 0.474 0.470 0.000 -0.057 -0.000 3/20580 590.0 0.431 0.466 0.463 0.000 -0.056 -0.000 3/20580 600.0 0.424 0.458 0.455 0.000 -0.055 -0.000 3/20580 610.0 0.417 0.451 0.448 0.000 -0.054 -0.000 3/20580 620.0 0.410 0.444 0.441 0.000 -0.053 -0.000 3/20580 630.0 0.404 0.437 0.434 0.000 -0.052 -0.000 3/20580 640.0 0.397 0.430 0.427 0.000 -0.051 -0.000 3/20580 650.0 0.391 0.423 0.421 0.000 -0.051 -0.000 3/20580 660.0 0.385 0.417 0.414 0.000 -0.050 -0.000 3/20580 670.0 0.380 0.411 0.408 0.000 -0.049 -0.000 3/20580 680.0 0.374 0.405 0.402 0.000 -0.048 -0.000 3/20580 690.0 0.369 0.399 0.397 0.000 -0.048 -0.000 3/20580 700.0 0.364 0.393 0.391 0.000 -0.047 -0.000 3/20580 710.0 0.358 0.388 0.386 0.000 -0.046 -0.000 3/20580 720.0 0.353 0.382 0.380 0.000 -0.046 -0.000 3/20580 730.0 0.349 0.377 0.375 0.000 -0.045 -0.000 3/20580 740.0 0.344 0.372 0.370 0.000 -0.045 -0.000 3/20580 750.0 0.339 0.367 0.365 0.000 -0.044 -0.000 3/20580 760.0 0.335 0.362 0.361 0.000 -0.043 -0.000 3/20580 770.0 0.331 0.358 0.356 0.000 -0.043 -0.000 3/20580 780.0 0.326 0.353 0.352 0.000 -0.042 -0.000 3/20580 790.0 0.322 0.349 0.347 0.000 -0.042 -0.000 3/20580 800.0 0.318 0.344 0.343 0.000 -0.041 -0.000 3/20580 810.0 0.314 0.340 0.339 0.000 -0.041 -0.000 3/20580 820.0 0.311 0.336 0.335 0.000 -0.040 -0.000 3/20580 830.0 0.307 0.332 0.331 0.000 -0.040 -0.000 3/20580 840.0 0.303 0.328 0.327 0.000 -0.039 -0.000 3/20580 850.0 0.300 0.324 0.323 0.000 -0.039 -0.000 3/20580 860.0 0.296 0.321 0.319 0.000 -0.038 -0.000 3/20580 870.0 0.293 0.317 0.316 0.000 -0.038 -0.000 3/20580 880.0 0.290 0.313 0.312 0.000 -0.038 -0.000 3/20580 890.0 0.286 0.310 0.309 0.000 -0.037 -0.000 3/20580 900.0 0.283 0.306 0.305 0.000 -0.037 -0.000 3/20580 910.0 0.280 0.303 0.302 0.000 -0.036 -0.000 3/20580 920.0 0.277 0.300 0.299 0.000 -0.036 -0.000 3/20580 930.0 0.274 0.297 0.296 0.000 -0.036 -0.000 3/20580 940.0 0.271 0.293 0.293 0.000 -0.035 -0.000 3/20580 950.0 0.268 0.290 0.290 0.000 -0.035 -0.000 3/20580 960.0 0.266 0.287 0.287 0.000 -0.034 -0.000 3/20580 970.0 0.263 0.284 0.284 0.000 -0.034 -0.000 3/20580 980.0 0.260 0.282 0.281 0.000 -0.034 -0.000 3/20580 990.0 0.258 0.279 0.278 0.000 -0.033 -0.000 3/20580 1000.0 0.255 0.276 0.275 0.000 -0.033 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:07:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|