----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.230366470020996 0.000000000000000 0.000000000000000 b 0.000000000000000 11.626527820000000 0.000000000000000 c -4.210134070960102 0.000000000000000 9.582279550819491 Atomic positions (fractional): *1 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 *3 Mg 0.54813138317850 0.32317332021282 0.78768413515154 24.305 4 Mg 0.54813138317850 0.17682667978718 0.28768413515154 24.305 5 Mg 0.45186861682149 0.67682667978718 0.21231586484846 24.305 6 Mg 0.45186861682149 0.82317332021282 0.71231586484846 24.305 *7 Mg 0.75515488763504 0.07001094845115 0.00418405689385 24.305 8 Mg 0.75515488763504 0.42998905154885 0.50418405689385 24.305 9 Mg 0.24484511236496 0.92998905154885 0.99581594310615 24.305 10 Mg 0.24484511236496 0.57001094845115 0.49581594310615 24.305 *11 Mg 0.24693422630551 0.29091061083965 0.50327284355141 24.305 12 Mg 0.24693422630551 0.20908938916035 0.00327284355141 24.305 13 Mg 0.75306577369449 0.70908938916035 0.49672715644859 24.305 14 Mg 0.75306577369449 0.79091061083965 0.99672715644859 24.305 *15 P 0.82192040538901 0.92033166316780 0.28894440511005 30.974 16 P 0.82192040538901 0.57966833683220 0.78894440511005 30.974 17 P 0.17807959461099 0.07966833683221 0.71105559488995 30.974 18 P 0.17807959461099 0.42033166316780 0.21105559488995 30.974 *19 H 0.20149635034811 0.47705576397233 0.70009424297471 1.008 20 H 0.20149635034811 0.02294423602767 0.20009424297471 1.008 21 H 0.79850364965189 0.52294423602767 0.29990575702529 1.008 22 H 0.79850364965189 0.97705576397233 0.79990575702529 1.008 *23 H 0.85574376590359 0.63118987930093 0.15550023789223 1.008 24 H 0.85574376590359 0.86881012069907 0.65550023789223 1.008 25 H 0.14425623409641 0.36881012069907 0.84449976210777 1.008 26 H 0.14425623409641 0.13118987930093 0.34449976210777 1.008 *27 H 0.82057308167557 0.15588141927890 0.80275783053625 1.008 28 H 0.82057308167557 0.34411858072110 0.30275783053625 1.008 29 H 0.17942691832443 0.84411858072110 0.19724216946375 1.008 30 H 0.17942691832443 0.65588141927890 0.69724216946375 1.008 *31 H 0.76574010742363 0.24512729109126 0.62752782809173 1.008 32 H 0.76574010742363 0.25487270890874 0.12752782809173 1.008 33 H 0.23425989257637 0.75487270890874 0.37247217190827 1.008 34 H 0.23425989257637 0.74512729109126 0.87247217190827 1.008 *35 O 0.83115811214238 0.19841331299170 0.88735761080192 15.999 36 O 0.83115811214238 0.30158668700830 0.38735761080192 15.999 37 O 0.16884188785762 0.80158668700830 0.11264238919808 15.999 38 O 0.16884188785762 0.69841331299170 0.61264238919808 15.999 *39 O 0.68557756997878 0.93065664748613 0.12432356413320 15.999 40 O 0.68557756997878 0.56934335251387 0.62432356413320 15.999 41 O 0.31442243002122 0.06934335251387 0.87567643586680 15.999 42 O 0.31442243002122 0.43065664748613 0.37567643586680 15.999 *43 O 0.66754361915416 0.65356940143637 0.09038166419524 15.999 44 O 0.66754361915416 0.84643059856363 0.59038166419524 15.999 45 O 0.33245638084584 0.34643059856363 0.90961833580476 15.999 46 O 0.33245638084584 0.15356940143637 0.40961833580476 15.999 *47 O 0.75116277017339 0.80094394352786 0.32854900251426 15.999 48 O 0.75116277017339 0.69905605647214 0.82854900251426 15.999 49 O 0.24883722982661 0.19905605647214 0.67145099748574 15.999 50 O 0.24883722982661 0.30094394352786 0.17145099748574 15.999 *51 O 0.18815170280800 0.43648008101237 0.61440992265758 15.999 52 O 0.18815170280800 0.06351991898763 0.11440992265758 15.999 53 O 0.81184829719200 0.56351991898763 0.38559007734242 15.999 54 O 0.81184829719200 0.93648008101237 0.88559007734242 15.999 *55 O 0.66405459224877 0.31692459068189 0.62429045632077 15.999 56 O 0.66405459224877 0.18307540931811 0.12429045632077 15.999 57 O 0.33594540775123 0.68307540931811 0.37570954367923 15.999 58 O 0.33594540775123 0.81692459068189 0.87570954367923 15.999 *59 O 0.71106191441204 0.01563284328304 0.35636623113032 15.999 60 O 0.71106191441204 0.48436715671696 0.85636623113032 15.999 61 O 0.28893808558797 0.98436715671696 0.64363376886968 15.999 62 O 0.28893808558797 0.51563284328304 0.14363376886968 15.999 *63 O 0.14318027744816 0.92975462644878 0.33343568839403 15.999 64 O 0.14318027744816 0.57024537355122 0.83343568839403 15.999 65 O 0.85681972255184 0.07024537355122 0.66656431160597 15.999 66 O 0.85681972255184 0.42975462644878 0.16656431160597 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.230366470020996 0.000000000000000 0.000000000000000 b 0.000000000000000 11.626527820000000 0.000000000000000 c -4.210134070960102 0.000000000000000 9.582279550819491 Atomic positions (fractional): *1 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 2 *3 Mg 0.54813138317850 0.32317332021282 0.78768413515154 24.305 > 3 4 Mg 0.54813138317850 0.17682667978718 0.28768413515154 24.305 > 4 5 Mg 0.45186861682149 0.67682667978718 0.21231586484846 24.305 > 5 6 Mg 0.45186861682149 0.82317332021282 0.71231586484846 24.305 > 6 *7 Mg 0.75515488763504 0.07001094845115 0.00418405689385 24.305 > 7 8 Mg 0.75515488763504 0.42998905154885 0.50418405689385 24.305 > 8 9 Mg 0.24484511236496 0.92998905154885 0.99581594310615 24.305 > 9 10 Mg 0.24484511236496 0.57001094845115 0.49581594310615 24.305 > 10 *11 Mg 0.24693422630551 0.29091061083965 0.50327284355141 24.305 > 11 12 Mg 0.24693422630551 0.20908938916035 0.00327284355141 24.305 > 12 13 Mg 0.75306577369449 0.70908938916035 0.49672715644859 24.305 > 13 14 Mg 0.75306577369449 0.79091061083965 0.99672715644859 24.305 > 14 *15 P 0.82192040538901 0.92033166316780 0.28894440511005 30.974 > 15 16 P 0.82192040538901 0.57966833683220 0.78894440511005 30.974 > 16 17 P 0.17807959461099 0.07966833683221 0.71105559488995 30.974 > 17 18 P 0.17807959461099 0.42033166316780 0.21105559488995 30.974 > 18 *19 H 0.20149635034811 0.47705576397233 0.70009424297471 1.008 > 19 20 H 0.20149635034811 0.02294423602767 0.20009424297471 1.008 > 20 21 H 0.79850364965189 0.52294423602767 0.29990575702529 1.008 > 21 22 H 0.79850364965189 0.97705576397233 0.79990575702529 1.008 > 22 *23 H 0.85574376590359 0.63118987930093 0.15550023789223 1.008 > 23 24 H 0.85574376590359 0.86881012069907 0.65550023789223 1.008 > 24 25 H 0.14425623409641 0.36881012069907 0.84449976210777 1.008 > 25 26 H 0.14425623409641 0.13118987930093 0.34449976210777 1.008 > 26 *27 H 0.82057308167557 0.15588141927890 0.80275783053625 1.008 > 27 28 H 0.82057308167557 0.34411858072110 0.30275783053625 1.008 > 28 29 H 0.17942691832443 0.84411858072110 0.19724216946375 1.008 > 29 30 H 0.17942691832443 0.65588141927890 0.69724216946375 1.008 > 30 *31 H 0.76574010742363 0.24512729109126 0.62752782809173 1.008 > 31 32 H 0.76574010742363 0.25487270890874 0.12752782809173 1.008 > 32 33 H 0.23425989257637 0.75487270890874 0.37247217190827 1.008 > 33 34 H 0.23425989257637 0.74512729109126 0.87247217190827 1.008 > 34 *35 O 0.83115811214238 0.19841331299170 0.88735761080192 15.999 > 35 36 O 0.83115811214238 0.30158668700830 0.38735761080192 15.999 > 36 37 O 0.16884188785762 0.80158668700830 0.11264238919808 15.999 > 37 38 O 0.16884188785762 0.69841331299170 0.61264238919808 15.999 > 38 *39 O 0.68557756997878 0.93065664748613 0.12432356413320 15.999 > 39 40 O 0.68557756997878 0.56934335251387 0.62432356413320 15.999 > 40 41 O 0.31442243002122 0.06934335251387 0.87567643586680 15.999 > 41 42 O 0.31442243002122 0.43065664748613 0.37567643586680 15.999 > 42 *43 O 0.66754361915416 0.65356940143637 0.09038166419524 15.999 > 43 44 O 0.66754361915416 0.84643059856363 0.59038166419524 15.999 > 44 45 O 0.33245638084584 0.34643059856363 0.90961833580476 15.999 > 45 46 O 0.33245638084584 0.15356940143637 0.40961833580476 15.999 > 46 *47 O 0.75116277017339 0.80094394352786 0.32854900251426 15.999 > 47 48 O 0.75116277017339 0.69905605647214 0.82854900251426 15.999 > 48 49 O 0.24883722982661 0.19905605647214 0.67145099748574 15.999 > 49 50 O 0.24883722982661 0.30094394352786 0.17145099748574 15.999 > 50 *51 O 0.18815170280800 0.43648008101237 0.61440992265758 15.999 > 51 52 O 0.18815170280800 0.06351991898763 0.11440992265758 15.999 > 52 53 O 0.81184829719200 0.56351991898763 0.38559007734242 15.999 > 53 54 O 0.81184829719200 0.93648008101237 0.88559007734242 15.999 > 54 *55 O 0.66405459224877 0.31692459068189 0.62429045632077 15.999 > 55 56 O 0.66405459224877 0.18307540931811 0.12429045632077 15.999 > 56 57 O 0.33594540775123 0.68307540931811 0.37570954367923 15.999 > 57 58 O 0.33594540775123 0.81692459068189 0.87570954367923 15.999 > 58 *59 O 0.71106191441204 0.01563284328304 0.35636623113032 15.999 > 59 60 O 0.71106191441204 0.48436715671696 0.85636623113032 15.999 > 60 61 O 0.28893808558797 0.98436715671696 0.64363376886968 15.999 > 61 62 O 0.28893808558797 0.51563284328304 0.14363376886968 15.999 > 62 *63 O 0.14318027744816 0.92975462644878 0.33343568839403 15.999 > 63 64 O 0.14318027744816 0.57024537355122 0.83343568839403 15.999 > 64 65 O 0.85681972255184 0.07024537355122 0.66656431160597 15.999 > 65 66 O 0.85681972255184 0.42975462644878 0.16656431160597 15.999 > 66 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.460732940041993 0.000000000000000 0.000000000000000 b 0.000000000000000 11.626527820000000 0.000000000000000 c -4.210134070960102 0.000000000000000 9.582279550819491 Atomic positions (fractional): *1 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 1 2 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 1 3 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 2 4 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 2 *5 Mg 0.27406569158925 0.32317332021282 0.78768413515154 24.305 > 3 6 Mg 0.77406569158925 0.32317332021282 0.78768413515154 24.305 > 3 7 Mg 0.27406569158925 0.17682667978718 0.28768413515154 24.305 > 4 8 Mg 0.77406569158925 0.17682667978718 0.28768413515154 24.305 > 4 9 Mg 0.22593430841075 0.67682667978718 0.21231586484846 24.305 > 5 10 Mg 0.72593430841075 0.67682667978718 0.21231586484846 24.305 > 5 11 Mg 0.22593430841075 0.82317332021282 0.71231586484846 24.305 > 6 12 Mg 0.72593430841075 0.82317332021282 0.71231586484846 24.305 > 6 *13 Mg 0.37757744381752 0.07001094845115 0.00418405689385 24.305 > 7 14 Mg 0.87757744381752 0.07001094845115 0.00418405689385 24.305 > 7 15 Mg 0.37757744381752 0.42998905154885 0.50418405689385 24.305 > 8 16 Mg 0.87757744381752 0.42998905154885 0.50418405689385 24.305 > 8 17 Mg 0.12242255618248 0.92998905154885 0.99581594310615 24.305 > 9 18 Mg 0.62242255618248 0.92998905154885 0.99581594310615 24.305 > 9 19 Mg 0.12242255618248 0.57001094845115 0.49581594310615 24.305 > 10 20 Mg 0.62242255618248 0.57001094845115 0.49581594310615 24.305 > 10 *21 Mg 0.12346711315275 0.29091061083965 0.50327284355141 24.305 > 11 22 Mg 0.62346711315275 0.29091061083965 0.50327284355141 24.305 > 11 23 Mg 0.12346711315275 0.20908938916035 0.00327284355141 24.305 > 12 24 Mg 0.62346711315275 0.20908938916035 0.00327284355141 24.305 > 12 25 Mg 0.37653288684725 0.70908938916035 0.49672715644859 24.305 > 13 26 Mg 0.87653288684725 0.70908938916035 0.49672715644859 24.305 > 13 27 Mg 0.37653288684725 0.79091061083965 0.99672715644859 24.305 > 14 28 Mg 0.87653288684725 0.79091061083965 0.99672715644859 24.305 > 14 *29 P 0.41096020269451 0.92033166316780 0.28894440511005 30.974 > 15 30 P 0.91096020269451 0.92033166316780 0.28894440511005 30.974 > 15 31 P 0.41096020269451 0.57966833683220 0.78894440511005 30.974 > 16 32 P 0.91096020269451 0.57966833683220 0.78894440511005 30.974 > 16 33 P 0.08903979730549 0.07966833683221 0.71105559488995 30.974 > 17 34 P 0.58903979730549 0.07966833683221 0.71105559488995 30.974 > 17 35 P 0.08903979730549 0.42033166316780 0.21105559488995 30.974 > 18 36 P 0.58903979730549 0.42033166316780 0.21105559488995 30.974 > 18 *37 H 0.10074817517405 0.47705576397233 0.70009424297471 1.008 > 19 38 H 0.60074817517405 0.47705576397233 0.70009424297471 1.008 > 19 39 H 0.10074817517405 0.02294423602767 0.20009424297471 1.008 > 20 40 H 0.60074817517405 0.02294423602767 0.20009424297471 1.008 > 20 41 H 0.39925182482595 0.52294423602767 0.29990575702529 1.008 > 21 42 H 0.89925182482595 0.52294423602767 0.29990575702529 1.008 > 21 43 H 0.39925182482595 0.97705576397233 0.79990575702529 1.008 > 22 44 H 0.89925182482595 0.97705576397233 0.79990575702529 1.008 > 22 *45 H 0.42787188295179 0.63118987930093 0.15550023789223 1.008 > 23 46 H 0.92787188295179 0.63118987930093 0.15550023789223 1.008 > 23 47 H 0.42787188295179 0.86881012069907 0.65550023789223 1.008 > 24 48 H 0.92787188295179 0.86881012069907 0.65550023789223 1.008 > 24 49 H 0.07212811704821 0.36881012069907 0.84449976210777 1.008 > 25 50 H 0.57212811704821 0.36881012069907 0.84449976210777 1.008 > 25 51 H 0.07212811704821 0.13118987930093 0.34449976210777 1.008 > 26 52 H 0.57212811704821 0.13118987930093 0.34449976210777 1.008 > 26 *53 H 0.41028654083779 0.15588141927890 0.80275783053625 1.008 > 27 54 H 0.91028654083779 0.15588141927890 0.80275783053625 1.008 > 27 55 H 0.41028654083779 0.34411858072110 0.30275783053625 1.008 > 28 56 H 0.91028654083779 0.34411858072110 0.30275783053625 1.008 > 28 57 H 0.08971345916221 0.84411858072110 0.19724216946375 1.008 > 29 58 H 0.58971345916221 0.84411858072110 0.19724216946375 1.008 > 29 59 H 0.08971345916221 0.65588141927890 0.69724216946375 1.008 > 30 60 H 0.58971345916221 0.65588141927890 0.69724216946375 1.008 > 30 *61 H 0.38287005371181 0.24512729109126 0.62752782809173 1.008 > 31 62 H 0.88287005371182 0.24512729109126 0.62752782809173 1.008 > 31 63 H 0.38287005371181 0.25487270890874 0.12752782809173 1.008 > 32 64 H 0.88287005371182 0.25487270890874 0.12752782809173 1.008 > 32 65 H 0.11712994628819 0.75487270890874 0.37247217190827 1.008 > 33 66 H 0.61712994628818 0.75487270890874 0.37247217190827 1.008 > 33 67 H 0.11712994628819 0.74512729109126 0.87247217190827 1.008 > 34 68 H 0.61712994628818 0.74512729109126 0.87247217190827 1.008 > 34 *69 O 0.41557905607119 0.19841331299170 0.88735761080192 15.999 > 35 70 O 0.91557905607119 0.19841331299170 0.88735761080192 15.999 > 35 71 O 0.41557905607119 0.30158668700830 0.38735761080192 15.999 > 36 72 O 0.91557905607119 0.30158668700830 0.38735761080192 15.999 > 36 73 O 0.08442094392881 0.80158668700830 0.11264238919808 15.999 > 37 74 O 0.58442094392881 0.80158668700830 0.11264238919808 15.999 > 37 75 O 0.08442094392881 0.69841331299170 0.61264238919808 15.999 > 38 76 O 0.58442094392881 0.69841331299170 0.61264238919808 15.999 > 38 *77 O 0.34278878498939 0.93065664748613 0.12432356413320 15.999 > 39 78 O 0.84278878498939 0.93065664748613 0.12432356413320 15.999 > 39 79 O 0.34278878498939 0.56934335251387 0.62432356413320 15.999 > 40 80 O 0.84278878498939 0.56934335251387 0.62432356413320 15.999 > 40 81 O 0.15721121501061 0.06934335251387 0.87567643586680 15.999 > 41 82 O 0.65721121501061 0.06934335251387 0.87567643586680 15.999 > 41 83 O 0.15721121501061 0.43065664748613 0.37567643586680 15.999 > 42 84 O 0.65721121501061 0.43065664748613 0.37567643586680 15.999 > 42 *85 O 0.33377180957708 0.65356940143637 0.09038166419524 15.999 > 43 86 O 0.83377180957708 0.65356940143637 0.09038166419524 15.999 > 43 87 O 0.33377180957708 0.84643059856363 0.59038166419524 15.999 > 44 88 O 0.83377180957708 0.84643059856363 0.59038166419524 15.999 > 44 89 O 0.16622819042292 0.34643059856363 0.90961833580476 15.999 > 45 90 O 0.66622819042292 0.34643059856363 0.90961833580476 15.999 > 45 91 O 0.16622819042292 0.15356940143637 0.40961833580476 15.999 > 46 92 O 0.66622819042292 0.15356940143637 0.40961833580476 15.999 > 46 *93 O 0.37558138508670 0.80094394352786 0.32854900251426 15.999 > 47 94 O 0.87558138508670 0.80094394352786 0.32854900251426 15.999 > 47 95 O 0.37558138508670 0.69905605647214 0.82854900251426 15.999 > 48 96 O 0.87558138508670 0.69905605647214 0.82854900251426 15.999 > 48 97 O 0.12441861491330 0.19905605647214 0.67145099748574 15.999 > 49 98 O 0.62441861491330 0.19905605647214 0.67145099748574 15.999 > 49 99 O 0.12441861491330 0.30094394352786 0.17145099748574 15.999 > 50 100 O 0.62441861491330 0.30094394352786 0.17145099748574 15.999 > 50 *101 O 0.09407585140400 0.43648008101237 0.61440992265758 15.999 > 51 102 O 0.59407585140400 0.43648008101237 0.61440992265758 15.999 > 51 103 O 0.09407585140400 0.06351991898763 0.11440992265758 15.999 > 52 104 O 0.59407585140400 0.06351991898763 0.11440992265758 15.999 > 52 105 O 0.40592414859600 0.56351991898763 0.38559007734242 15.999 > 53 106 O 0.90592414859600 0.56351991898763 0.38559007734242 15.999 > 53 107 O 0.40592414859600 0.93648008101237 0.88559007734242 15.999 > 54 108 O 0.90592414859600 0.93648008101237 0.88559007734242 15.999 > 54 *109 O 0.33202729612439 0.31692459068189 0.62429045632077 15.999 > 55 110 O 0.83202729612439 0.31692459068189 0.62429045632077 15.999 > 55 111 O 0.33202729612439 0.18307540931811 0.12429045632077 15.999 > 56 112 O 0.83202729612439 0.18307540931811 0.12429045632077 15.999 > 56 113 O 0.16797270387561 0.68307540931811 0.37570954367923 15.999 > 57 114 O 0.66797270387561 0.68307540931811 0.37570954367923 15.999 > 57 115 O 0.16797270387561 0.81692459068189 0.87570954367923 15.999 > 58 116 O 0.66797270387561 0.81692459068189 0.87570954367923 15.999 > 58 *117 O 0.35553095720602 0.01563284328304 0.35636623113032 15.999 > 59 118 O 0.85553095720602 0.01563284328304 0.35636623113032 15.999 > 59 119 O 0.35553095720602 0.48436715671696 0.85636623113032 15.999 > 60 120 O 0.85553095720602 0.48436715671696 0.85636623113032 15.999 > 60 121 O 0.14446904279398 0.98436715671696 0.64363376886968 15.999 > 61 122 O 0.64446904279398 0.98436715671696 0.64363376886968 15.999 > 61 123 O 0.14446904279398 0.51563284328304 0.14363376886968 15.999 > 62 124 O 0.64446904279398 0.51563284328304 0.14363376886968 15.999 > 62 *125 O 0.07159013872408 0.92975462644878 0.33343568839403 15.999 > 63 126 O 0.57159013872408 0.92975462644878 0.33343568839403 15.999 > 63 127 O 0.07159013872408 0.57024537355122 0.83343568839403 15.999 > 64 128 O 0.57159013872408 0.57024537355122 0.83343568839403 15.999 > 64 129 O 0.42840986127592 0.07024537355122 0.66656431160597 15.999 > 65 130 O 0.92840986127592 0.07024537355122 0.66656431160597 15.999 > 65 131 O 0.42840986127592 0.42975462644878 0.16656431160597 15.999 > 66 132 O 0.92840986127592 0.42975462644878 0.16656431160597 15.999 > 66 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7451624 0.0000000 -0.0351880 0.0000000 2.7652943 0.0000000 -0.0351881 0.0000000 2.7254954 -------------------------- Born effective charges -------------------------- 1 Mg 2.2923736 -0.0887823 0.0697627 0.0959495 1.8924585 -0.1337206 -0.0110853 -0.0082435 2.4525083 2 Mg 2.2923736 0.0887823 0.0697627 -0.0959495 1.8924585 0.1337206 -0.0110853 0.0082435 2.4525083 3 Mg 2.0438755 0.0562964 0.0717936 0.0290819 2.3038271 0.1036329 -0.0301407 -0.0984971 1.8476389 4 Mg 2.0438755 -0.0562964 0.0717936 -0.0290819 2.3038271 -0.1036329 -0.0301407 0.0984971 1.8476389 5 Mg 2.0438755 0.0562964 0.0717936 0.0290819 2.3038271 0.1036329 -0.0301407 -0.0984971 1.8476389 6 Mg 2.0438755 -0.0562964 0.0717936 -0.0290819 2.3038271 -0.1036329 -0.0301407 0.0984971 1.8476389 7 Mg 2.0241520 0.0206364 -0.0172961 -0.0297204 1.9567417 -0.0327223 0.0291936 -0.1181005 2.0998531 8 Mg 2.0241520 -0.0206364 -0.0172961 0.0297204 1.9567417 0.0327223 0.0291936 0.1181005 2.0998531 9 Mg 2.0241520 0.0206364 -0.0172961 -0.0297204 1.9567417 -0.0327223 0.0291936 -0.1181005 2.0998531 10 Mg 2.0241520 -0.0206364 -0.0172961 0.0297204 1.9567417 0.0327223 0.0291936 0.1181005 2.0998531 11 Mg 1.9365626 -0.0205160 -0.0913012 -0.0364532 2.1148434 -0.1570381 -0.0698026 -0.0957485 2.1688299 12 Mg 1.9365626 0.0205160 -0.0913012 0.0364532 2.1148434 0.1570381 -0.0698026 0.0957485 2.1688299 13 Mg 1.9365626 -0.0205160 -0.0913012 -0.0364532 2.1148434 -0.1570381 -0.0698026 -0.0957485 2.1688299 14 Mg 1.9365626 0.0205160 -0.0913012 0.0364532 2.1148434 0.1570381 -0.0698026 0.0957485 2.1688299 15 P 3.4420970 -0.0095427 -0.0274962 -0.0385270 3.1875474 0.0179162 -0.2022043 -0.0524730 3.1103484 16 P 3.4420970 0.0095427 -0.0274962 0.0385270 3.1875474 -0.0179162 -0.2022043 0.0524730 3.1103484 17 P 3.4420970 -0.0095427 -0.0274962 -0.0385270 3.1875474 0.0179162 -0.2022043 -0.0524730 3.1103484 18 P 3.4420970 0.0095427 -0.0274962 0.0385270 3.1875474 -0.0179162 -0.2022043 0.0524730 3.1103484 19 H 0.5418449 -0.1974220 -0.2025443 -0.1384617 0.5426296 0.2038289 -0.1341608 0.1442622 0.5680408 20 H 0.5418449 0.1974220 -0.2025443 0.1384617 0.5426296 -0.2038289 -0.1341608 -0.1442622 0.5680408 21 H 0.5418449 -0.1974220 -0.2025443 -0.1384617 0.5426296 0.2038289 -0.1341608 0.1442622 0.5680408 22 H 0.5418449 0.1974220 -0.2025443 0.1384617 0.5426296 -0.2038289 -0.1341608 -0.1442622 0.5680408 23 H 0.3805776 -0.0035158 -0.0350895 0.0149795 0.5333028 0.0154175 -0.0363625 -0.0138976 0.3673091 24 H 0.3805776 0.0035158 -0.0350895 -0.0149795 0.5333028 -0.0154175 -0.0363625 0.0138976 0.3673091 25 H 0.3805776 -0.0035158 -0.0350895 0.0149795 0.5333028 0.0154175 -0.0363625 -0.0138976 0.3673091 26 H 0.3805776 0.0035158 -0.0350895 -0.0149795 0.5333028 -0.0154175 -0.0363625 0.0138976 0.3673091 27 H 0.4997901 -0.2085225 -0.2549075 -0.1573063 0.5176230 0.2188858 -0.1712537 0.1647058 0.6022238 28 H 0.4997901 0.2085225 -0.2549075 0.1573063 0.5176230 -0.2188858 -0.1712537 -0.1647058 0.6022238 29 H 0.4997901 -0.2085225 -0.2549075 -0.1573063 0.5176230 0.2188858 -0.1712537 0.1647058 0.6022238 30 H 0.4997901 0.2085225 -0.2549075 0.1573063 0.5176230 -0.2188858 -0.1712537 -0.1647058 0.6022238 31 H 0.4445220 -0.0982848 0.0277974 -0.0769674 0.5987480 -0.0986631 0.0345299 -0.1242077 0.3948092 32 H 0.4445220 0.0982848 0.0277974 0.0769674 0.5987480 0.0986631 0.0345299 0.1242077 0.3948092 33 H 0.4445220 -0.0982848 0.0277974 -0.0769674 0.5987480 -0.0986631 0.0345299 -0.1242077 0.3948092 34 H 0.4445220 0.0982848 0.0277974 0.0769674 0.5987480 0.0986631 0.0345299 0.1242077 0.3948092 35 O -1.4482414 0.0840658 0.0762301 0.0556946 -1.4482675 -0.0445471 0.0085232 0.0650992 -1.4581706 36 O -1.4482414 -0.0840658 0.0762301 -0.0556946 -1.4482675 0.0445471 0.0085232 -0.0650992 -1.4581706 37 O -1.4482414 0.0840658 0.0762301 0.0556946 -1.4482675 -0.0445471 0.0085232 0.0650992 -1.4581706 38 O -1.4482414 -0.0840658 0.0762301 -0.0556946 -1.4482675 0.0445471 0.0085232 -0.0650992 -1.4581706 39 O -1.4105292 0.0008708 -0.0400790 0.0024817 -1.3271398 0.1084993 -0.0097215 0.0780127 -2.3753873 40 O -1.4105292 -0.0008708 -0.0400790 -0.0024817 -1.3271398 -0.1084993 -0.0097215 -0.0780127 -2.3753873 41 O -1.4105292 0.0008708 -0.0400790 0.0024817 -1.3271398 0.1084993 -0.0097215 0.0780127 -2.3753873 42 O -1.4105292 -0.0008708 -0.0400790 -0.0024817 -1.3271398 -0.1084993 -0.0097215 -0.0780127 -2.3753873 43 O -1.2821831 -0.0684592 0.1050903 -0.1082642 -1.5003690 -0.0178065 0.1439133 0.0505762 -1.3045838 44 O -1.2821831 0.0684592 0.1050903 0.1082642 -1.5003690 0.0178065 0.1439133 -0.0505762 -1.3045838 45 O -1.2821831 -0.0684592 0.1050903 -0.1082642 -1.5003690 -0.0178065 0.1439133 0.0505762 -1.3045838 46 O -1.2821831 0.0684592 0.1050903 0.1082642 -1.5003690 0.0178065 0.1439133 -0.0505762 -1.3045838 47 O -1.4323345 -0.4705013 0.1114743 -0.4772098 -2.1600162 0.2726568 0.1689714 0.3547669 -1.3462427 48 O -1.4323345 0.4705013 0.1114743 0.4772098 -2.1600162 -0.2726568 0.1689714 -0.3547669 -1.3462427 49 O -1.4323345 -0.4705013 0.1114743 -0.4772098 -2.1600162 0.2726568 0.1689714 0.3547669 -1.3462427 50 O -1.4323345 0.4705013 0.1114743 0.4772098 -2.1600162 -0.2726568 0.1689714 -0.3547669 -1.3462427 51 O -1.4581691 0.1636797 0.0717370 0.1111463 -1.5605377 -0.0803748 0.0058946 -0.0573629 -1.5734721 52 O -1.4581691 -0.1636797 0.0717370 -0.1111463 -1.5605377 0.0803748 0.0058946 0.0573629 -1.5734721 53 O -1.4581691 0.1636797 0.0717370 0.1111463 -1.5605377 -0.0803748 0.0058946 -0.0573629 -1.5734721 54 O -1.4581691 -0.1636797 0.0717370 -0.1111463 -1.5605377 0.0803748 0.0058946 0.0573629 -1.5734721 55 O -1.4545755 -0.0227407 0.0240630 -0.0457122 -1.4014673 0.1071603 -0.0007833 0.1329582 -1.4155632 56 O -1.4545755 0.0227407 0.0240630 0.0457122 -1.4014673 -0.1071603 -0.0007833 -0.1329582 -1.4155632 57 O -1.4545755 -0.0227407 0.0240630 -0.0457122 -1.4014673 0.1071603 -0.0007833 0.1329582 -1.4155632 58 O -1.4545755 0.0227407 0.0240630 0.0457122 -1.4014673 -0.1071603 -0.0007833 -0.1329582 -1.4155632 59 O -1.7097480 0.4963251 0.3118204 0.5083697 -1.8456060 -0.2538029 0.3821006 -0.2430239 -1.4072652 60 O -1.7097480 -0.4963251 0.3118204 -0.5083697 -1.8456060 0.2538029 0.3821006 0.2430239 -1.4072652 61 O -1.7097480 0.4963251 0.3118204 0.5083697 -1.8456060 -0.2538029 0.3821006 -0.2430239 -1.4072652 62 O -1.7097480 -0.4963251 0.3118204 -0.5083697 -1.8456060 0.2538029 0.3821006 0.2430239 -1.4072652 63 O -2.2638278 -0.0851561 -0.1661737 -0.0883744 -1.4580889 -0.0869907 -0.1131549 -0.0550118 -1.5046227 64 O -2.2638278 0.0851561 -0.1661737 0.0883744 -1.4580889 0.0869907 -0.1131549 0.0550118 -1.5046227 65 O -2.2638278 -0.0851561 -0.1661737 -0.0883744 -1.4580889 -0.0869907 -0.1131549 -0.0550118 -1.5046227 66 O -2.2638278 0.0851561 -0.1661737 0.0883744 -1.4580889 0.0869907 -0.1131549 0.0550118 -1.5046227 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 39402/39402 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10008 Number of blocks in projector: 10008 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: 2180 Use submatrix version of eigh solver. (1) Block: 500 / 2180 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2180 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2180 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2180 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2180 / 2180 (1) 159 eigenvectors found. (1) Complementary block size: 131 (1) Compute compressed projector. (1) Use standard solver. (1) 97 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2180 Use submatrix version of eigh solver. (1) Block: 500 / 2180 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2180 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2180 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2180 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2180 / 2180 (1) 159 eigenvectors found. (1) Complementary block size: 131 (1) Compute compressed projector. (1) Use standard solver. (1) 97 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2180 Use submatrix version of eigh solver. (1) Block: 500 / 2180 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2180 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1500 / 2180 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2180 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 2180 / 2180 (1) 171 eigenvectors found. (1) Complementary block size: 115 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1156 Use submatrix version of eigh solver. (1) Block: 500 / 1156 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1156 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1156 / 1156 (1) 140 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1156 Use submatrix version of eigh solver. (1) Block: 500 / 1156 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1156 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1156 / 1156 (1) 140 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1156 Use submatrix version of eigh solver. (1) Block: 500 / 1156 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1156 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1156 / 1156 (1) 140 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. Tree of FC basis block matrices: - (10008, 9856), data: False |-- (1156, 1139), data: False |-- (1156, 29), data: (1156, 46) @ (46, 29) |-- (156, 140), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1156, 1139), data: False |-- (1156, 29), data: (1156, 46) @ (46, 29) |-- (156, 140), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1156, 1139), data: False |-- (1156, 29), data: (1156, 46) @ (46, 29) |-- (156, 140), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2180, 2147), data: False |-- (2180, 82), data: (2180, 115) @ (115, 82) |-- (180, 171), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 21), data: (500, 46) @ (46, 21) |-- (250, 229), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (2180, 2146), data: False |-- (2180, 97), data: (2180, 131) @ (131, 97) |-- (180, 159), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2180, 2146), data: False |-- (2180, 97), data: (2180, 131) @ (131, 97) |-- (180, 159), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2000 - Time: 3.180 Solver_block: 200 / 2000 - Time: 2.767 Solver_block: 300 / 2000 - Time: 2.785 Solver_block: 400 / 2000 - Time: 2.784 Solver_block: 500 / 2000 - Time: 2.778 Solver_block: 600 / 2000 - Time: 2.781 Solver_block: 700 / 2000 - Time: 2.787 Solver_block: 800 / 2000 - Time: 2.782 Solver_block: 900 / 2000 - Time: 2.780 Solver_block: 1000 / 2000 - Time: 2.778 Solver_block: 1100 / 2000 - Time: 2.783 Solver_block: 1200 / 2000 - Time: 2.778 Solver_block: 1300 / 2000 - Time: 2.777 Solver_block: 1400 / 2000 - Time: 2.783 Solver_block: 1500 / 2000 - Time: 2.781 Solver_block: 1600 / 2000 - Time: 2.775 Solver_block: 1700 / 2000 - Time: 2.769 Solver_block: 1800 / 2000 - Time: 2.790 Solver_block: 1900 / 2000 - Time: 2.772 Solver_block: 2000 / 2000 - Time: 2.771 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 57.766 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 39402/39402 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10008 Number of blocks in projector: 10008 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: 2180 Use submatrix version of eigh solver. (1) Block: 500 / 2180 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2180 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2180 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2180 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2180 / 2180 (1) 159 eigenvectors found. (1) Complementary block size: 131 (1) Compute compressed projector. (1) Use standard solver. (1) 97 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2180 Use submatrix version of eigh solver. (1) Block: 500 / 2180 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2180 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2180 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2180 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2180 / 2180 (1) 159 eigenvectors found. (1) Complementary block size: 131 (1) Compute compressed projector. (1) Use standard solver. (1) 97 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2180 Use submatrix version of eigh solver. (1) Block: 500 / 2180 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2180 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1500 / 2180 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2180 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 2180 / 2180 (1) 171 eigenvectors found. (1) Complementary block size: 115 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1156 Use submatrix version of eigh solver. (1) Block: 500 / 1156 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1156 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1156 / 1156 (1) 140 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1156 Use submatrix version of eigh solver. (1) Block: 500 / 1156 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1156 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1156 / 1156 (1) 140 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1156 Use submatrix version of eigh solver. (1) Block: 500 / 1156 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1156 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1156 / 1156 (1) 140 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. Tree of FC basis block matrices: - (10008, 9856), data: False |-- (1156, 1139), data: False |-- (1156, 29), data: (1156, 46) @ (46, 29) |-- (156, 140), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1156, 1139), data: False |-- (1156, 29), data: (1156, 46) @ (46, 29) |-- (156, 140), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1156, 1139), data: False |-- (1156, 29), data: (1156, 46) @ (46, 29) |-- (156, 140), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2180, 2147), data: False |-- (2180, 82), data: (2180, 115) @ (115, 82) |-- (180, 171), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 21), data: (500, 46) @ (46, 21) |-- (250, 229), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (2180, 2146), data: False |-- (2180, 97), data: (2180, 131) @ (131, 97) |-- (180, 159), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2180, 2146), data: False |-- (2180, 97), data: (2180, 131) @ (131, 97) |-- (180, 159), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:04:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:04:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.230366470020996 0.000000000000000 0.000000000000000 b 0.000000000000000 11.626527820000000 0.000000000000000 c -4.210134070960102 0.000000000000000 9.582279550819491 Atomic positions (fractional): 1 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 3 Mg 0.54813138317850 0.32317332021282 0.78768413515154 24.305 4 Mg 0.54813138317850 0.17682667978718 0.28768413515154 24.305 5 Mg 0.45186861682149 0.67682667978718 0.21231586484846 24.305 6 Mg 0.45186861682149 0.82317332021282 0.71231586484846 24.305 7 Mg 0.75515488763504 0.07001094845115 0.00418405689385 24.305 8 Mg 0.75515488763504 0.42998905154885 0.50418405689385 24.305 9 Mg 0.24484511236496 0.92998905154885 0.99581594310615 24.305 10 Mg 0.24484511236496 0.57001094845115 0.49581594310615 24.305 11 Mg 0.24693422630551 0.29091061083965 0.50327284355141 24.305 12 Mg 0.24693422630551 0.20908938916035 0.00327284355141 24.305 13 Mg 0.75306577369449 0.70908938916035 0.49672715644859 24.305 14 Mg 0.75306577369449 0.79091061083965 0.99672715644859 24.305 15 P 0.82192040538901 0.92033166316780 0.28894440511005 30.974 16 P 0.82192040538901 0.57966833683220 0.78894440511005 30.974 17 P 0.17807959461099 0.07966833683221 0.71105559488995 30.974 18 P 0.17807959461099 0.42033166316780 0.21105559488995 30.974 19 H 0.20149635034811 0.47705576397233 0.70009424297471 1.008 20 H 0.20149635034811 0.02294423602767 0.20009424297471 1.008 21 H 0.79850364965189 0.52294423602767 0.29990575702529 1.008 22 H 0.79850364965189 0.97705576397233 0.79990575702529 1.008 23 H 0.85574376590359 0.63118987930093 0.15550023789223 1.008 24 H 0.85574376590359 0.86881012069907 0.65550023789223 1.008 25 H 0.14425623409641 0.36881012069907 0.84449976210777 1.008 26 H 0.14425623409641 0.13118987930093 0.34449976210777 1.008 27 H 0.82057308167557 0.15588141927890 0.80275783053625 1.008 28 H 0.82057308167557 0.34411858072110 0.30275783053625 1.008 29 H 0.17942691832443 0.84411858072110 0.19724216946375 1.008 30 H 0.17942691832443 0.65588141927890 0.69724216946375 1.008 31 H 0.76574010742363 0.24512729109126 0.62752782809173 1.008 32 H 0.76574010742363 0.25487270890874 0.12752782809173 1.008 33 H 0.23425989257637 0.75487270890874 0.37247217190827 1.008 34 H 0.23425989257637 0.74512729109126 0.87247217190827 1.008 35 O 0.83115811214238 0.19841331299170 0.88735761080192 15.999 36 O 0.83115811214238 0.30158668700830 0.38735761080192 15.999 37 O 0.16884188785762 0.80158668700830 0.11264238919808 15.999 38 O 0.16884188785762 0.69841331299170 0.61264238919808 15.999 39 O 0.68557756997878 0.93065664748613 0.12432356413320 15.999 40 O 0.68557756997878 0.56934335251387 0.62432356413320 15.999 41 O 0.31442243002122 0.06934335251387 0.87567643586680 15.999 42 O 0.31442243002122 0.43065664748613 0.37567643586680 15.999 43 O 0.66754361915416 0.65356940143637 0.09038166419524 15.999 44 O 0.66754361915416 0.84643059856363 0.59038166419524 15.999 45 O 0.33245638084584 0.34643059856363 0.90961833580476 15.999 46 O 0.33245638084584 0.15356940143637 0.40961833580476 15.999 47 O 0.75116277017339 0.80094394352786 0.32854900251426 15.999 48 O 0.75116277017339 0.69905605647214 0.82854900251426 15.999 49 O 0.24883722982661 0.19905605647214 0.67145099748574 15.999 50 O 0.24883722982661 0.30094394352786 0.17145099748574 15.999 51 O 0.18815170280800 0.43648008101237 0.61440992265758 15.999 52 O 0.18815170280800 0.06351991898763 0.11440992265758 15.999 53 O 0.81184829719200 0.56351991898763 0.38559007734242 15.999 54 O 0.81184829719200 0.93648008101237 0.88559007734242 15.999 55 O 0.66405459224877 0.31692459068189 0.62429045632077 15.999 56 O 0.66405459224877 0.18307540931811 0.12429045632077 15.999 57 O 0.33594540775123 0.68307540931811 0.37570954367923 15.999 58 O 0.33594540775123 0.81692459068189 0.87570954367923 15.999 59 O 0.71106191441204 0.01563284328304 0.35636623113032 15.999 60 O 0.71106191441204 0.48436715671696 0.85636623113032 15.999 61 O 0.28893808558797 0.98436715671696 0.64363376886968 15.999 62 O 0.28893808558797 0.51563284328304 0.14363376886968 15.999 63 O 0.14318027744816 0.92975462644878 0.33343568839403 15.999 64 O 0.14318027744816 0.57024537355122 0.83343568839403 15.999 65 O 0.85681972255184 0.07024537355122 0.66656431160597 15.999 66 O 0.85681972255184 0.42975462644878 0.16656431160597 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.460732940041993 0.000000000000000 0.000000000000000 b 0.000000000000000 11.626527820000000 0.000000000000000 c -4.210134070960102 0.000000000000000 9.582279550819491 Atomic positions (fractional): 1 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 1 2 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 1 3 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 3 4 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 3 5 Mg 0.27406569158925 0.32317332021282 0.78768413515154 24.305 > 5 6 Mg 0.77406569158925 0.32317332021282 0.78768413515154 24.305 > 5 7 Mg 0.27406569158925 0.17682667978718 0.28768413515154 24.305 > 7 8 Mg 0.77406569158925 0.17682667978718 0.28768413515154 24.305 > 7 9 Mg 0.22593430841075 0.67682667978718 0.21231586484846 24.305 > 9 10 Mg 0.72593430841075 0.67682667978718 0.21231586484846 24.305 > 9 11 Mg 0.22593430841075 0.82317332021282 0.71231586484846 24.305 > 11 12 Mg 0.72593430841075 0.82317332021282 0.71231586484846 24.305 > 11 13 Mg 0.37757744381752 0.07001094845115 0.00418405689385 24.305 > 13 14 Mg 0.87757744381752 0.07001094845115 0.00418405689385 24.305 > 13 15 Mg 0.37757744381752 0.42998905154885 0.50418405689385 24.305 > 15 16 Mg 0.87757744381752 0.42998905154885 0.50418405689385 24.305 > 15 17 Mg 0.12242255618248 0.92998905154885 0.99581594310615 24.305 > 17 18 Mg 0.62242255618248 0.92998905154885 0.99581594310615 24.305 > 17 19 Mg 0.12242255618248 0.57001094845115 0.49581594310615 24.305 > 19 20 Mg 0.62242255618248 0.57001094845115 0.49581594310615 24.305 > 19 21 Mg 0.12346711315275 0.29091061083965 0.50327284355141 24.305 > 21 22 Mg 0.62346711315275 0.29091061083965 0.50327284355141 24.305 > 21 23 Mg 0.12346711315275 0.20908938916035 0.00327284355141 24.305 > 23 24 Mg 0.62346711315275 0.20908938916035 0.00327284355141 24.305 > 23 25 Mg 0.37653288684725 0.70908938916035 0.49672715644859 24.305 > 25 26 Mg 0.87653288684725 0.70908938916035 0.49672715644859 24.305 > 25 27 Mg 0.37653288684725 0.79091061083965 0.99672715644859 24.305 > 27 28 Mg 0.87653288684725 0.79091061083965 0.99672715644859 24.305 > 27 29 P 0.41096020269451 0.92033166316780 0.28894440511005 30.974 > 29 30 P 0.91096020269451 0.92033166316780 0.28894440511005 30.974 > 29 31 P 0.41096020269451 0.57966833683220 0.78894440511005 30.974 > 31 32 P 0.91096020269451 0.57966833683220 0.78894440511005 30.974 > 31 33 P 0.08903979730549 0.07966833683221 0.71105559488995 30.974 > 33 34 P 0.58903979730549 0.07966833683221 0.71105559488995 30.974 > 33 35 P 0.08903979730549 0.42033166316780 0.21105559488995 30.974 > 35 36 P 0.58903979730549 0.42033166316780 0.21105559488995 30.974 > 35 37 H 0.10074817517405 0.47705576397233 0.70009424297471 1.008 > 37 38 H 0.60074817517405 0.47705576397233 0.70009424297471 1.008 > 37 39 H 0.10074817517405 0.02294423602767 0.20009424297471 1.008 > 39 40 H 0.60074817517405 0.02294423602767 0.20009424297471 1.008 > 39 41 H 0.39925182482595 0.52294423602767 0.29990575702529 1.008 > 41 42 H 0.89925182482595 0.52294423602767 0.29990575702529 1.008 > 41 43 H 0.39925182482595 0.97705576397233 0.79990575702529 1.008 > 43 44 H 0.89925182482595 0.97705576397233 0.79990575702529 1.008 > 43 45 H 0.42787188295179 0.63118987930093 0.15550023789223 1.008 > 45 46 H 0.92787188295179 0.63118987930093 0.15550023789223 1.008 > 45 47 H 0.42787188295179 0.86881012069907 0.65550023789223 1.008 > 47 48 H 0.92787188295179 0.86881012069907 0.65550023789223 1.008 > 47 49 H 0.07212811704821 0.36881012069907 0.84449976210777 1.008 > 49 50 H 0.57212811704821 0.36881012069907 0.84449976210777 1.008 > 49 51 H 0.07212811704821 0.13118987930093 0.34449976210777 1.008 > 51 52 H 0.57212811704821 0.13118987930093 0.34449976210777 1.008 > 51 53 H 0.41028654083779 0.15588141927890 0.80275783053625 1.008 > 53 54 H 0.91028654083779 0.15588141927890 0.80275783053625 1.008 > 53 55 H 0.41028654083779 0.34411858072110 0.30275783053625 1.008 > 55 56 H 0.91028654083779 0.34411858072110 0.30275783053625 1.008 > 55 57 H 0.08971345916221 0.84411858072110 0.19724216946375 1.008 > 57 58 H 0.58971345916221 0.84411858072110 0.19724216946375 1.008 > 57 59 H 0.08971345916221 0.65588141927890 0.69724216946375 1.008 > 59 60 H 0.58971345916221 0.65588141927890 0.69724216946375 1.008 > 59 61 H 0.38287005371181 0.24512729109126 0.62752782809173 1.008 > 61 62 H 0.88287005371182 0.24512729109126 0.62752782809173 1.008 > 61 63 H 0.38287005371181 0.25487270890874 0.12752782809173 1.008 > 63 64 H 0.88287005371182 0.25487270890874 0.12752782809173 1.008 > 63 65 H 0.11712994628819 0.75487270890874 0.37247217190827 1.008 > 65 66 H 0.61712994628818 0.75487270890874 0.37247217190827 1.008 > 65 67 H 0.11712994628819 0.74512729109126 0.87247217190827 1.008 > 67 68 H 0.61712994628818 0.74512729109126 0.87247217190827 1.008 > 67 69 O 0.41557905607119 0.19841331299170 0.88735761080192 15.999 > 69 70 O 0.91557905607119 0.19841331299170 0.88735761080192 15.999 > 69 71 O 0.41557905607119 0.30158668700830 0.38735761080192 15.999 > 71 72 O 0.91557905607119 0.30158668700830 0.38735761080192 15.999 > 71 73 O 0.08442094392881 0.80158668700830 0.11264238919808 15.999 > 73 74 O 0.58442094392881 0.80158668700830 0.11264238919808 15.999 > 73 75 O 0.08442094392881 0.69841331299170 0.61264238919808 15.999 > 75 76 O 0.58442094392881 0.69841331299170 0.61264238919808 15.999 > 75 77 O 0.34278878498939 0.93065664748613 0.12432356413320 15.999 > 77 78 O 0.84278878498939 0.93065664748613 0.12432356413320 15.999 > 77 79 O 0.34278878498939 0.56934335251387 0.62432356413320 15.999 > 79 80 O 0.84278878498939 0.56934335251387 0.62432356413320 15.999 > 79 81 O 0.15721121501061 0.06934335251387 0.87567643586680 15.999 > 81 82 O 0.65721121501061 0.06934335251387 0.87567643586680 15.999 > 81 83 O 0.15721121501061 0.43065664748613 0.37567643586680 15.999 > 83 84 O 0.65721121501061 0.43065664748613 0.37567643586680 15.999 > 83 85 O 0.33377180957708 0.65356940143637 0.09038166419524 15.999 > 85 86 O 0.83377180957708 0.65356940143637 0.09038166419524 15.999 > 85 87 O 0.33377180957708 0.84643059856363 0.59038166419524 15.999 > 87 88 O 0.83377180957708 0.84643059856363 0.59038166419524 15.999 > 87 89 O 0.16622819042292 0.34643059856363 0.90961833580476 15.999 > 89 90 O 0.66622819042292 0.34643059856363 0.90961833580476 15.999 > 89 91 O 0.16622819042292 0.15356940143637 0.40961833580476 15.999 > 91 92 O 0.66622819042292 0.15356940143637 0.40961833580476 15.999 > 91 93 O 0.37558138508670 0.80094394352786 0.32854900251426 15.999 > 93 94 O 0.87558138508670 0.80094394352786 0.32854900251426 15.999 > 93 95 O 0.37558138508670 0.69905605647214 0.82854900251426 15.999 > 95 96 O 0.87558138508670 0.69905605647214 0.82854900251426 15.999 > 95 97 O 0.12441861491330 0.19905605647214 0.67145099748574 15.999 > 97 98 O 0.62441861491330 0.19905605647214 0.67145099748574 15.999 > 97 99 O 0.12441861491330 0.30094394352786 0.17145099748574 15.999 > 99 100 O 0.62441861491330 0.30094394352786 0.17145099748574 15.999 > 99 101 O 0.09407585140400 0.43648008101237 0.61440992265758 15.999 > 101 102 O 0.59407585140400 0.43648008101237 0.61440992265758 15.999 > 101 103 O 0.09407585140400 0.06351991898763 0.11440992265758 15.999 > 103 104 O 0.59407585140400 0.06351991898763 0.11440992265758 15.999 > 103 105 O 0.40592414859600 0.56351991898763 0.38559007734242 15.999 > 105 106 O 0.90592414859600 0.56351991898763 0.38559007734242 15.999 > 105 107 O 0.40592414859600 0.93648008101237 0.88559007734242 15.999 > 107 108 O 0.90592414859600 0.93648008101237 0.88559007734242 15.999 > 107 109 O 0.33202729612439 0.31692459068189 0.62429045632077 15.999 > 109 110 O 0.83202729612439 0.31692459068189 0.62429045632077 15.999 > 109 111 O 0.33202729612439 0.18307540931811 0.12429045632077 15.999 > 111 112 O 0.83202729612439 0.18307540931811 0.12429045632077 15.999 > 111 113 O 0.16797270387561 0.68307540931811 0.37570954367923 15.999 > 113 114 O 0.66797270387561 0.68307540931811 0.37570954367923 15.999 > 113 115 O 0.16797270387561 0.81692459068189 0.87570954367923 15.999 > 115 116 O 0.66797270387561 0.81692459068189 0.87570954367923 15.999 > 115 117 O 0.35553095720602 0.01563284328304 0.35636623113032 15.999 > 117 118 O 0.85553095720602 0.01563284328304 0.35636623113032 15.999 > 117 119 O 0.35553095720602 0.48436715671696 0.85636623113032 15.999 > 119 120 O 0.85553095720602 0.48436715671696 0.85636623113032 15.999 > 119 121 O 0.14446904279398 0.98436715671696 0.64363376886968 15.999 > 121 122 O 0.64446904279398 0.98436715671696 0.64363376886968 15.999 > 121 123 O 0.14446904279398 0.51563284328304 0.14363376886968 15.999 > 123 124 O 0.64446904279398 0.51563284328304 0.14363376886968 15.999 > 123 125 O 0.07159013872408 0.92975462644878 0.33343568839403 15.999 > 125 126 O 0.57159013872408 0.92975462644878 0.33343568839403 15.999 > 125 127 O 0.07159013872408 0.57024537355122 0.83343568839403 15.999 > 127 128 O 0.57159013872408 0.57024537355122 0.83343568839403 15.999 > 127 129 O 0.42840986127592 0.07024537355122 0.66656431160597 15.999 > 129 130 O 0.92840986127592 0.07024537355122 0.66656431160597 15.999 > 129 131 O 0.42840986127592 0.42975462644878 0.16656431160597 15.999 > 131 132 O 0.92840986127592 0.42975462644878 0.16656431160597 15.999 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7451624 0.0000000 -0.0351880 0.0000000 2.7652943 0.0000000 -0.0351881 0.0000000 2.7254954 -------------------------- Born effective charges -------------------------- 1 Mg 2.2923736 -0.0887823 0.0697627 0.0959495 1.8924585 -0.1337206 -0.0110853 -0.0082435 2.4525083 2 Mg 2.2923736 0.0887823 0.0697627 -0.0959495 1.8924585 0.1337206 -0.0110853 0.0082435 2.4525083 3 Mg 2.0438755 0.0562964 0.0717936 0.0290819 2.3038271 0.1036329 -0.0301407 -0.0984971 1.8476389 4 Mg 2.0438755 -0.0562964 0.0717936 -0.0290819 2.3038271 -0.1036329 -0.0301407 0.0984971 1.8476389 5 Mg 2.0438755 0.0562964 0.0717936 0.0290819 2.3038271 0.1036329 -0.0301407 -0.0984971 1.8476389 6 Mg 2.0438755 -0.0562964 0.0717936 -0.0290819 2.3038271 -0.1036329 -0.0301407 0.0984971 1.8476389 7 Mg 2.0241520 0.0206364 -0.0172961 -0.0297204 1.9567417 -0.0327223 0.0291936 -0.1181005 2.0998531 8 Mg 2.0241520 -0.0206364 -0.0172961 0.0297204 1.9567417 0.0327223 0.0291936 0.1181005 2.0998531 9 Mg 2.0241520 0.0206364 -0.0172961 -0.0297204 1.9567417 -0.0327223 0.0291936 -0.1181005 2.0998531 10 Mg 2.0241520 -0.0206364 -0.0172961 0.0297204 1.9567417 0.0327223 0.0291936 0.1181005 2.0998531 11 Mg 1.9365626 -0.0205160 -0.0913012 -0.0364532 2.1148434 -0.1570381 -0.0698026 -0.0957485 2.1688299 12 Mg 1.9365626 0.0205160 -0.0913012 0.0364532 2.1148434 0.1570381 -0.0698026 0.0957485 2.1688299 13 Mg 1.9365626 -0.0205160 -0.0913012 -0.0364532 2.1148434 -0.1570381 -0.0698026 -0.0957485 2.1688299 14 Mg 1.9365626 0.0205160 -0.0913012 0.0364532 2.1148434 0.1570381 -0.0698026 0.0957485 2.1688299 15 P 3.4420970 -0.0095427 -0.0274962 -0.0385270 3.1875474 0.0179162 -0.2022043 -0.0524730 3.1103484 16 P 3.4420970 0.0095427 -0.0274962 0.0385270 3.1875474 -0.0179162 -0.2022043 0.0524730 3.1103484 17 P 3.4420970 -0.0095427 -0.0274962 -0.0385270 3.1875474 0.0179162 -0.2022043 -0.0524730 3.1103484 18 P 3.4420970 0.0095427 -0.0274962 0.0385270 3.1875474 -0.0179162 -0.2022043 0.0524730 3.1103484 19 H 0.5418449 -0.1974220 -0.2025443 -0.1384617 0.5426296 0.2038289 -0.1341608 0.1442622 0.5680408 20 H 0.5418449 0.1974220 -0.2025443 0.1384617 0.5426296 -0.2038289 -0.1341608 -0.1442622 0.5680408 21 H 0.5418449 -0.1974220 -0.2025443 -0.1384617 0.5426296 0.2038289 -0.1341608 0.1442622 0.5680408 22 H 0.5418449 0.1974220 -0.2025443 0.1384617 0.5426296 -0.2038289 -0.1341608 -0.1442622 0.5680408 23 H 0.3805776 -0.0035158 -0.0350895 0.0149795 0.5333028 0.0154175 -0.0363625 -0.0138976 0.3673091 24 H 0.3805776 0.0035158 -0.0350895 -0.0149795 0.5333028 -0.0154175 -0.0363625 0.0138976 0.3673091 25 H 0.3805776 -0.0035158 -0.0350895 0.0149795 0.5333028 0.0154175 -0.0363625 -0.0138976 0.3673091 26 H 0.3805776 0.0035158 -0.0350895 -0.0149795 0.5333028 -0.0154175 -0.0363625 0.0138976 0.3673091 27 H 0.4997901 -0.2085225 -0.2549075 -0.1573063 0.5176230 0.2188858 -0.1712537 0.1647058 0.6022238 28 H 0.4997901 0.2085225 -0.2549075 0.1573063 0.5176230 -0.2188858 -0.1712537 -0.1647058 0.6022238 29 H 0.4997901 -0.2085225 -0.2549075 -0.1573063 0.5176230 0.2188858 -0.1712537 0.1647058 0.6022238 30 H 0.4997901 0.2085225 -0.2549075 0.1573063 0.5176230 -0.2188858 -0.1712537 -0.1647058 0.6022238 31 H 0.4445220 -0.0982848 0.0277974 -0.0769674 0.5987480 -0.0986631 0.0345299 -0.1242077 0.3948092 32 H 0.4445220 0.0982848 0.0277974 0.0769674 0.5987480 0.0986631 0.0345299 0.1242077 0.3948092 33 H 0.4445220 -0.0982848 0.0277974 -0.0769674 0.5987480 -0.0986631 0.0345299 -0.1242077 0.3948092 34 H 0.4445220 0.0982848 0.0277974 0.0769674 0.5987480 0.0986631 0.0345299 0.1242077 0.3948092 35 O -1.4482414 0.0840658 0.0762301 0.0556946 -1.4482675 -0.0445471 0.0085232 0.0650992 -1.4581706 36 O -1.4482414 -0.0840658 0.0762301 -0.0556946 -1.4482675 0.0445471 0.0085232 -0.0650992 -1.4581706 37 O -1.4482414 0.0840658 0.0762301 0.0556946 -1.4482675 -0.0445471 0.0085232 0.0650992 -1.4581706 38 O -1.4482414 -0.0840658 0.0762301 -0.0556946 -1.4482675 0.0445471 0.0085232 -0.0650992 -1.4581706 39 O -1.4105292 0.0008708 -0.0400790 0.0024817 -1.3271398 0.1084993 -0.0097215 0.0780127 -2.3753873 40 O -1.4105292 -0.0008708 -0.0400790 -0.0024817 -1.3271398 -0.1084993 -0.0097215 -0.0780127 -2.3753873 41 O -1.4105292 0.0008708 -0.0400790 0.0024817 -1.3271398 0.1084993 -0.0097215 0.0780127 -2.3753873 42 O -1.4105292 -0.0008708 -0.0400790 -0.0024817 -1.3271398 -0.1084993 -0.0097215 -0.0780127 -2.3753873 43 O -1.2821831 -0.0684592 0.1050903 -0.1082642 -1.5003690 -0.0178065 0.1439133 0.0505762 -1.3045838 44 O -1.2821831 0.0684592 0.1050903 0.1082642 -1.5003690 0.0178065 0.1439133 -0.0505762 -1.3045838 45 O -1.2821831 -0.0684592 0.1050903 -0.1082642 -1.5003690 -0.0178065 0.1439133 0.0505762 -1.3045838 46 O -1.2821831 0.0684592 0.1050903 0.1082642 -1.5003690 0.0178065 0.1439133 -0.0505762 -1.3045838 47 O -1.4323345 -0.4705013 0.1114743 -0.4772098 -2.1600162 0.2726568 0.1689714 0.3547669 -1.3462427 48 O -1.4323345 0.4705013 0.1114743 0.4772098 -2.1600162 -0.2726568 0.1689714 -0.3547669 -1.3462427 49 O -1.4323345 -0.4705013 0.1114743 -0.4772098 -2.1600162 0.2726568 0.1689714 0.3547669 -1.3462427 50 O -1.4323345 0.4705013 0.1114743 0.4772098 -2.1600162 -0.2726568 0.1689714 -0.3547669 -1.3462427 51 O -1.4581691 0.1636797 0.0717370 0.1111463 -1.5605377 -0.0803748 0.0058946 -0.0573629 -1.5734721 52 O -1.4581691 -0.1636797 0.0717370 -0.1111463 -1.5605377 0.0803748 0.0058946 0.0573629 -1.5734721 53 O -1.4581691 0.1636797 0.0717370 0.1111463 -1.5605377 -0.0803748 0.0058946 -0.0573629 -1.5734721 54 O -1.4581691 -0.1636797 0.0717370 -0.1111463 -1.5605377 0.0803748 0.0058946 0.0573629 -1.5734721 55 O -1.4545755 -0.0227407 0.0240630 -0.0457122 -1.4014673 0.1071603 -0.0007833 0.1329582 -1.4155632 56 O -1.4545755 0.0227407 0.0240630 0.0457122 -1.4014673 -0.1071603 -0.0007833 -0.1329582 -1.4155632 57 O -1.4545755 -0.0227407 0.0240630 -0.0457122 -1.4014673 0.1071603 -0.0007833 0.1329582 -1.4155632 58 O -1.4545755 0.0227407 0.0240630 0.0457122 -1.4014673 -0.1071603 -0.0007833 -0.1329582 -1.4155632 59 O -1.7097480 0.4963251 0.3118204 0.5083697 -1.8456060 -0.2538029 0.3821006 -0.2430239 -1.4072652 60 O -1.7097480 -0.4963251 0.3118204 -0.5083697 -1.8456060 0.2538029 0.3821006 0.2430239 -1.4072652 61 O -1.7097480 0.4963251 0.3118204 0.5083697 -1.8456060 -0.2538029 0.3821006 -0.2430239 -1.4072652 62 O -1.7097480 -0.4963251 0.3118204 -0.5083697 -1.8456060 0.2538029 0.3821006 0.2430239 -1.4072652 63 O -2.2638278 -0.0851561 -0.1661737 -0.0883744 -1.4580889 -0.0869907 -0.1131549 -0.0550118 -1.5046227 64 O -2.2638278 0.0851561 -0.1661737 0.0883744 -1.4580889 0.0869907 -0.1131549 0.0550118 -1.5046227 65 O -2.2638278 -0.0851561 -0.1661737 -0.0883744 -1.4580889 -0.0869907 -0.1131549 -0.0550118 -1.5046227 66 O -2.2638278 0.0851561 -0.1661737 0.0883744 -1.4580889 0.0869907 -0.1131549 0.0550118 -1.5046227 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 37, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 53, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 77, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 93, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 101, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 109, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 117, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 125, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:05:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:05:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.230366470020996 0.000000000000000 0.000000000000000 b 0.000000000000000 11.626527820000000 0.000000000000000 c -4.210134070960102 0.000000000000000 9.582279550819491 Atomic positions (fractional): 1 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 3 Mg 0.54813138317850 0.32317332021282 0.78768413515154 24.305 4 Mg 0.54813138317850 0.17682667978718 0.28768413515154 24.305 5 Mg 0.45186861682149 0.67682667978718 0.21231586484846 24.305 6 Mg 0.45186861682149 0.82317332021282 0.71231586484846 24.305 7 Mg 0.75515488763504 0.07001094845115 0.00418405689385 24.305 8 Mg 0.75515488763504 0.42998905154885 0.50418405689385 24.305 9 Mg 0.24484511236496 0.92998905154885 0.99581594310615 24.305 10 Mg 0.24484511236496 0.57001094845115 0.49581594310615 24.305 11 Mg 0.24693422630551 0.29091061083965 0.50327284355141 24.305 12 Mg 0.24693422630551 0.20908938916035 0.00327284355141 24.305 13 Mg 0.75306577369449 0.70908938916035 0.49672715644859 24.305 14 Mg 0.75306577369449 0.79091061083965 0.99672715644859 24.305 15 P 0.82192040538901 0.92033166316780 0.28894440511005 30.974 16 P 0.82192040538901 0.57966833683220 0.78894440511005 30.974 17 P 0.17807959461099 0.07966833683221 0.71105559488995 30.974 18 P 0.17807959461099 0.42033166316780 0.21105559488995 30.974 19 H 0.20149635034811 0.47705576397233 0.70009424297471 1.008 20 H 0.20149635034811 0.02294423602767 0.20009424297471 1.008 21 H 0.79850364965189 0.52294423602767 0.29990575702529 1.008 22 H 0.79850364965189 0.97705576397233 0.79990575702529 1.008 23 H 0.85574376590359 0.63118987930093 0.15550023789223 1.008 24 H 0.85574376590359 0.86881012069907 0.65550023789223 1.008 25 H 0.14425623409641 0.36881012069907 0.84449976210777 1.008 26 H 0.14425623409641 0.13118987930093 0.34449976210777 1.008 27 H 0.82057308167557 0.15588141927890 0.80275783053625 1.008 28 H 0.82057308167557 0.34411858072110 0.30275783053625 1.008 29 H 0.17942691832443 0.84411858072110 0.19724216946375 1.008 30 H 0.17942691832443 0.65588141927890 0.69724216946375 1.008 31 H 0.76574010742363 0.24512729109126 0.62752782809173 1.008 32 H 0.76574010742363 0.25487270890874 0.12752782809173 1.008 33 H 0.23425989257637 0.75487270890874 0.37247217190827 1.008 34 H 0.23425989257637 0.74512729109126 0.87247217190827 1.008 35 O 0.83115811214238 0.19841331299170 0.88735761080192 15.999 36 O 0.83115811214238 0.30158668700830 0.38735761080192 15.999 37 O 0.16884188785762 0.80158668700830 0.11264238919808 15.999 38 O 0.16884188785762 0.69841331299170 0.61264238919808 15.999 39 O 0.68557756997878 0.93065664748613 0.12432356413320 15.999 40 O 0.68557756997878 0.56934335251387 0.62432356413320 15.999 41 O 0.31442243002122 0.06934335251387 0.87567643586680 15.999 42 O 0.31442243002122 0.43065664748613 0.37567643586680 15.999 43 O 0.66754361915416 0.65356940143637 0.09038166419524 15.999 44 O 0.66754361915416 0.84643059856363 0.59038166419524 15.999 45 O 0.33245638084584 0.34643059856363 0.90961833580476 15.999 46 O 0.33245638084584 0.15356940143637 0.40961833580476 15.999 47 O 0.75116277017339 0.80094394352786 0.32854900251426 15.999 48 O 0.75116277017339 0.69905605647214 0.82854900251426 15.999 49 O 0.24883722982661 0.19905605647214 0.67145099748574 15.999 50 O 0.24883722982661 0.30094394352786 0.17145099748574 15.999 51 O 0.18815170280800 0.43648008101237 0.61440992265758 15.999 52 O 0.18815170280800 0.06351991898763 0.11440992265758 15.999 53 O 0.81184829719200 0.56351991898763 0.38559007734242 15.999 54 O 0.81184829719200 0.93648008101237 0.88559007734242 15.999 55 O 0.66405459224877 0.31692459068189 0.62429045632077 15.999 56 O 0.66405459224877 0.18307540931811 0.12429045632077 15.999 57 O 0.33594540775123 0.68307540931811 0.37570954367923 15.999 58 O 0.33594540775123 0.81692459068189 0.87570954367923 15.999 59 O 0.71106191441204 0.01563284328304 0.35636623113032 15.999 60 O 0.71106191441204 0.48436715671696 0.85636623113032 15.999 61 O 0.28893808558797 0.98436715671696 0.64363376886968 15.999 62 O 0.28893808558797 0.51563284328304 0.14363376886968 15.999 63 O 0.14318027744816 0.92975462644878 0.33343568839403 15.999 64 O 0.14318027744816 0.57024537355122 0.83343568839403 15.999 65 O 0.85681972255184 0.07024537355122 0.66656431160597 15.999 66 O 0.85681972255184 0.42975462644878 0.16656431160597 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.460732940041993 0.000000000000000 0.000000000000000 b 0.000000000000000 11.626527820000000 0.000000000000000 c -4.210134070960102 0.000000000000000 9.582279550819491 Atomic positions (fractional): 1 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 1 2 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 1 3 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 3 4 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 3 5 Mg 0.27406569158925 0.32317332021282 0.78768413515154 24.305 > 5 6 Mg 0.77406569158925 0.32317332021282 0.78768413515154 24.305 > 5 7 Mg 0.27406569158925 0.17682667978718 0.28768413515154 24.305 > 7 8 Mg 0.77406569158925 0.17682667978718 0.28768413515154 24.305 > 7 9 Mg 0.22593430841075 0.67682667978718 0.21231586484846 24.305 > 9 10 Mg 0.72593430841075 0.67682667978718 0.21231586484846 24.305 > 9 11 Mg 0.22593430841075 0.82317332021282 0.71231586484846 24.305 > 11 12 Mg 0.72593430841075 0.82317332021282 0.71231586484846 24.305 > 11 13 Mg 0.37757744381752 0.07001094845115 0.00418405689385 24.305 > 13 14 Mg 0.87757744381752 0.07001094845115 0.00418405689385 24.305 > 13 15 Mg 0.37757744381752 0.42998905154885 0.50418405689385 24.305 > 15 16 Mg 0.87757744381752 0.42998905154885 0.50418405689385 24.305 > 15 17 Mg 0.12242255618248 0.92998905154885 0.99581594310615 24.305 > 17 18 Mg 0.62242255618248 0.92998905154885 0.99581594310615 24.305 > 17 19 Mg 0.12242255618248 0.57001094845115 0.49581594310615 24.305 > 19 20 Mg 0.62242255618248 0.57001094845115 0.49581594310615 24.305 > 19 21 Mg 0.12346711315275 0.29091061083965 0.50327284355141 24.305 > 21 22 Mg 0.62346711315275 0.29091061083965 0.50327284355141 24.305 > 21 23 Mg 0.12346711315275 0.20908938916035 0.00327284355141 24.305 > 23 24 Mg 0.62346711315275 0.20908938916035 0.00327284355141 24.305 > 23 25 Mg 0.37653288684725 0.70908938916035 0.49672715644859 24.305 > 25 26 Mg 0.87653288684725 0.70908938916035 0.49672715644859 24.305 > 25 27 Mg 0.37653288684725 0.79091061083965 0.99672715644859 24.305 > 27 28 Mg 0.87653288684725 0.79091061083965 0.99672715644859 24.305 > 27 29 P 0.41096020269451 0.92033166316780 0.28894440511005 30.974 > 29 30 P 0.91096020269451 0.92033166316780 0.28894440511005 30.974 > 29 31 P 0.41096020269451 0.57966833683220 0.78894440511005 30.974 > 31 32 P 0.91096020269451 0.57966833683220 0.78894440511005 30.974 > 31 33 P 0.08903979730549 0.07966833683221 0.71105559488995 30.974 > 33 34 P 0.58903979730549 0.07966833683221 0.71105559488995 30.974 > 33 35 P 0.08903979730549 0.42033166316780 0.21105559488995 30.974 > 35 36 P 0.58903979730549 0.42033166316780 0.21105559488995 30.974 > 35 37 H 0.10074817517405 0.47705576397233 0.70009424297471 1.008 > 37 38 H 0.60074817517405 0.47705576397233 0.70009424297471 1.008 > 37 39 H 0.10074817517405 0.02294423602767 0.20009424297471 1.008 > 39 40 H 0.60074817517405 0.02294423602767 0.20009424297471 1.008 > 39 41 H 0.39925182482595 0.52294423602767 0.29990575702529 1.008 > 41 42 H 0.89925182482595 0.52294423602767 0.29990575702529 1.008 > 41 43 H 0.39925182482595 0.97705576397233 0.79990575702529 1.008 > 43 44 H 0.89925182482595 0.97705576397233 0.79990575702529 1.008 > 43 45 H 0.42787188295179 0.63118987930093 0.15550023789223 1.008 > 45 46 H 0.92787188295179 0.63118987930093 0.15550023789223 1.008 > 45 47 H 0.42787188295179 0.86881012069907 0.65550023789223 1.008 > 47 48 H 0.92787188295179 0.86881012069907 0.65550023789223 1.008 > 47 49 H 0.07212811704821 0.36881012069907 0.84449976210777 1.008 > 49 50 H 0.57212811704821 0.36881012069907 0.84449976210777 1.008 > 49 51 H 0.07212811704821 0.13118987930093 0.34449976210777 1.008 > 51 52 H 0.57212811704821 0.13118987930093 0.34449976210777 1.008 > 51 53 H 0.41028654083779 0.15588141927890 0.80275783053625 1.008 > 53 54 H 0.91028654083779 0.15588141927890 0.80275783053625 1.008 > 53 55 H 0.41028654083779 0.34411858072110 0.30275783053625 1.008 > 55 56 H 0.91028654083779 0.34411858072110 0.30275783053625 1.008 > 55 57 H 0.08971345916221 0.84411858072110 0.19724216946375 1.008 > 57 58 H 0.58971345916221 0.84411858072110 0.19724216946375 1.008 > 57 59 H 0.08971345916221 0.65588141927890 0.69724216946375 1.008 > 59 60 H 0.58971345916221 0.65588141927890 0.69724216946375 1.008 > 59 61 H 0.38287005371181 0.24512729109126 0.62752782809173 1.008 > 61 62 H 0.88287005371182 0.24512729109126 0.62752782809173 1.008 > 61 63 H 0.38287005371181 0.25487270890874 0.12752782809173 1.008 > 63 64 H 0.88287005371182 0.25487270890874 0.12752782809173 1.008 > 63 65 H 0.11712994628819 0.75487270890874 0.37247217190827 1.008 > 65 66 H 0.61712994628818 0.75487270890874 0.37247217190827 1.008 > 65 67 H 0.11712994628819 0.74512729109126 0.87247217190827 1.008 > 67 68 H 0.61712994628818 0.74512729109126 0.87247217190827 1.008 > 67 69 O 0.41557905607119 0.19841331299170 0.88735761080192 15.999 > 69 70 O 0.91557905607119 0.19841331299170 0.88735761080192 15.999 > 69 71 O 0.41557905607119 0.30158668700830 0.38735761080192 15.999 > 71 72 O 0.91557905607119 0.30158668700830 0.38735761080192 15.999 > 71 73 O 0.08442094392881 0.80158668700830 0.11264238919808 15.999 > 73 74 O 0.58442094392881 0.80158668700830 0.11264238919808 15.999 > 73 75 O 0.08442094392881 0.69841331299170 0.61264238919808 15.999 > 75 76 O 0.58442094392881 0.69841331299170 0.61264238919808 15.999 > 75 77 O 0.34278878498939 0.93065664748613 0.12432356413320 15.999 > 77 78 O 0.84278878498939 0.93065664748613 0.12432356413320 15.999 > 77 79 O 0.34278878498939 0.56934335251387 0.62432356413320 15.999 > 79 80 O 0.84278878498939 0.56934335251387 0.62432356413320 15.999 > 79 81 O 0.15721121501061 0.06934335251387 0.87567643586680 15.999 > 81 82 O 0.65721121501061 0.06934335251387 0.87567643586680 15.999 > 81 83 O 0.15721121501061 0.43065664748613 0.37567643586680 15.999 > 83 84 O 0.65721121501061 0.43065664748613 0.37567643586680 15.999 > 83 85 O 0.33377180957708 0.65356940143637 0.09038166419524 15.999 > 85 86 O 0.83377180957708 0.65356940143637 0.09038166419524 15.999 > 85 87 O 0.33377180957708 0.84643059856363 0.59038166419524 15.999 > 87 88 O 0.83377180957708 0.84643059856363 0.59038166419524 15.999 > 87 89 O 0.16622819042292 0.34643059856363 0.90961833580476 15.999 > 89 90 O 0.66622819042292 0.34643059856363 0.90961833580476 15.999 > 89 91 O 0.16622819042292 0.15356940143637 0.40961833580476 15.999 > 91 92 O 0.66622819042292 0.15356940143637 0.40961833580476 15.999 > 91 93 O 0.37558138508670 0.80094394352786 0.32854900251426 15.999 > 93 94 O 0.87558138508670 0.80094394352786 0.32854900251426 15.999 > 93 95 O 0.37558138508670 0.69905605647214 0.82854900251426 15.999 > 95 96 O 0.87558138508670 0.69905605647214 0.82854900251426 15.999 > 95 97 O 0.12441861491330 0.19905605647214 0.67145099748574 15.999 > 97 98 O 0.62441861491330 0.19905605647214 0.67145099748574 15.999 > 97 99 O 0.12441861491330 0.30094394352786 0.17145099748574 15.999 > 99 100 O 0.62441861491330 0.30094394352786 0.17145099748574 15.999 > 99 101 O 0.09407585140400 0.43648008101237 0.61440992265758 15.999 > 101 102 O 0.59407585140400 0.43648008101237 0.61440992265758 15.999 > 101 103 O 0.09407585140400 0.06351991898763 0.11440992265758 15.999 > 103 104 O 0.59407585140400 0.06351991898763 0.11440992265758 15.999 > 103 105 O 0.40592414859600 0.56351991898763 0.38559007734242 15.999 > 105 106 O 0.90592414859600 0.56351991898763 0.38559007734242 15.999 > 105 107 O 0.40592414859600 0.93648008101237 0.88559007734242 15.999 > 107 108 O 0.90592414859600 0.93648008101237 0.88559007734242 15.999 > 107 109 O 0.33202729612439 0.31692459068189 0.62429045632077 15.999 > 109 110 O 0.83202729612439 0.31692459068189 0.62429045632077 15.999 > 109 111 O 0.33202729612439 0.18307540931811 0.12429045632077 15.999 > 111 112 O 0.83202729612439 0.18307540931811 0.12429045632077 15.999 > 111 113 O 0.16797270387561 0.68307540931811 0.37570954367923 15.999 > 113 114 O 0.66797270387561 0.68307540931811 0.37570954367923 15.999 > 113 115 O 0.16797270387561 0.81692459068189 0.87570954367923 15.999 > 115 116 O 0.66797270387561 0.81692459068189 0.87570954367923 15.999 > 115 117 O 0.35553095720602 0.01563284328304 0.35636623113032 15.999 > 117 118 O 0.85553095720602 0.01563284328304 0.35636623113032 15.999 > 117 119 O 0.35553095720602 0.48436715671696 0.85636623113032 15.999 > 119 120 O 0.85553095720602 0.48436715671696 0.85636623113032 15.999 > 119 121 O 0.14446904279398 0.98436715671696 0.64363376886968 15.999 > 121 122 O 0.64446904279398 0.98436715671696 0.64363376886968 15.999 > 121 123 O 0.14446904279398 0.51563284328304 0.14363376886968 15.999 > 123 124 O 0.64446904279398 0.51563284328304 0.14363376886968 15.999 > 123 125 O 0.07159013872408 0.92975462644878 0.33343568839403 15.999 > 125 126 O 0.57159013872408 0.92975462644878 0.33343568839403 15.999 > 125 127 O 0.07159013872408 0.57024537355122 0.83343568839403 15.999 > 127 128 O 0.57159013872408 0.57024537355122 0.83343568839403 15.999 > 127 129 O 0.42840986127592 0.07024537355122 0.66656431160597 15.999 > 129 130 O 0.92840986127592 0.07024537355122 0.66656431160597 15.999 > 129 131 O 0.42840986127592 0.42975462644878 0.16656431160597 15.999 > 131 132 O 0.92840986127592 0.42975462644878 0.16656431160597 15.999 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7451624 0.0000000 -0.0351880 0.0000000 2.7652943 0.0000000 -0.0351881 0.0000000 2.7254954 -------------------------- Born effective charges -------------------------- 1 Mg 2.2923736 -0.0887823 0.0697627 0.0959495 1.8924585 -0.1337206 -0.0110853 -0.0082435 2.4525083 2 Mg 2.2923736 0.0887823 0.0697627 -0.0959495 1.8924585 0.1337206 -0.0110853 0.0082435 2.4525083 3 Mg 2.0438755 0.0562964 0.0717936 0.0290819 2.3038271 0.1036329 -0.0301407 -0.0984971 1.8476389 4 Mg 2.0438755 -0.0562964 0.0717936 -0.0290819 2.3038271 -0.1036329 -0.0301407 0.0984971 1.8476389 5 Mg 2.0438755 0.0562964 0.0717936 0.0290819 2.3038271 0.1036329 -0.0301407 -0.0984971 1.8476389 6 Mg 2.0438755 -0.0562964 0.0717936 -0.0290819 2.3038271 -0.1036329 -0.0301407 0.0984971 1.8476389 7 Mg 2.0241520 0.0206364 -0.0172961 -0.0297204 1.9567417 -0.0327223 0.0291936 -0.1181005 2.0998531 8 Mg 2.0241520 -0.0206364 -0.0172961 0.0297204 1.9567417 0.0327223 0.0291936 0.1181005 2.0998531 9 Mg 2.0241520 0.0206364 -0.0172961 -0.0297204 1.9567417 -0.0327223 0.0291936 -0.1181005 2.0998531 10 Mg 2.0241520 -0.0206364 -0.0172961 0.0297204 1.9567417 0.0327223 0.0291936 0.1181005 2.0998531 11 Mg 1.9365626 -0.0205160 -0.0913012 -0.0364532 2.1148434 -0.1570381 -0.0698026 -0.0957485 2.1688299 12 Mg 1.9365626 0.0205160 -0.0913012 0.0364532 2.1148434 0.1570381 -0.0698026 0.0957485 2.1688299 13 Mg 1.9365626 -0.0205160 -0.0913012 -0.0364532 2.1148434 -0.1570381 -0.0698026 -0.0957485 2.1688299 14 Mg 1.9365626 0.0205160 -0.0913012 0.0364532 2.1148434 0.1570381 -0.0698026 0.0957485 2.1688299 15 P 3.4420970 -0.0095427 -0.0274962 -0.0385270 3.1875474 0.0179162 -0.2022043 -0.0524730 3.1103484 16 P 3.4420970 0.0095427 -0.0274962 0.0385270 3.1875474 -0.0179162 -0.2022043 0.0524730 3.1103484 17 P 3.4420970 -0.0095427 -0.0274962 -0.0385270 3.1875474 0.0179162 -0.2022043 -0.0524730 3.1103484 18 P 3.4420970 0.0095427 -0.0274962 0.0385270 3.1875474 -0.0179162 -0.2022043 0.0524730 3.1103484 19 H 0.5418449 -0.1974220 -0.2025443 -0.1384617 0.5426296 0.2038289 -0.1341608 0.1442622 0.5680408 20 H 0.5418449 0.1974220 -0.2025443 0.1384617 0.5426296 -0.2038289 -0.1341608 -0.1442622 0.5680408 21 H 0.5418449 -0.1974220 -0.2025443 -0.1384617 0.5426296 0.2038289 -0.1341608 0.1442622 0.5680408 22 H 0.5418449 0.1974220 -0.2025443 0.1384617 0.5426296 -0.2038289 -0.1341608 -0.1442622 0.5680408 23 H 0.3805776 -0.0035158 -0.0350895 0.0149795 0.5333028 0.0154175 -0.0363625 -0.0138976 0.3673091 24 H 0.3805776 0.0035158 -0.0350895 -0.0149795 0.5333028 -0.0154175 -0.0363625 0.0138976 0.3673091 25 H 0.3805776 -0.0035158 -0.0350895 0.0149795 0.5333028 0.0154175 -0.0363625 -0.0138976 0.3673091 26 H 0.3805776 0.0035158 -0.0350895 -0.0149795 0.5333028 -0.0154175 -0.0363625 0.0138976 0.3673091 27 H 0.4997901 -0.2085225 -0.2549075 -0.1573063 0.5176230 0.2188858 -0.1712537 0.1647058 0.6022238 28 H 0.4997901 0.2085225 -0.2549075 0.1573063 0.5176230 -0.2188858 -0.1712537 -0.1647058 0.6022238 29 H 0.4997901 -0.2085225 -0.2549075 -0.1573063 0.5176230 0.2188858 -0.1712537 0.1647058 0.6022238 30 H 0.4997901 0.2085225 -0.2549075 0.1573063 0.5176230 -0.2188858 -0.1712537 -0.1647058 0.6022238 31 H 0.4445220 -0.0982848 0.0277974 -0.0769674 0.5987480 -0.0986631 0.0345299 -0.1242077 0.3948092 32 H 0.4445220 0.0982848 0.0277974 0.0769674 0.5987480 0.0986631 0.0345299 0.1242077 0.3948092 33 H 0.4445220 -0.0982848 0.0277974 -0.0769674 0.5987480 -0.0986631 0.0345299 -0.1242077 0.3948092 34 H 0.4445220 0.0982848 0.0277974 0.0769674 0.5987480 0.0986631 0.0345299 0.1242077 0.3948092 35 O -1.4482414 0.0840658 0.0762301 0.0556946 -1.4482675 -0.0445471 0.0085232 0.0650992 -1.4581706 36 O -1.4482414 -0.0840658 0.0762301 -0.0556946 -1.4482675 0.0445471 0.0085232 -0.0650992 -1.4581706 37 O -1.4482414 0.0840658 0.0762301 0.0556946 -1.4482675 -0.0445471 0.0085232 0.0650992 -1.4581706 38 O -1.4482414 -0.0840658 0.0762301 -0.0556946 -1.4482675 0.0445471 0.0085232 -0.0650992 -1.4581706 39 O -1.4105292 0.0008708 -0.0400790 0.0024817 -1.3271398 0.1084993 -0.0097215 0.0780127 -2.3753873 40 O -1.4105292 -0.0008708 -0.0400790 -0.0024817 -1.3271398 -0.1084993 -0.0097215 -0.0780127 -2.3753873 41 O -1.4105292 0.0008708 -0.0400790 0.0024817 -1.3271398 0.1084993 -0.0097215 0.0780127 -2.3753873 42 O -1.4105292 -0.0008708 -0.0400790 -0.0024817 -1.3271398 -0.1084993 -0.0097215 -0.0780127 -2.3753873 43 O -1.2821831 -0.0684592 0.1050903 -0.1082642 -1.5003690 -0.0178065 0.1439133 0.0505762 -1.3045838 44 O -1.2821831 0.0684592 0.1050903 0.1082642 -1.5003690 0.0178065 0.1439133 -0.0505762 -1.3045838 45 O -1.2821831 -0.0684592 0.1050903 -0.1082642 -1.5003690 -0.0178065 0.1439133 0.0505762 -1.3045838 46 O -1.2821831 0.0684592 0.1050903 0.1082642 -1.5003690 0.0178065 0.1439133 -0.0505762 -1.3045838 47 O -1.4323345 -0.4705013 0.1114743 -0.4772098 -2.1600162 0.2726568 0.1689714 0.3547669 -1.3462427 48 O -1.4323345 0.4705013 0.1114743 0.4772098 -2.1600162 -0.2726568 0.1689714 -0.3547669 -1.3462427 49 O -1.4323345 -0.4705013 0.1114743 -0.4772098 -2.1600162 0.2726568 0.1689714 0.3547669 -1.3462427 50 O -1.4323345 0.4705013 0.1114743 0.4772098 -2.1600162 -0.2726568 0.1689714 -0.3547669 -1.3462427 51 O -1.4581691 0.1636797 0.0717370 0.1111463 -1.5605377 -0.0803748 0.0058946 -0.0573629 -1.5734721 52 O -1.4581691 -0.1636797 0.0717370 -0.1111463 -1.5605377 0.0803748 0.0058946 0.0573629 -1.5734721 53 O -1.4581691 0.1636797 0.0717370 0.1111463 -1.5605377 -0.0803748 0.0058946 -0.0573629 -1.5734721 54 O -1.4581691 -0.1636797 0.0717370 -0.1111463 -1.5605377 0.0803748 0.0058946 0.0573629 -1.5734721 55 O -1.4545755 -0.0227407 0.0240630 -0.0457122 -1.4014673 0.1071603 -0.0007833 0.1329582 -1.4155632 56 O -1.4545755 0.0227407 0.0240630 0.0457122 -1.4014673 -0.1071603 -0.0007833 -0.1329582 -1.4155632 57 O -1.4545755 -0.0227407 0.0240630 -0.0457122 -1.4014673 0.1071603 -0.0007833 0.1329582 -1.4155632 58 O -1.4545755 0.0227407 0.0240630 0.0457122 -1.4014673 -0.1071603 -0.0007833 -0.1329582 -1.4155632 59 O -1.7097480 0.4963251 0.3118204 0.5083697 -1.8456060 -0.2538029 0.3821006 -0.2430239 -1.4072652 60 O -1.7097480 -0.4963251 0.3118204 -0.5083697 -1.8456060 0.2538029 0.3821006 0.2430239 -1.4072652 61 O -1.7097480 0.4963251 0.3118204 0.5083697 -1.8456060 -0.2538029 0.3821006 -0.2430239 -1.4072652 62 O -1.7097480 -0.4963251 0.3118204 -0.5083697 -1.8456060 0.2538029 0.3821006 0.2430239 -1.4072652 63 O -2.2638278 -0.0851561 -0.1661737 -0.0883744 -1.4580889 -0.0869907 -0.1131549 -0.0550118 -1.5046227 64 O -2.2638278 0.0851561 -0.1661737 0.0883744 -1.4580889 0.0869907 -0.1131549 0.0550118 -1.5046227 65 O -2.2638278 -0.0851561 -0.1661737 -0.0883744 -1.4580889 -0.0869907 -0.1131549 -0.0550118 -1.5046227 66 O -2.2638278 0.0851561 -0.1661737 0.0883744 -1.4580889 0.0869907 -0.1131549 0.0550118 -1.5046227 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 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: 0.50, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.444 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 8.125 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.306 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.783 ( 0.000 0.000 0.000) 0.000 10.832 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.088 ( 0.000 0.000 0.000) 0.000 11.341 ( 0.000 0.000 0.000) 0.000 11.449 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.879 ( 0.000 0.000 0.000) 0.000 11.898 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.499 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.601 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 0.000) 0.000 12.960 ( 0.000 0.000 0.000) 0.000 12.985 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.287 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 13.469 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 13.992 ( 0.000 0.000 0.000) 0.000 14.006 ( 0.000 0.000 0.000) 0.000 14.156 ( 0.000 0.000 0.000) 0.000 14.324 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 15.029 ( 0.000 0.000 0.000) 0.000 15.116 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 15.245 ( 0.000 0.000 0.000) 0.000 15.563 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 15.876 ( 0.000 0.000 0.000) 0.000 15.912 ( 0.000 0.000 0.000) 0.000 16.090 ( 0.000 0.000 0.000) 0.000 16.129 ( 0.000 0.000 0.000) 0.000 16.290 ( 0.000 0.000 0.000) 0.000 16.315 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.384 ( 0.000 0.000 0.000) 0.000 16.659 ( 0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 17.121 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.210 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.417 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 19.541 ( 0.000 0.000 0.000) 0.000 19.562 ( 0.000 0.000 0.000) 0.000 19.590 ( 0.000 0.000 0.000) 0.000 20.264 ( 0.000 0.000 0.000) 0.000 21.183 ( 0.000 0.000 0.000) 0.000 21.337 ( 0.000 0.000 0.000) 0.000 21.338 ( 0.000 0.000 0.000) 0.000 21.522 ( 0.000 0.000 0.000) 0.000 21.941 ( 0.000 0.000 0.000) 0.000 22.337 ( 0.000 0.000 0.000) 0.000 22.846 ( 0.000 0.000 0.000) 0.000 23.079 ( 0.000 0.000 0.000) 0.000 24.272 ( 0.000 0.000 0.000) 0.000 24.431 ( 0.000 0.000 0.000) 0.000 24.486 ( 0.000 0.000 0.000) 0.000 24.533 ( 0.000 0.000 0.000) 0.000 25.107 ( 0.000 0.000 0.000) 0.000 25.265 ( 0.000 0.000 0.000) 0.000 25.731 ( 0.000 0.000 0.000) 0.000 26.069 ( 0.000 0.000 0.000) 0.000 26.701 ( 0.000 0.000 0.000) 0.000 26.736 ( 0.000 0.000 0.000) 0.000 27.154 ( 0.000 0.000 0.000) 0.000 27.298 ( 0.000 0.000 0.000) 0.000 27.692 ( 0.000 0.000 0.000) 0.000 28.026 ( 0.000 0.000 0.000) 0.000 28.028 ( 0.000 0.000 0.000) 0.000 28.247 ( 0.000 0.000 0.000) 0.000 28.670 ( 0.000 0.000 0.000) 0.000 28.827 ( 0.000 0.000 0.000) 0.000 28.923 ( 0.000 0.000 0.000) 0.000 29.049 ( 0.000 0.000 0.000) 0.000 29.189 ( 0.000 0.000 0.000) 0.000 29.353 ( 0.000 0.000 0.000) 0.000 29.362 ( 0.000 0.000 0.000) 0.000 29.508 ( 0.000 0.000 0.000) 0.000 30.717 ( 0.000 0.000 0.000) 0.000 30.775 ( 0.000 0.000 0.000) 0.000 30.878 ( 0.000 0.000 0.000) 0.000 31.062 ( 0.000 0.000 0.000) 0.000 31.674 ( 0.000 0.000 0.000) 0.000 31.707 ( 0.000 0.000 0.000) 0.000 32.285 ( 0.000 0.000 0.000) 0.000 32.462 ( 0.000 0.000 0.000) 0.000 32.558 ( 0.000 0.000 0.000) 0.000 32.668 ( 0.000 0.000 0.000) 0.000 32.994 ( 0.000 0.000 0.000) 0.000 33.126 ( 0.000 0.000 0.000) 0.000 99.208 ( 0.000 0.000 0.000) 0.000 99.321 ( 0.000 0.000 0.000) 0.000 99.375 ( 0.000 0.000 0.000) 0.000 99.391 ( 0.000 0.000 0.000) 0.000 102.223 ( 0.000 0.000 0.000) 0.000 102.346 ( 0.000 0.000 0.000) 0.000 102.406 ( 0.000 0.000 0.000) 0.000 102.685 ( 0.000 0.000 0.000) 0.000 107.313 ( 0.000 0.000 0.000) 0.000 107.341 ( 0.000 0.000 0.000) 0.000 107.342 ( 0.000 0.000 0.000) 0.000 107.470 ( 0.000 0.000 0.000) 0.000 109.312 ( 0.000 0.000 0.000) 0.000 109.322 ( 0.000 0.000 0.000) 0.000 109.324 ( 0.000 0.000 0.000) 0.000 109.340 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 30.795 0.000 19.434) 36.415 0.818 ( 41.191 0.000 2.604) 41.273 1.355 ( 63.960 0.000 13.159) 65.300 2.703 ( 13.947 0.000 8.607) 16.389 3.129 ( -1.953 0.000 -3.028) 3.603 3.396 ( 3.518 0.000 6.462) 7.357 3.488 ( -2.902 0.000 -16.379) 16.634 3.930 ( -4.687 0.000 3.922) 6.112 3.965 ( -1.604 0.000 -2.750) 3.183 4.108 ( 0.728 0.000 -4.074) 4.138 4.320 ( -6.309 0.000 7.871) 10.087 4.323 ( -13.661 0.000 3.190) 14.029 4.542 ( -1.509 0.000 -11.481) 11.580 4.695 ( 5.655 0.000 0.874) 5.722 4.791 ( 4.111 0.000 1.847) 4.507 4.989 ( 1.992 0.000 -1.587) 2.547 5.039 ( 2.178 0.000 5.319) 5.748 5.171 ( 2.919 0.000 -2.406) 3.783 5.306 ( -2.267 0.000 3.542) 4.205 5.341 ( -4.416 0.000 -3.907) 5.897 5.442 ( -5.296 0.000 0.854) 5.365 5.595 ( 1.982 0.000 9.694) 9.894 5.674 ( 11.133 0.000 -2.589) 11.430 5.773 ( -2.596 0.000 -14.569) 14.799 5.892 ( 1.653 0.000 1.266) 2.082 5.936 ( 8.300 0.000 3.100) 8.860 6.150 ( 3.227 0.000 -3.186) 4.535 6.230 ( -2.732 0.000 -1.811) 3.278 6.235 ( -2.012 0.000 1.737) 2.658 6.331 ( 10.426 0.000 -4.902) 11.521 6.396 ( 0.752 0.000 6.541) 6.584 6.517 ( -3.520 0.000 -3.315) 4.835 6.738 ( 0.561 0.000 -4.577) 4.612 6.776 ( -0.508 0.000 -3.304) 3.343 6.778 ( 6.479 0.000 -11.616) 13.301 6.934 ( -9.297 0.000 8.080) 12.317 7.130 ( -0.585 0.000 -7.759) 7.781 7.273 ( 2.593 0.000 12.213) 12.485 7.274 ( -5.629 0.000 -4.535) 7.228 7.459 ( -3.798 0.000 6.779) 7.771 7.477 ( -1.782 0.000 -2.108) 2.761 7.550 ( 9.213 0.000 -7.335) 11.776 7.566 ( -2.992 0.000 -3.941) 4.948 7.698 ( -2.329 0.000 5.662) 6.123 7.706 ( 4.287 0.000 13.049) 13.735 7.758 ( -1.901 0.000 -0.791) 2.059 7.841 ( 0.884 0.000 -1.211) 1.500 8.125 ( 1.594 0.000 -1.353) 2.091 8.168 ( -2.010 0.000 -0.460) 2.062 8.231 ( -7.751 0.000 -5.731) 9.640 8.342 ( -5.943 0.000 -2.988) 6.652 8.361 ( -3.641 0.000 6.253) 7.236 8.531 ( 2.588 0.000 3.268) 4.168 8.594 ( 0.552 0.000 1.078) 1.211 8.799 ( -2.592 0.000 -3.845) 4.637 8.887 ( -0.651 0.000 0.522) 0.835 8.998 ( -2.738 0.000 1.719) 3.232 9.114 ( 4.991 0.000 -2.237) 5.469 9.202 ( -1.636 0.000 -5.507) 5.745 9.261 ( -1.663 0.000 6.444) 6.655 9.280 ( 0.544 0.000 9.892) 9.907 9.398 ( -0.313 0.000 1.337) 1.373 9.399 ( -3.335 0.000 2.237) 4.016 9.777 ( -1.200 0.000 -6.412) 6.523 9.779 ( 2.630 0.000 -1.897) 3.242 9.969 ( -10.554 0.000 0.658) 10.574 10.004 ( 0.844 0.000 5.022) 5.092 10.068 ( 3.678 0.000 2.317) 4.347 10.165 ( -5.131 0.000 4.165) 6.609 10.228 ( 4.869 0.000 4.098) 6.364 10.293 ( 0.559 0.000 2.208) 2.277 10.348 ( -1.033 0.000 1.266) 1.634 10.471 ( -4.234 0.000 -1.243) 4.413 10.541 ( 2.197 0.000 -6.880) 7.223 10.721 ( -2.890 0.000 -2.536) 3.845 10.809 ( -5.884 0.000 -1.464) 6.064 10.897 ( 4.256 0.000 -0.424) 4.277 11.035 ( -2.623 0.000 -0.660) 2.705 11.163 ( 2.520 0.000 5.614) 6.154 11.255 ( 0.691 0.000 0.159) 0.709 11.384 ( 2.947 0.000 -2.184) 3.669 11.478 ( 0.994 0.000 -1.236) 1.586 11.610 ( -0.055 0.000 -2.881) 2.882 11.663 ( -1.008 0.000 3.381) 3.528 11.880 ( -1.301 0.000 -1.773) 2.199 11.994 ( -4.353 0.000 12.384) 13.127 12.030 ( 5.389 0.000 -3.300) 6.319 12.154 ( 5.009 0.000 -0.723) 5.061 12.260 ( 6.872 0.000 -11.749) 13.611 12.370 ( -6.312 0.000 -4.532) 7.770 12.664 ( 9.150 0.000 -1.953) 9.356 12.684 ( -4.520 0.000 8.702) 9.806 12.781 ( 4.931 0.000 -7.591) 9.052 12.875 ( -6.553 0.000 3.787) 7.568 12.978 ( 1.300 0.000 -2.217) 2.570 12.983 ( -7.497 0.000 6.457) 9.894 13.024 ( -2.068 0.000 0.408) 2.108 13.228 ( 6.133 0.000 2.525) 6.632 13.283 ( -2.836 0.000 -3.945) 4.859 13.321 ( -1.645 0.000 -0.019) 1.645 13.397 ( 5.354 0.000 -15.076) 15.999 13.488 ( 0.238 0.000 2.277) 2.289 13.517 ( -4.572 0.000 -2.205) 5.075 13.722 ( 1.063 0.000 3.257) 3.426 13.796 ( 8.643 0.000 -4.825) 9.898 13.972 ( -4.985 0.000 10.474) 11.600 14.171 ( 6.260 0.000 2.322) 6.677 14.302 ( -1.091 0.000 -2.807) 3.011 14.452 ( -6.957 0.000 6.826) 9.747 14.952 ( -0.933 0.000 1.531) 1.793 15.056 ( 1.490 0.000 -1.337) 2.002 15.121 ( 0.065 0.000 2.558) 2.559 15.134 ( -1.520 0.000 1.980) 2.496 15.271 ( -0.262 0.000 4.049) 4.057 15.434 ( -12.784 0.000 29.000) 31.693 15.631 ( -3.961 0.000 3.599) 5.352 15.746 ( -1.429 0.000 2.498) 2.878 15.813 ( -1.831 0.000 -0.569) 1.918 15.881 ( 1.850 0.000 -4.353) 4.730 15.985 ( 6.883 0.000 -0.241) 6.888 16.099 ( -3.747 0.000 3.191) 4.921 16.176 ( -3.818 0.000 0.684) 3.879 16.335 ( -0.896 0.000 3.312) 3.431 16.362 ( 2.257 0.000 2.102) 3.084 16.487 ( 12.455 0.000 -6.192) 13.910 16.642 ( -2.079 0.000 1.106) 2.355 16.938 ( -0.890 0.000 -0.586) 1.066 17.097 ( 0.312 0.000 -4.325) 4.337 17.126 ( -2.568 0.000 1.136) 2.808 17.174 ( -1.461 0.000 4.555) 4.784 17.331 ( 2.199 0.000 -9.505) 9.756 17.350 ( -1.500 0.000 1.153) 1.892 17.684 ( 12.194 0.000 -24.850) 27.681 17.948 ( -5.711 0.000 -2.021) 6.058 19.512 ( -2.165 0.000 -1.582) 2.682 19.565 ( -2.440 0.000 0.038) 2.440 19.593 ( 3.104 0.000 -0.649) 3.171 20.248 ( -0.655 0.000 -2.987) 3.058 21.313 ( -1.377 0.000 -1.933) 2.373 21.360 ( 1.433 0.000 2.097) 2.540 21.461 ( 1.078 0.000 -4.056) 4.197 21.499 ( -1.364 0.000 -2.344) 2.712 21.960 ( 0.477 0.000 3.132) 3.168 22.288 ( -3.835 0.000 -2.483) 4.569 22.826 ( -2.091 0.000 0.650) 2.190 23.073 ( -3.000 0.000 -4.010) 5.008 24.318 ( 4.410 0.000 0.399) 4.428 24.462 ( 3.053 0.000 -0.375) 3.076 24.522 ( 3.139 0.000 0.351) 3.159 24.680 ( 6.015 0.000 -8.443) 10.367 25.096 ( -0.857 0.000 -0.574) 1.031 25.268 ( -0.234 0.000 1.287) 1.308 25.719 ( -6.365 0.000 7.573) 9.893 25.991 ( -7.497 0.000 0.512) 7.514 26.729 ( -1.746 0.000 2.508) 3.056 26.736 ( -4.526 0.000 11.072) 11.961 27.141 ( -1.490 0.000 0.384) 1.539 27.268 ( -2.625 0.000 -0.802) 2.745 27.748 ( 0.051 0.000 -2.578) 2.579 28.006 ( -2.331 0.000 1.054) 2.558 28.061 ( 2.074 0.000 0.508) 2.135 28.293 ( 4.494 0.000 -0.845) 4.572 28.749 ( -5.069 0.000 -2.095) 5.485 28.849 ( -4.942 0.000 -0.642) 4.983 28.939 ( -5.582 0.000 9.365) 10.903 29.234 ( 8.023 0.000 3.829) 8.890 29.327 ( 4.996 0.000 -4.563) 6.766 29.423 ( 7.220 0.000 -0.418) 7.232 29.587 ( 6.643 0.000 2.550) 7.116 30.038 ( -7.138 0.000 26.014) 26.975 30.695 ( 0.074 0.000 -4.801) 4.802 30.806 ( 4.608 0.000 -3.236) 5.631 31.121 ( 2.330 0.000 7.852) 8.190 31.680 ( 0.695 0.000 -0.251) 0.739 31.735 ( 2.427 0.000 1.040) 2.640 31.900 ( 27.185 0.000 -62.060) 67.753 32.302 ( 1.107 0.000 1.234) 1.657 32.518 ( -2.668 0.000 -1.991) 3.329 32.660 ( 4.541 0.000 -7.001) 8.344 32.662 ( -0.253 0.000 -0.749) 0.790 32.963 ( -4.896 0.000 1.325) 5.072 33.070 ( -5.338 0.000 -0.263) 5.344 99.213 ( 0.516 0.000 -0.229) 0.564 99.318 ( 0.137 0.000 -0.898) 0.909 99.375 ( 0.643 0.000 -2.598) 2.676 99.392 ( -0.656 0.000 1.691) 1.814 102.224 ( 0.137 0.000 0.044) 0.144 102.337 ( 1.265 0.000 -6.149) 6.278 102.419 ( 0.249 0.000 1.811) 1.828 102.675 ( -1.630 0.000 1.206) 2.028 107.325 ( 0.957 0.000 0.564) 1.111 107.342 ( 0.231 0.000 -0.446) 0.503 107.414 ( 1.142 0.000 -1.388) 1.797 107.455 ( -0.928 0.000 -1.056) 1.406 109.316 ( 0.371 0.000 0.095) 0.383 109.320 ( -0.142 0.000 -0.033) 0.146 109.328 ( 0.493 0.000 -0.320) 0.588 109.427 ( -0.616 0.000 1.487) 1.610 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 31.606 0.000 18.131) 36.437 1.612 ( 39.547 0.000 2.557) 39.629 2.633 ( 58.047 0.000 9.847) 58.876 3.102 ( 1.363 0.000 0.255) 1.387 3.145 ( 20.296 0.000 13.764) 24.523 3.385 ( 1.323 0.000 -10.990) 11.069 3.508 ( 0.201 0.000 7.808) 7.811 3.798 ( 1.175 0.000 -15.554) 15.599 3.860 ( -2.696 0.000 5.443) 6.074 4.080 ( 3.664 0.000 -11.476) 12.046 4.194 ( -9.143 0.000 -2.131) 9.388 4.224 ( -1.641 0.000 8.702) 8.856 4.469 ( 0.255 0.000 -5.735) 5.741 4.792 ( 1.281 0.000 -5.620) 5.764 4.869 ( 1.219 0.000 0.007) 1.219 4.998 ( 3.675 0.000 -2.208) 4.287 5.090 ( -0.538 0.000 1.983) 2.055 5.159 ( -5.948 0.000 -2.087) 6.304 5.229 ( -4.640 0.000 5.551) 7.235 5.251 ( -1.550 0.000 -3.620) 3.938 5.526 ( 3.423 0.000 15.072) 15.456 5.606 ( -1.314 0.000 -12.324) 12.394 5.694 ( -0.434 0.000 9.654) 9.664 5.793 ( -0.548 0.000 3.582) 3.624 5.945 ( 4.248 0.000 -3.582) 5.557 6.022 ( -1.094 0.000 -5.290) 5.402 6.084 ( -3.996 0.000 -10.488) 11.223 6.100 ( -5.954 0.000 -4.412) 7.410 6.228 ( 4.683 0.000 0.986) 4.786 6.468 ( 8.326 0.000 -8.838) 12.142 6.532 ( 2.702 0.000 7.783) 8.238 6.555 ( 7.194 0.000 5.921) 9.317 6.643 ( 2.425 0.000 -10.407) 10.686 6.803 ( 2.940 0.000 -4.351) 5.251 6.832 ( -3.967 0.000 3.674) 5.407 6.881 ( 0.596 0.000 9.262) 9.281 7.068 ( -10.691 0.000 -3.778) 11.339 7.097 ( 2.453 0.000 -3.650) 4.398 7.337 ( -11.185 0.000 2.173) 11.394 7.348 ( -7.399 0.000 5.453) 9.191 7.449 ( -5.207 0.000 -4.507) 6.887 7.480 ( 4.034 0.000 4.329) 5.917 7.573 ( -1.869 0.000 -3.695) 4.140 7.649 ( -4.343 0.000 2.756) 5.143 7.768 ( -3.867 0.000 5.254) 6.524 7.826 ( 0.930 0.000 -4.644) 4.737 7.903 ( 0.678 0.000 15.663) 15.678 8.116 ( 2.662 0.000 -4.787) 5.477 8.127 ( -2.863 0.000 5.379) 6.093 8.189 ( 4.087 0.000 1.707) 4.429 8.226 ( -2.288 0.000 -2.740) 3.570 8.331 ( -1.924 0.000 2.875) 3.459 8.551 ( -2.834 0.000 -5.459) 6.151 8.626 ( 3.452 0.000 -0.180) 3.457 8.743 ( 0.264 0.000 -2.732) 2.744 8.862 ( -1.672 0.000 -1.385) 2.172 8.946 ( -3.438 0.000 -0.191) 3.444 9.165 ( 1.781 0.000 -0.990) 2.037 9.186 ( 4.153 0.000 -0.908) 4.251 9.297 ( -0.517 0.000 6.929) 6.948 9.315 ( -3.359 0.000 1.550) 3.699 9.394 ( 2.225 0.000 1.992) 2.986 9.416 ( 0.703 0.000 2.033) 2.151 9.649 ( -8.331 0.000 -4.601) 9.517 9.787 ( -4.038 0.000 -2.722) 4.869 9.817 ( 1.644 0.000 0.136) 1.650 9.979 ( -8.015 0.000 -5.946) 9.980 10.012 ( -5.178 0.000 2.492) 5.747 10.227 ( 5.204 0.000 4.934) 7.172 10.258 ( -1.130 0.000 5.896) 6.003 10.310 ( -4.033 0.000 -0.262) 4.041 10.358 ( 0.430 0.000 1.180) 1.256 10.509 ( 6.567 0.000 1.440) 6.723 10.533 ( 3.696 0.000 -4.724) 5.998 10.620 ( -4.069 0.000 -4.826) 6.313 10.752 ( -0.263 0.000 2.351) 2.366 10.986 ( -2.147 0.000 0.805) 2.293 10.991 ( 5.042 0.000 -1.675) 5.313 11.225 ( -1.484 0.000 1.562) 2.154 11.248 ( 1.338 0.000 -4.232) 4.439 11.344 ( -1.379 0.000 -2.234) 2.625 11.505 ( -0.312 0.000 1.411) 1.446 11.552 ( -1.402 0.000 -3.311) 3.595 11.759 ( 4.307 0.000 5.184) 6.740 11.803 ( -4.634 0.000 -2.571) 5.300 12.013 ( -3.225 0.000 8.636) 9.218 12.084 ( 1.083 0.000 -4.221) 4.358 12.207 ( 1.567 0.000 -0.030) 1.567 12.266 ( 0.683 0.000 -0.939) 1.162 12.342 ( 1.677 0.000 3.803) 4.156 12.645 ( -1.369 0.000 3.827) 4.065 12.718 ( -1.418 0.000 -6.802) 6.948 12.771 ( -3.317 0.000 0.615) 3.373 12.871 ( -1.005 0.000 3.098) 3.257 12.903 ( -1.315 0.000 -2.881) 3.167 12.942 ( 0.856 0.000 -1.773) 1.969 13.003 ( -1.446 0.000 1.348) 1.976 13.171 ( -3.813 0.000 -3.982) 5.514 13.275 ( 4.761 0.000 -2.673) 5.460 13.376 ( -1.121 0.000 -0.033) 1.121 13.415 ( -3.190 0.000 -1.079) 3.368 13.466 ( 4.766 0.000 0.180) 4.769 13.517 ( 3.121 0.000 6.032) 6.791 13.777 ( 3.765 0.000 -3.265) 4.983 13.924 ( -7.135 0.000 6.304) 9.521 13.932 ( 8.887 0.000 -2.798) 9.318 14.238 ( -2.559 0.000 -3.390) 4.247 14.290 ( 4.593 0.000 -0.582) 4.630 14.450 ( 5.495 0.000 -2.330) 5.969 14.935 ( -1.689 0.000 2.101) 2.695 15.046 ( 0.896 0.000 -4.203) 4.297 15.157 ( -0.180 0.000 4.991) 4.994 15.160 ( 1.108 0.000 2.351) 2.599 15.286 ( 0.066 0.000 0.200) 0.211 15.436 ( -5.957 0.000 13.501) 14.757 15.583 ( -2.844 0.000 0.522) 2.891 15.723 ( -3.084 0.000 1.887) 3.615 15.807 ( 0.875 0.000 1.287) 1.556 15.881 ( 1.229 0.000 -1.486) 1.928 16.054 ( -3.363 0.000 2.804) 4.379 16.090 ( -1.322 0.000 1.084) 1.710 16.176 ( 7.969 0.000 0.230) 7.972 16.340 ( -0.895 0.000 1.896) 2.096 16.421 ( 1.940 0.000 3.078) 3.639 16.609 ( -2.550 0.000 2.119) 3.316 16.698 ( 13.979 0.000 -6.477) 15.407 16.894 ( -2.481 0.000 -3.259) 4.096 17.060 ( 1.920 0.000 -10.150) 10.330 17.069 ( -4.465 0.000 2.338) 5.040 17.166 ( -2.354 0.000 3.038) 3.844 17.264 ( -4.000 0.000 -2.909) 4.946 17.335 ( -1.835 0.000 3.341) 3.812 17.731 ( 6.837 0.000 -7.661) 10.268 17.790 ( -7.634 0.000 -3.100) 8.240 19.443 ( -3.808 0.000 -0.654) 3.864 19.511 ( -2.918 0.000 0.089) 2.919 19.668 ( 4.714 0.000 0.462) 4.737 20.178 ( -3.453 0.000 -4.484) 5.659 21.276 ( -0.024 0.000 -2.660) 2.660 21.419 ( 2.127 0.000 3.235) 3.871 21.435 ( -2.486 0.000 -3.718) 4.473 21.445 ( -0.034 0.000 -1.937) 1.938 22.006 ( 0.629 0.000 4.858) 4.899 22.159 ( -6.445 0.000 -4.186) 7.686 22.785 ( -2.804 0.000 0.923) 2.952 22.963 ( -4.858 0.000 -3.019) 5.720 24.427 ( 5.998 0.000 0.378) 6.010 24.528 ( 3.936 0.000 -0.515) 3.969 24.589 ( 3.248 0.000 -0.233) 3.256 24.743 ( 5.079 0.000 -2.283) 5.568 25.072 ( -0.656 0.000 -1.111) 1.291 25.275 ( -0.701 0.000 2.280) 2.386 25.641 ( -5.847 0.000 2.189) 6.243 25.829 ( -9.645 0.000 1.667) 9.788 26.716 ( -2.455 0.000 4.284) 4.937 26.747 ( -2.480 0.000 7.585) 7.980 27.107 ( -2.344 0.000 0.582) 2.415 27.193 ( -3.900 0.000 -1.492) 4.176 27.748 ( 0.504 0.000 1.394) 1.482 27.968 ( -3.053 0.000 2.482) 3.935 28.075 ( -0.888 0.000 -0.381) 0.966 28.372 ( 4.008 0.000 -1.971) 4.466 28.609 ( -5.886 0.000 -5.324) 7.937 28.743 ( -4.807 0.000 -2.126) 5.256 28.890 ( -5.602 0.000 5.663) 7.966 29.201 ( -3.106 0.000 -2.384) 3.916 29.599 ( 10.923 0.000 -0.741) 10.948 29.614 ( 15.575 0.000 2.770) 15.820 29.816 ( 13.842 0.000 4.328) 14.503 30.131 ( 1.438 0.000 7.296) 7.437 30.657 ( 1.416 0.000 -6.040) 6.203 30.892 ( 6.907 0.000 -2.971) 7.519 31.258 ( 3.286 0.000 10.280) 10.793 31.692 ( 0.700 0.000 -0.516) 0.869 31.808 ( 3.758 0.000 1.457) 4.030 31.905 ( 12.573 0.000 -26.383) 29.226 32.337 ( 0.918 0.000 1.479) 1.741 32.440 ( -3.363 0.000 -2.070) 3.949 32.650 ( 0.045 0.000 -1.235) 1.236 32.681 ( 2.016 0.000 -3.431) 3.979 32.857 ( -6.352 0.000 -0.157) 6.354 32.946 ( -6.703 0.000 0.546) 6.725 99.223 ( 0.841 0.000 -0.408) 0.934 99.312 ( 0.146 0.000 -1.199) 1.207 99.363 ( -0.329 0.000 -0.763) 0.830 99.393 ( -1.080 0.000 2.423) 2.653 102.229 ( 0.296 0.000 0.151) 0.333 102.308 ( -0.153 0.000 -3.166) 3.170 102.440 ( 0.084 0.000 2.286) 2.287 102.641 ( -3.186 0.000 1.610) 3.570 107.343 ( 0.415 0.000 -0.671) 0.789 107.355 ( 1.453 0.000 0.844) 1.680 107.423 ( -1.116 0.000 -1.492) 1.863 107.427 ( 0.812 0.000 -0.024) 0.812 109.317 ( 0.050 0.000 -0.353) 0.357 109.325 ( 0.472 0.000 0.095) 0.481 109.336 ( 0.583 0.000 -0.213) 0.621 109.429 ( -0.152 0.000 0.597) 0.616 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 30.465 0.000 15.268) 34.077 2.369 ( 36.910 0.000 3.249) 37.052 3.180 ( 2.785 0.000 6.849) 7.394 3.202 ( -5.373 0.000 -10.805) 12.067 3.428 ( 10.645 0.000 3.177) 11.109 3.669 ( 13.515 0.000 13.503) 19.105 3.829 ( 30.113 0.000 9.099) 31.457 3.882 ( 16.923 0.000 -16.311) 23.504 3.941 ( 7.212 0.000 5.066) 8.813 4.090 ( 5.523 0.000 0.013) 5.524 4.112 ( 12.374 0.000 -12.683) 17.720 4.331 ( 3.544 0.000 10.091) 10.695 4.405 ( -2.451 0.000 -6.091) 6.566 4.659 ( -3.608 0.000 -10.181) 10.801 4.795 ( -5.089 0.000 -5.949) 7.829 4.929 ( -9.147 0.000 -1.302) 9.239 5.080 ( -1.302 0.000 1.471) 1.964 5.088 ( -2.962 0.000 1.604) 3.369 5.192 ( -1.531 0.000 -5.236) 5.455 5.233 ( -4.586 0.000 14.037) 14.767 5.545 ( 1.329 0.000 -4.375) 4.572 5.627 ( -2.474 0.000 6.335) 6.801 5.702 ( -4.591 0.000 0.792) 4.659 5.718 ( -4.843 0.000 -0.896) 4.926 5.887 ( -8.432 0.000 -7.618) 11.363 5.934 ( 0.507 0.000 -1.705) 1.779 5.955 ( -1.621 0.000 -1.373) 2.124 6.162 ( 11.893 0.000 2.101) 12.077 6.342 ( 4.021 0.000 0.043) 4.021 6.491 ( 1.001 0.000 -6.588) 6.664 6.532 ( -5.238 0.000 0.567) 5.269 6.578 ( -5.917 0.000 -4.531) 7.453 6.694 ( -3.147 0.000 -3.609) 4.788 6.829 ( 5.724 0.000 -3.523) 6.721 6.832 ( 5.807 0.000 3.233) 6.646 6.934 ( -1.661 0.000 2.580) 3.068 6.962 ( 1.977 0.000 5.354) 5.707 7.118 ( -14.331 0.000 5.737) 15.437 7.136 ( -0.831 0.000 1.631) 1.831 7.236 ( -3.928 0.000 2.004) 4.410 7.323 ( -2.096 0.000 -4.910) 5.338 7.447 ( -6.732 0.000 -3.548) 7.610 7.577 ( -6.029 0.000 0.913) 6.098 7.598 ( 2.194 0.000 7.674) 7.981 7.696 ( -5.349 0.000 5.298) 7.528 7.751 ( -3.721 0.000 -3.127) 4.861 8.029 ( 3.273 0.000 5.711) 6.583 8.101 ( -5.444 0.000 4.230) 6.894 8.197 ( 0.792 0.000 -3.817) 3.898 8.215 ( 4.338 0.000 4.171) 6.018 8.277 ( 2.976 0.000 0.611) 3.038 8.385 ( 4.523 0.000 3.062) 5.462 8.462 ( 2.112 0.000 -8.620) 8.875 8.625 ( -1.155 0.000 0.349) 1.206 8.746 ( 0.194 0.000 0.119) 0.227 8.837 ( 0.955 0.000 -2.776) 2.936 8.855 ( -6.274 0.000 0.136) 6.275 9.194 ( -1.739 0.000 4.130) 4.482 9.257 ( 3.971 0.000 -1.247) 4.162 9.324 ( -3.286 0.000 -5.615) 6.506 9.333 ( -1.201 0.000 4.153) 4.323 9.337 ( 0.154 0.000 -1.828) 1.834 9.488 ( 5.082 0.000 2.737) 5.772 9.518 ( -0.739 0.000 -0.521) 0.904 9.762 ( 0.842 0.000 2.928) 3.047 9.786 ( -5.607 0.000 -2.184) 6.017 9.822 ( -2.939 0.000 -5.110) 5.895 9.912 ( -5.810 0.000 1.866) 6.102 10.194 ( -5.401 0.000 3.993) 6.716 10.284 ( -2.098 0.000 0.245) 2.112 10.309 ( 0.829 0.000 -1.489) 1.705 10.393 ( 2.976 0.000 1.232) 3.221 10.527 ( -0.310 0.000 -6.004) 6.012 10.580 ( 0.011 0.000 -0.851) 0.851 10.654 ( 11.320 0.000 -2.926) 11.692 10.793 ( 1.464 0.000 2.110) 2.568 10.961 ( -0.662 0.000 -1.348) 1.502 11.041 ( 2.024 0.000 -1.460) 2.495 11.119 ( -5.102 0.000 -1.136) 5.226 11.219 ( -1.430 0.000 -2.566) 2.938 11.375 ( 0.598 0.000 1.685) 1.788 11.461 ( -2.828 0.000 1.217) 3.079 11.570 ( 2.722 0.000 -0.030) 2.722 11.687 ( -5.951 0.000 4.311) 7.348 11.849 ( 1.969 0.000 -1.231) 2.322 11.989 ( -7.011 0.000 6.382) 9.480 12.030 ( -0.009 0.000 -3.739) 3.739 12.160 ( -5.285 0.000 -1.894) 5.614 12.338 ( 2.431 0.000 2.791) 3.702 12.393 ( -1.975 0.000 8.319) 8.550 12.563 ( -7.400 0.000 -3.725) 8.285 12.675 ( 0.131 0.000 1.762) 1.767 12.764 ( 4.153 0.000 0.021) 4.153 12.871 ( -1.635 0.000 -5.258) 5.506 12.881 ( 0.912 0.000 6.198) 6.264 12.942 ( 3.248 0.000 -9.713) 10.241 13.009 ( 3.617 0.000 1.692) 3.993 13.098 ( -2.974 0.000 -1.300) 3.245 13.296 ( -7.001 0.000 4.888) 8.539 13.331 ( 1.467 0.000 -7.291) 7.437 13.454 ( 3.193 0.000 2.801) 4.247 13.483 ( 2.581 0.000 3.376) 4.250 13.684 ( 5.185 0.000 5.846) 7.814 13.746 ( -0.935 0.000 -7.322) 7.381 13.924 ( 4.027 0.000 0.728) 4.092 14.053 ( 1.829 0.000 0.576) 1.918 14.199 ( 4.097 0.000 -2.154) 4.629 14.323 ( 0.647 0.000 -2.351) 2.439 14.556 ( 4.249 0.000 -0.007) 4.249 14.946 ( 0.709 0.000 3.555) 3.625 15.045 ( 2.702 0.000 -3.835) 4.691 15.133 ( -3.977 0.000 -5.713) 6.960 15.197 ( -0.790 0.000 6.189) 6.239 15.305 ( 2.067 0.000 0.066) 2.068 15.439 ( -0.218 0.000 2.565) 2.574 15.530 ( -3.794 0.000 2.145) 4.358 15.655 ( -4.597 0.000 -0.574) 4.633 15.856 ( 4.187 0.000 -1.120) 4.334 15.925 ( 1.886 0.000 4.895) 5.246 16.028 ( -1.648 0.000 3.015) 3.436 16.051 ( -2.519 0.000 0.783) 2.638 16.329 ( -1.922 0.000 1.388) 2.371 16.350 ( 8.369 0.000 -0.929) 8.420 16.509 ( 4.212 0.000 4.975) 6.519 16.584 ( -1.900 0.000 2.594) 3.216 16.772 ( -3.277 0.000 -8.162) 8.795 16.871 ( 4.451 0.000 -2.087) 4.916 17.007 ( 2.293 0.000 -11.106) 11.340 17.027 ( 0.601 0.000 -0.673) 0.902 17.130 ( -7.332 0.000 -2.343) 7.697 17.143 ( -3.131 0.000 3.724) 4.865 17.343 ( -0.590 0.000 4.589) 4.626 17.640 ( -5.732 0.000 -0.959) 5.812 17.799 ( 4.021 0.000 -2.057) 4.517 19.366 ( -3.701 0.000 0.002) 3.701 19.468 ( -1.642 0.000 0.857) 1.852 19.772 ( 5.052 0.000 1.209) 5.194 20.052 ( -5.184 0.000 -4.844) 7.095 21.274 ( 1.563 0.000 -1.579) 2.222 21.353 ( -2.367 0.000 -4.027) 4.671 21.430 ( -0.237 0.000 -0.994) 1.022 21.487 ( 1.807 0.000 3.343) 3.800 21.989 ( -6.947 0.000 -4.393) 8.220 22.058 ( 0.487 0.000 4.697) 4.722 22.739 ( -2.559 0.000 0.752) 2.667 22.854 ( -3.924 0.000 -2.246) 4.521 24.532 ( 4.348 0.000 -0.025) 4.348 24.598 ( 3.677 0.000 -0.180) 3.681 24.637 ( 2.403 0.000 -0.839) 2.545 24.826 ( 4.338 0.000 -0.158) 4.341 25.059 ( 0.304 0.000 -1.191) 1.229 25.278 ( -1.354 0.000 2.995) 3.287 25.542 ( -4.773 0.000 -0.887) 4.854 25.670 ( -8.415 0.000 2.261) 8.713 26.711 ( -2.072 0.000 4.934) 5.352 26.767 ( -1.509 0.000 5.934) 6.123 27.068 ( -2.122 0.000 0.656) 2.221 27.104 ( -3.645 0.000 -2.130) 4.222 27.780 ( -0.015 0.000 3.878) 3.878 27.936 ( -2.724 0.000 3.637) 4.544 28.036 ( -0.951 0.000 -2.699) 2.862 28.339 ( -4.917 0.000 -6.558) 8.197 28.512 ( 1.329 0.000 -3.526) 3.768 28.631 ( -4.979 0.000 -2.162) 5.428 28.832 ( -4.296 0.000 3.496) 5.539 29.126 ( -2.766 0.000 -1.663) 3.228 29.800 ( 9.941 0.000 -0.207) 9.943 29.916 ( 12.530 0.000 4.672) 13.373 30.114 ( 12.266 0.000 2.925) 12.610 30.185 ( 0.977 0.000 -1.004) 1.401 30.672 ( 4.304 0.000 -2.910) 5.195 31.009 ( 6.878 0.000 -1.460) 7.031 31.396 ( 2.254 0.000 8.891) 9.172 31.689 ( -0.082 0.000 -1.799) 1.801 31.890 ( 3.460 0.000 1.157) 3.648 31.952 ( 9.359 0.000 -12.084) 15.284 32.331 ( -2.479 0.000 -0.697) 2.575 32.364 ( -2.763 0.000 -1.606) 3.196 32.659 ( -3.538 0.000 -1.256) 3.755 32.661 ( 2.166 0.000 0.218) 2.177 32.745 ( -3.099 0.000 -1.589) 3.482 32.857 ( -3.280 0.000 1.881) 3.781 99.236 ( 0.857 0.000 -0.469) 0.977 99.305 ( 0.111 0.000 -0.983) 0.989 99.351 ( -0.509 0.000 -0.042) 0.511 99.390 ( -1.165 0.000 2.099) 2.401 102.238 ( 0.519 0.000 0.281) 0.590 102.281 ( -0.446 0.000 -1.689) 1.747 102.459 ( 0.016 0.000 1.964) 1.965 102.583 ( -3.893 0.000 1.085) 4.041 107.346 ( 0.472 0.000 -0.595) 0.759 107.390 ( 1.417 0.000 0.776) 1.615 107.393 ( -0.777 0.000 -1.289) 1.506 107.442 ( 0.520 0.000 0.370) 0.639 109.316 ( 0.212 0.000 -0.391) 0.445 109.334 ( 0.347 0.000 0.037) 0.349 109.345 ( 0.508 0.000 -0.139) 0.527 109.431 ( 0.045 0.000 0.278) 0.282 ======================= Grid point 4 (5/78) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 23.158 0.000 10.064) 25.250 3.056 ( 24.754 0.000 -2.717) 24.903 3.085 ( 8.043 0.000 -0.302) 8.049 3.299 ( 3.127 0.000 6.664) 7.361 3.628 ( 9.537 0.000 1.670) 9.682 3.667 ( -8.152 0.000 -1.170) 8.236 3.958 ( -2.724 0.000 5.798) 6.405 4.135 ( 6.067 0.000 -5.281) 8.043 4.163 ( -10.271 0.000 -10.549) 14.723 4.239 ( 22.410 0.000 -9.530) 24.352 4.297 ( 3.278 0.000 0.520) 3.318 4.470 ( 2.767 0.000 -1.252) 3.037 4.474 ( 6.292 0.000 0.905) 6.357 4.694 ( 5.390 0.000 7.774) 9.460 4.741 ( 9.837 0.000 -3.356) 10.393 4.818 ( 1.608 0.000 2.811) 3.238 4.971 ( -11.116 0.000 8.294) 13.869 5.078 ( -3.862 0.000 9.338) 10.105 5.146 ( 7.840 0.000 -10.002) 12.709 5.242 ( -3.035 0.000 3.875) 4.922 5.531 ( 0.953 0.000 -2.268) 2.460 5.559 ( -3.694 0.000 -4.369) 5.721 5.639 ( -11.265 0.000 -2.518) 11.543 5.657 ( 0.549 0.000 -1.673) 1.761 5.722 ( 3.645 0.000 0.285) 3.656 5.945 ( 2.342 0.000 -2.761) 3.621 5.945 ( 0.015 0.000 0.858) 0.858 6.278 ( -10.863 0.000 4.283) 11.677 6.283 ( -9.855 0.000 0.499) 9.867 6.388 ( -7.700 0.000 1.961) 7.946 6.408 ( -5.262 0.000 -2.453) 5.806 6.535 ( 12.651 0.000 0.408) 12.658 6.627 ( 2.786 0.000 -9.075) 9.493 6.805 ( -13.301 0.000 6.581) 14.840 6.929 ( 5.458 0.000 -3.001) 6.229 6.944 ( -2.091 0.000 2.593) 3.331 7.052 ( -2.832 0.000 5.506) 6.191 7.072 ( -2.834 0.000 -3.020) 4.142 7.076 ( 10.022 0.000 0.389) 10.029 7.183 ( 2.058 0.000 -7.631) 7.904 7.312 ( 1.086 0.000 1.832) 2.130 7.333 ( -3.652 0.000 4.313) 5.652 7.479 ( -1.819 0.000 -2.949) 3.465 7.621 ( -8.346 0.000 2.782) 8.797 7.669 ( 0.883 0.000 -5.141) 5.217 7.739 ( 3.444 0.000 10.231) 10.795 8.010 ( -6.671 0.000 4.576) 8.089 8.114 ( 1.523 0.000 -4.204) 4.471 8.152 ( -0.133 0.000 1.518) 1.524 8.287 ( -0.426 0.000 -2.486) 2.522 8.309 ( 3.678 0.000 -0.716) 3.747 8.493 ( 3.416 0.000 -3.760) 5.080 8.494 ( 4.397 0.000 0.812) 4.471 8.682 ( 3.566 0.000 5.989) 6.971 8.684 ( -9.317 0.000 4.060) 10.163 8.764 ( -1.347 0.000 0.049) 1.348 8.867 ( 3.095 0.000 3.052) 4.347 9.079 ( -6.286 0.000 -9.838) 11.675 9.192 ( -3.385 0.000 -0.224) 3.393 9.297 ( -0.863 0.000 3.321) 3.431 9.332 ( 0.853 0.000 -3.278) 3.387 9.440 ( 5.070 0.000 -0.460) 5.090 9.529 ( 1.112 0.000 3.238) 3.424 9.597 ( -2.633 0.000 -0.083) 2.634 9.619 ( -0.461 0.000 -2.073) 2.124 9.742 ( -2.374 0.000 -4.020) 4.669 9.822 ( 1.014 0.000 3.052) 3.216 9.830 ( -4.436 0.000 2.154) 4.932 10.173 ( 2.513 0.000 -1.574) 2.965 10.266 ( -1.901 0.000 5.125) 5.466 10.273 ( -1.244 0.000 -3.136) 3.374 10.471 ( -0.906 0.000 -4.816) 4.901 10.484 ( 5.682 0.000 -1.058) 5.780 10.525 ( -3.560 0.000 -1.902) 4.036 10.752 ( -1.895 0.000 0.202) 1.906 10.902 ( 11.294 0.000 -3.617) 11.859 10.945 ( 1.697 0.000 -3.707) 4.077 11.069 ( -1.727 0.000 3.016) 3.476 11.087 ( 1.460 0.000 3.992) 4.251 11.176 ( -0.020 0.000 -1.206) 1.206 11.328 ( -4.278 0.000 -0.840) 4.359 11.453 ( -0.441 0.000 2.836) 2.870 11.608 ( 0.219 0.000 2.084) 2.096 11.636 ( -4.821 0.000 3.933) 6.222 11.863 ( -7.730 0.000 2.482) 8.119 11.866 ( 3.165 0.000 -1.975) 3.731 11.980 ( -10.450 0.000 -6.545) 12.330 12.045 ( 1.996 0.000 -0.486) 2.054 12.358 ( -1.567 0.000 1.337) 2.060 12.359 ( -2.338 0.000 3.518) 4.224 12.496 ( -2.762 0.000 2.338) 3.619 12.724 ( 3.181 0.000 3.373) 4.637 12.794 ( -0.079 0.000 -1.391) 1.394 12.874 ( 4.332 0.000 1.140) 4.480 12.939 ( 2.373 0.000 -10.009) 10.287 12.972 ( 3.137 0.000 3.188) 4.473 13.031 ( -3.853 0.000 0.656) 3.908 13.083 ( 2.633 0.000 1.154) 2.875 13.225 ( -4.130 0.000 -5.674) 7.019 13.241 ( -1.639 0.000 3.432) 3.804 13.519 ( 2.641 0.000 -0.289) 2.656 13.602 ( 4.573 0.000 1.594) 4.843 13.683 ( -1.045 0.000 -3.775) 3.916 13.798 ( 1.905 0.000 5.345) 5.674 14.027 ( 5.613 0.000 -0.508) 5.636 14.040 ( -0.883 0.000 0.580) 1.057 14.301 ( -0.756 0.000 -1.187) 1.407 14.349 ( 9.321 0.000 2.117) 9.559 14.581 ( -1.169 0.000 0.225) 1.190 14.925 ( -10.008 0.000 -8.780) 13.313 15.032 ( 3.357 0.000 6.955) 7.723 15.076 ( 3.099 0.000 -3.046) 4.345 15.217 ( -1.745 0.000 4.553) 4.876 15.327 ( 1.131 0.000 -3.978) 4.135 15.464 ( 0.385 0.000 -1.667) 1.711 15.497 ( -0.230 0.000 2.964) 2.973 15.551 ( -4.292 0.000 -2.485) 4.960 15.933 ( 4.395 0.000 -2.705) 5.161 16.007 ( 0.874 0.000 6.855) 6.910 16.016 ( -1.449 0.000 0.256) 1.471 16.054 ( 1.893 0.000 2.438) 3.087 16.288 ( -3.024 0.000 0.829) 3.136 16.460 ( 3.611 0.000 -0.428) 3.636 16.595 ( 2.191 0.000 1.292) 2.544 16.640 ( 4.088 0.000 3.708) 5.519 16.654 ( -1.566 0.000 -6.086) 6.285 16.838 ( -4.477 0.000 -0.275) 4.485 16.946 ( -7.733 0.000 0.198) 7.735 16.984 ( 1.723 0.000 -9.063) 9.226 17.078 ( 4.118 0.000 -2.849) 5.007 17.114 ( -2.768 0.000 2.893) 4.004 17.394 ( 2.568 0.000 2.372) 3.496 17.553 ( -4.101 0.000 1.586) 4.397 17.841 ( 1.502 0.000 -0.534) 1.594 19.309 ( -2.213 0.000 0.246) 2.227 19.466 ( 0.159 0.000 1.545) 1.553 19.866 ( 3.335 0.000 1.054) 3.498 19.919 ( -4.286 0.000 -3.810) 5.735 21.279 ( -1.808 0.000 -0.578) 1.898 21.308 ( 2.070 0.000 -2.485) 3.234 21.420 ( -0.206 0.000 -0.320) 0.381 21.537 ( 0.999 0.000 2.019) 2.253 21.841 ( -4.798 0.000 -2.858) 5.585 22.098 ( 0.251 0.000 2.865) 2.876 22.704 ( -1.531 0.000 0.406) 1.584 22.782 ( -2.036 0.000 -1.201) 2.364 24.587 ( 1.693 0.000 -0.166) 1.701 24.660 ( 2.563 0.000 0.119) 2.566 24.671 ( 1.738 0.000 -0.731) 1.885 24.895 ( 2.520 0.000 0.340) 2.542 25.060 ( 0.573 0.000 -0.809) 0.991 25.275 ( -1.462 0.000 2.958) 3.300 25.455 ( -2.590 0.000 -2.353) 3.499 25.555 ( -5.071 0.000 1.621) 5.324 26.718 ( -1.130 0.000 3.726) 3.894 26.785 ( -0.736 0.000 3.407) 3.486 27.028 ( -2.191 0.000 -2.014) 2.976 27.041 ( -1.203 0.000 0.474) 1.293 27.794 ( -1.828 0.000 3.564) 4.006 27.934 ( -0.887 0.000 4.557) 4.643 28.023 ( 2.120 0.000 -2.836) 3.541 28.168 ( -5.069 0.000 -7.450) 9.011 28.523 ( -4.253 0.000 -1.536) 4.522 28.530 ( 1.761 0.000 -1.703) 2.450 28.790 ( -2.263 0.000 1.669) 2.811 29.073 ( -1.720 0.000 -0.625) 1.830 29.964 ( 6.643 0.000 1.209) 6.752 30.153 ( 7.958 0.000 3.893) 8.859 30.157 ( -1.304 0.000 -3.803) 4.020 30.300 ( 5.397 0.000 0.721) 5.445 30.750 ( 4.192 0.000 -0.396) 4.211 31.112 ( 4.311 0.000 -0.616) 4.355 31.485 ( 0.753 0.000 5.276) 5.330 31.668 ( -0.375 0.000 -1.574) 1.618 31.955 ( 2.315 0.000 0.822) 2.457 32.050 ( 7.534 0.000 -4.522) 8.787 32.249 ( -3.807 0.000 -1.962) 4.283 32.312 ( -1.500 0.000 -0.890) 1.744 32.536 ( -6.701 0.000 -0.583) 6.726 32.714 ( -0.099 0.000 -1.191) 1.195 32.729 ( 3.261 0.000 1.525) 3.600 32.838 ( -0.891 0.000 1.370) 1.634 99.247 ( 0.545 0.000 -0.331) 0.638 99.300 ( 0.070 0.000 -0.537) 0.541 99.344 ( -0.341 0.000 0.153) 0.374 99.385 ( -0.777 0.000 1.160) 1.396 102.252 ( 0.598 0.000 0.285) 0.662 102.263 ( -0.320 0.000 -0.724) 0.792 102.472 ( 0.001 0.000 1.123) 1.123 102.521 ( -2.871 0.000 0.341) 2.891 107.351 ( 0.373 0.000 -0.298) 0.477 107.373 ( -0.412 0.000 -0.749) 0.855 107.419 ( 0.953 0.000 0.454) 1.056 107.451 ( 0.149 0.000 0.298) 0.333 109.318 ( 0.191 0.000 -0.228) 0.298 109.339 ( 0.167 0.000 0.000) 0.167 109.352 ( 0.294 0.000 -0.069) 0.302 109.434 ( 0.077 0.000 0.113) 0.137 ======================= Grid point 5 (6/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.676 ( -0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.790 ( -0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 -0.000) 0.000 4.188 ( 0.000 0.000 -0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 -0.000) 0.000 4.533 ( 0.000 0.000 -0.000) 0.000 4.677 ( -0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 -0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.617 ( -0.000 0.000 0.000) 0.000 5.789 ( -0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 -0.000) 0.000 6.151 ( 0.000 0.000 -0.000) 0.000 6.325 ( -0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 -0.000) 0.000 6.664 ( -0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 -0.000) 0.000 6.899 ( -0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 -0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 -0.000) 0.000 7.262 ( -0.000 0.000 0.000) 0.000 7.314 ( -0.000 0.000 0.000) 0.000 7.357 ( -0.000 0.000 0.000) 0.000 7.452 ( -0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 -0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 -0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 -0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.459 ( -0.000 0.000 0.000) 0.000 8.546 ( -0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 -0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 8.777 ( -0.000 0.000 -0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.090 ( -0.000 0.000 -0.000) 0.000 9.308 ( 0.000 0.000 -0.000) 0.000 9.310 ( -0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.517 ( -0.000 0.000 -0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.795 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.440 ( 0.000 0.000 -0.000) 0.000 10.463 ( -0.000 0.000 0.000) 0.000 10.548 ( -0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 10.952 ( -0.000 0.000 0.000) 0.000 11.028 ( -0.000 0.000 0.000) 0.000 11.070 ( 0.000 0.000 0.000) 0.000 11.087 ( 0.000 0.000 -0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 11.901 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.340 ( -0.000 0.000 0.000) 0.000 12.389 ( 0.000 0.000 -0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.907 ( 0.000 0.000 -0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 13.020 ( -0.000 0.000 -0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.142 ( -0.000 0.000 0.000) 0.000 13.254 ( -0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 13.645 ( 0.000 0.000 -0.000) 0.000 13.647 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 -0.000) 0.000 14.087 ( -0.000 0.000 0.000) 0.000 14.288 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 14.707 ( -0.000 0.000 -0.000) 0.000 15.095 ( -0.000 0.000 0.000) 0.000 15.135 ( -0.000 0.000 -0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.451 ( 0.000 0.000 0.000) 0.000 15.491 ( 0.000 0.000 0.000) 0.000 15.520 ( -0.000 0.000 0.000) 0.000 15.961 ( 0.000 0.000 -0.000) 0.000 16.003 ( -0.000 0.000 0.000) 0.000 16.052 ( 0.000 0.000 -0.000) 0.000 16.094 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.486 ( 0.000 0.000 0.000) 0.000 16.620 ( 0.000 0.000 0.000) 0.000 16.658 ( -0.000 0.000 0.000) 0.000 16.697 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 16.830 ( 0.000 0.000 0.000) 0.000 16.975 ( 0.000 0.000 -0.000) 0.000 17.097 ( 0.000 0.000 0.000) 0.000 17.106 ( 0.000 0.000 0.000) 0.000 17.448 ( 0.000 0.000 0.000) 0.000 17.507 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 19.289 ( 0.000 0.000 0.000) 0.000 19.480 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 19.904 ( 0.000 0.000 0.000) 0.000 21.254 ( 0.000 0.000 -0.000) 0.000 21.323 ( 0.000 0.000 0.000) 0.000 21.417 ( 0.000 0.000 0.000) 0.000 21.556 ( 0.000 0.000 0.000) 0.000 21.779 ( 0.000 0.000 0.000) 0.000 22.113 ( 0.000 0.000 0.000) 0.000 22.691 ( 0.000 0.000 0.000) 0.000 22.757 ( 0.000 0.000 0.000) 0.000 24.602 ( 0.000 0.000 0.000) 0.000 24.685 ( 0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 0.000) 0.000 24.921 ( 0.000 0.000 0.000) 0.000 25.063 ( 0.000 0.000 0.000) 0.000 25.273 ( 0.000 0.000 0.000) 0.000 25.417 ( 0.000 0.000 0.000) 0.000 25.512 ( 0.000 0.000 0.000) 0.000 26.724 ( 0.000 0.000 0.000) 0.000 26.793 ( 0.000 0.000 -0.000) 0.000 26.997 ( 0.000 0.000 -0.000) 0.000 27.031 ( 0.000 0.000 0.000) 0.000 27.787 ( 0.000 0.000 0.000) 0.000 27.962 ( 0.000 0.000 0.000) 0.000 28.041 ( 0.000 0.000 0.000) 0.000 28.068 ( 0.000 0.000 -0.000) 0.000 28.469 ( 0.000 0.000 0.000) 0.000 28.540 ( 0.000 0.000 0.000) 0.000 28.776 ( 0.000 0.000 0.000) 0.000 29.053 ( 0.000 0.000 0.000) 0.000 30.067 ( -0.000 0.000 -0.000) 0.000 30.092 ( 0.000 0.000 0.000) 0.000 30.256 ( 0.000 0.000 0.000) 0.000 30.346 ( 0.000 0.000 -0.000) 0.000 30.793 ( 0.000 0.000 -0.000) 0.000 31.152 ( 0.000 0.000 0.000) 0.000 31.514 ( 0.000 0.000 0.000) 0.000 31.656 ( 0.000 0.000 0.000) 0.000 31.984 ( 0.000 0.000 0.000) 0.000 32.119 ( -0.000 0.000 0.000) 0.000 32.196 ( 0.000 0.000 0.000) 0.000 32.294 ( 0.000 0.000 0.000) 0.000 32.454 ( 0.000 0.000 0.000) 0.000 32.708 ( 0.000 0.000 0.000) 0.000 32.776 ( 0.000 0.000 0.000) 0.000 32.832 ( 0.000 0.000 0.000) 0.000 99.251 ( 0.000 0.000 0.000) 0.000 99.298 ( 0.000 0.000 0.000) 0.000 99.341 ( 0.000 0.000 0.000) 0.000 99.382 ( 0.000 0.000 0.000) 0.000 102.257 ( 0.000 0.000 0.000) 0.000 102.261 ( 0.000 0.000 0.000) 0.000 102.477 ( 0.000 0.000 0.000) 0.000 102.492 ( 0.000 0.000 0.000) 0.000 107.354 ( 0.000 0.000 0.000) 0.000 107.365 ( 0.000 0.000 0.000) 0.000 107.431 ( 0.000 0.000 0.000) 0.000 107.453 ( 0.000 0.000 0.000) 0.000 109.319 ( 0.000 0.000 0.000) 0.000 109.340 ( 0.000 0.000 0.000) 0.000 109.355 ( 0.000 0.000 0.000) 0.000 109.436 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 36.515 0.000) 36.515 1.065 ( 0.000 49.539 0.000) 49.539 1.722 ( 0.000 74.516 0.000) 74.516 2.243 ( 0.000 -22.347 0.000) 22.347 3.127 ( 0.000 -40.875 0.000) 40.875 3.349 ( 0.000 4.778 0.000) 4.778 3.381 ( 0.000 7.052 0.000) 7.052 3.904 ( 0.000 9.143 0.000) 9.143 3.954 ( 0.000 5.312 0.000) 5.312 4.269 ( 0.000 13.219 0.000) 13.219 4.363 ( 0.000 -11.533 0.000) 11.533 4.512 ( 0.000 -10.704 0.000) 10.704 4.572 ( 0.000 5.351 0.000) 5.351 4.628 ( 0.000 -13.286 0.000) 13.286 4.759 ( 0.000 -17.360 0.000) 17.360 4.835 ( 0.000 -17.248 0.000) 17.248 4.922 ( 0.000 0.096 0.000) 0.096 5.019 ( 0.000 10.632 0.000) 10.632 5.165 ( 0.000 -15.086 0.000) 15.086 5.339 ( 0.000 -5.138 0.000) 5.138 5.589 ( 0.000 17.546 0.000) 17.546 5.608 ( 0.000 6.992 0.000) 6.992 5.658 ( 0.000 7.333 0.000) 7.333 5.812 ( 0.000 1.375 0.000) 1.375 5.932 ( 0.000 4.682 0.000) 4.682 5.963 ( 0.000 -0.197 0.000) 0.197 6.031 ( 0.000 -5.857 0.000) 5.857 6.089 ( 0.000 -1.030 0.000) 1.030 6.142 ( 0.000 2.658 0.000) 2.658 6.242 ( 0.000 -0.752 0.000) 0.752 6.389 ( 0.000 9.143 0.000) 9.143 6.501 ( 0.000 -7.076 0.000) 7.076 6.586 ( 0.000 -3.969 0.000) 3.969 6.824 ( 0.000 -7.529 0.000) 7.529 6.866 ( 0.000 3.390 0.000) 3.390 6.902 ( 0.000 -12.923 0.000) 12.923 7.013 ( 0.000 -5.068 0.000) 5.068 7.290 ( 0.000 -9.561 0.000) 9.561 7.342 ( 0.000 0.412 0.000) 0.412 7.352 ( 0.000 0.303 0.000) 0.303 7.450 ( 0.000 0.839 0.000) 0.839 7.516 ( 0.000 -2.407 0.000) 2.407 7.679 ( 0.000 2.943 0.000) 2.943 7.815 ( 0.000 10.371 0.000) 10.371 7.844 ( 0.000 3.138 0.000) 3.138 7.862 ( 0.000 10.750 0.000) 10.750 7.969 ( 0.000 1.781 0.000) 1.781 8.120 ( 0.000 -2.165 0.000) 2.165 8.190 ( 0.000 -6.233 0.000) 6.233 8.216 ( 0.000 5.155 0.000) 5.155 8.343 ( 0.000 -2.051 0.000) 2.051 8.416 ( 0.000 3.569 0.000) 3.569 8.494 ( 0.000 -1.072 0.000) 1.072 8.712 ( 0.000 -0.405 0.000) 0.405 8.866 ( 0.000 2.260 0.000) 2.260 8.947 ( 0.000 4.415 0.000) 4.415 9.001 ( 0.000 -2.003 0.000) 2.003 9.025 ( 0.000 -3.274 0.000) 3.274 9.133 ( 0.000 2.771 0.000) 2.771 9.204 ( 0.000 -1.904 0.000) 1.904 9.341 ( 0.000 -0.411 0.000) 0.411 9.383 ( 0.000 0.929 0.000) 0.929 9.487 ( 0.000 5.558 0.000) 5.558 9.714 ( 0.000 -3.286 0.000) 3.286 9.821 ( 0.000 2.673 0.000) 2.673 9.868 ( 0.000 -2.740 0.000) 2.740 9.979 ( 0.000 -4.181 0.000) 4.181 10.024 ( 0.000 1.254 0.000) 1.254 10.129 ( 0.000 -2.462 0.000) 2.462 10.227 ( 0.000 -4.464 0.000) 4.464 10.237 ( 0.000 5.927 0.000) 5.927 10.402 ( 0.000 8.590 0.000) 8.590 10.436 ( 0.000 9.265 0.000) 9.265 10.554 ( 0.000 -4.323 0.000) 4.323 10.651 ( 0.000 -10.224 0.000) 10.224 10.888 ( 0.000 2.257 0.000) 2.257 10.914 ( 0.000 -1.134 0.000) 1.134 11.090 ( 0.000 0.320 0.000) 0.320 11.147 ( 0.000 4.128 0.000) 4.128 11.294 ( 0.000 1.625 0.000) 1.625 11.308 ( 0.000 -3.957 0.000) 3.957 11.440 ( 0.000 0.561 0.000) 0.561 11.526 ( 0.000 -10.625 0.000) 10.625 11.625 ( 0.000 -0.450 0.000) 0.450 11.842 ( 0.000 2.943 0.000) 2.943 12.034 ( 0.000 -3.517 0.000) 3.517 12.041 ( 0.000 8.483 0.000) 8.483 12.237 ( 0.000 8.626 0.000) 8.626 12.255 ( 0.000 -4.068 0.000) 4.068 12.509 ( 0.000 -6.251 0.000) 6.251 12.553 ( 0.000 5.013 0.000) 5.013 12.673 ( 0.000 2.743 0.000) 2.743 12.747 ( 0.000 -5.394 0.000) 5.394 12.876 ( 0.000 -4.103 0.000) 4.103 12.938 ( 0.000 -2.108 0.000) 2.108 12.985 ( 0.000 -0.867 0.000) 0.867 13.034 ( 0.000 3.097 0.000) 3.097 13.136 ( 0.000 1.558 0.000) 1.558 13.298 ( 0.000 0.622 0.000) 0.622 13.316 ( 0.000 -0.630 0.000) 0.630 13.396 ( 0.000 -4.362 0.000) 4.362 13.432 ( 0.000 -4.637 0.000) 4.637 13.631 ( 0.000 3.612 0.000) 3.612 13.694 ( 0.000 3.860 0.000) 3.860 13.970 ( 0.000 -0.182 0.000) 0.182 14.000 ( 0.000 -0.608 0.000) 0.608 14.163 ( 0.000 1.565 0.000) 1.565 14.205 ( 0.000 4.755 0.000) 4.755 14.967 ( 0.000 1.573 0.000) 1.573 15.005 ( 0.000 -0.723 0.000) 0.723 15.046 ( 0.000 0.061 0.000) 0.061 15.105 ( 0.000 -1.969 0.000) 1.969 15.125 ( 0.000 0.247 0.000) 0.247 15.171 ( 0.000 -0.477 0.000) 0.477 15.270 ( 0.000 2.205 0.000) 2.205 15.469 ( 0.000 -6.594 0.000) 6.594 15.764 ( 0.000 1.388 0.000) 1.388 15.872 ( 0.000 -2.521 0.000) 2.521 15.889 ( 0.000 1.569 0.000) 1.569 15.945 ( 0.000 0.004 0.000) 0.004 16.200 ( 0.000 6.047 0.000) 6.047 16.232 ( 0.000 -0.829 0.000) 0.829 16.285 ( 0.000 0.977 0.000) 0.977 16.336 ( 0.000 0.873 0.000) 0.873 16.339 ( 0.000 2.050 0.000) 2.050 16.569 ( 0.000 -1.835 0.000) 1.835 16.684 ( 0.000 2.954 0.000) 2.954 17.011 ( 0.000 -8.834 0.000) 8.834 17.138 ( 0.000 1.708 0.000) 1.708 17.234 ( 0.000 -0.614 0.000) 0.614 17.347 ( 0.000 -0.273 0.000) 0.273 17.354 ( 0.000 -0.074 0.000) 0.074 17.506 ( 0.000 6.840 0.000) 6.840 17.926 ( 0.000 -9.628 0.000) 9.628 19.527 ( 0.000 -1.015 0.000) 1.015 19.534 ( 0.000 -1.801 0.000) 1.801 20.039 ( 0.000 5.051 0.000) 5.051 20.237 ( 0.000 -2.584 0.000) 2.584 21.216 ( 0.000 2.962 0.000) 2.962 21.334 ( 0.000 -0.710 0.000) 0.710 21.395 ( 0.000 5.035 0.000) 5.035 21.759 ( 0.000 -10.680 0.000) 10.680 22.290 ( 0.000 11.706 0.000) 11.706 22.759 ( 0.000 -7.588 0.000) 7.588 22.913 ( 0.000 3.680 0.000) 3.680 23.063 ( 0.000 -1.744 0.000) 1.744 24.290 ( 0.000 1.688 0.000) 1.688 24.400 ( 0.000 -2.528 0.000) 2.528 24.563 ( 0.000 2.561 0.000) 2.561 24.681 ( 0.000 -1.497 0.000) 1.497 25.273 ( 0.000 5.581 0.000) 5.581 25.371 ( 0.000 8.874 0.000) 8.874 25.643 ( 0.000 -7.575 0.000) 7.575 25.920 ( 0.000 -12.283 0.000) 12.283 26.704 ( 0.000 0.354 0.000) 0.354 26.746 ( 0.000 -1.311 0.000) 1.311 27.185 ( 0.000 2.444 0.000) 2.444 27.279 ( 0.000 -1.395 0.000) 1.395 27.775 ( 0.000 6.050 0.000) 6.050 27.977 ( 0.000 -3.084 0.000) 3.084 28.113 ( 0.000 3.171 0.000) 3.171 28.230 ( 0.000 -1.604 0.000) 1.604 28.733 ( 0.000 4.950 0.000) 4.950 28.856 ( 0.000 2.871 0.000) 2.871 28.899 ( 0.000 -2.231 0.000) 2.231 29.028 ( 0.000 -2.324 0.000) 2.324 29.223 ( 0.000 3.074 0.000) 3.074 29.342 ( 0.000 -1.056 0.000) 1.056 29.357 ( 0.000 -0.183 0.000) 0.183 29.473 ( 0.000 -4.413 0.000) 4.413 30.760 ( 0.000 3.664 0.000) 3.664 30.866 ( 0.000 -1.049 0.000) 1.049 30.869 ( 0.000 0.130 0.000) 0.130 31.014 ( 0.000 -4.129 0.000) 4.129 31.767 ( 0.000 7.926 0.000) 7.926 32.182 ( 0.000 -8.159 0.000) 8.159 32.488 ( 0.000 1.320 0.000) 1.320 32.495 ( 0.000 0.394 0.000) 0.394 32.599 ( 0.000 3.684 0.000) 3.684 32.865 ( 0.000 -7.677 0.000) 7.677 33.258 ( 0.000 7.941 0.000) 7.941 33.530 ( 0.000 -3.674 0.000) 3.674 99.224 ( 0.000 1.426 0.000) 1.426 99.323 ( 0.000 -2.766 0.000) 2.766 99.434 ( 0.000 2.037 0.000) 2.037 99.492 ( 0.000 -0.622 0.000) 0.622 102.324 ( 0.000 0.289 0.000) 0.289 102.342 ( 0.000 -0.332 0.000) 0.332 102.445 ( 0.000 3.487 0.000) 3.487 102.642 ( 0.000 -3.734 0.000) 3.734 107.317 ( 0.000 0.396 0.000) 0.396 107.337 ( 0.000 -0.354 0.000) 0.354 107.479 ( 0.000 0.800 0.000) 0.800 107.519 ( 0.000 -0.664 0.000) 0.664 109.313 ( 0.000 0.120 0.000) 0.120 109.320 ( 0.000 -0.148 0.000) 0.148 109.339 ( 0.000 0.027 0.000) 0.027 109.340 ( 0.000 -0.009 0.000) 0.009 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 22.862 26.496 18.331) 39.506 1.264 ( 16.866 37.755 9.399) 42.406 2.111 ( 36.062 45.541 -2.555) 58.146 2.413 ( 16.076 -9.962 7.732) 20.432 3.093 ( -4.248 -31.989 4.021) 32.519 3.320 ( -1.443 -1.055 0.998) 2.047 3.362 ( -1.211 -0.238 -3.511) 3.722 3.799 ( 6.264 11.492 -14.025) 19.183 4.106 ( -3.516 4.773 5.957) 8.404 4.153 ( -6.905 -1.942 -4.405) 8.418 4.268 ( -2.821 3.890 -7.347) 8.779 4.428 ( -4.697 -6.083 -3.524) 8.455 4.578 ( -4.382 3.397 7.828) 9.593 4.674 ( 6.802 2.168 2.442) 7.545 4.813 ( 2.247 -13.626 0.138) 13.811 4.833 ( 5.855 -19.546 -11.742) 23.541 4.990 ( 4.651 -5.807 3.849) 8.376 5.093 ( 2.876 9.882 4.700) 11.315 5.227 ( 1.342 -7.995 6.726) 10.533 5.329 ( 1.490 -2.304 0.748) 2.844 5.523 ( -5.308 6.979 -3.207) 9.337 5.674 ( 4.042 11.986 4.631) 13.470 5.752 ( 6.380 -1.351 -1.029) 6.602 5.836 ( 2.322 2.391 0.847) 3.439 5.893 ( 1.309 2.885 -2.591) 4.093 5.966 ( -3.663 6.617 2.471) 7.957 6.044 ( 2.348 -5.354 0.552) 5.872 6.095 ( 1.469 -5.019 -7.630) 9.250 6.194 ( 3.992 -3.260 -1.603) 5.398 6.266 ( -0.046 -2.236 2.256) 3.177 6.398 ( 0.695 3.101 -2.929) 4.322 6.515 ( -1.378 -1.373 -0.226) 1.958 6.565 ( -0.547 -8.718 4.721) 9.930 6.773 ( 2.777 -0.994 -11.658) 12.025 6.890 ( -4.390 -2.138 4.016) 6.322 6.928 ( 2.816 -0.784 1.212) 3.164 7.087 ( 4.050 -11.324 2.024) 12.195 7.235 ( -3.209 0.289 1.707) 3.646 7.263 ( -3.919 -1.096 -3.168) 5.157 7.336 ( -3.752 -3.877 2.497) 5.945 7.451 ( 2.576 -0.977 -5.974) 6.579 7.490 ( -2.879 -2.917 1.955) 4.541 7.591 ( -6.222 3.043 -7.402) 10.137 7.772 ( -1.624 2.625 0.614) 3.147 7.806 ( -2.329 6.289 4.327) 7.982 7.881 ( -1.807 7.386 1.311) 7.716 7.978 ( -1.060 5.352 2.036) 5.823 8.025 ( -2.557 -2.415 -0.183) 3.522 8.148 ( -1.248 -2.220 -2.590) 3.632 8.267 ( -0.326 3.065 4.617) 5.551 8.340 ( -2.306 -2.046 -1.373) 3.374 8.417 ( -3.103 3.438 -3.177) 5.616 8.457 ( 4.116 1.834 2.140) 4.988 8.625 ( -8.178 -2.373 3.177) 9.089 8.864 ( -3.620 2.193 -2.974) 5.173 8.947 ( 2.136 3.533 0.165) 4.132 8.992 ( -0.362 -1.140 0.892) 1.492 9.092 ( 6.362 -1.659 -1.509) 6.745 9.123 ( -0.884 1.766 -0.660) 2.082 9.213 ( -0.597 -2.041 3.859) 4.406 9.336 ( 1.787 0.352 -1.317) 2.247 9.385 ( -0.398 -0.625 0.190) 0.765 9.502 ( -3.002 3.467 5.315) 7.020 9.663 ( -0.972 -0.529 1.844) 2.151 9.796 ( -1.649 2.206 -4.226) 5.044 9.936 ( -2.330 -3.360 3.307) 5.259 9.999 ( -2.335 -3.232 -3.288) 5.168 10.032 ( -0.604 -5.875 2.439) 6.390 10.179 ( 2.833 4.059 -0.554) 4.981 10.228 ( -0.197 -0.466 0.326) 0.602 10.311 ( 7.353 -4.411 3.426) 9.234 10.414 ( -6.373 -2.177 4.377) 8.032 10.435 ( 3.554 5.798 0.664) 6.833 10.506 ( 3.060 6.871 1.632) 7.697 10.770 ( -0.263 -0.715 2.633) 2.741 10.823 ( -3.967 -2.570 1.077) 4.848 10.958 ( 1.840 -0.846 4.906) 5.307 11.019 ( -7.027 3.144 -5.708) 9.583 11.089 ( -4.315 -2.523 1.684) 5.275 11.129 ( 2.940 1.777 -5.972) 6.889 11.386 ( 2.831 -4.325 0.103) 5.170 11.491 ( 4.659 -1.954 0.469) 5.074 11.603 ( 0.084 -3.660 -5.167) 6.332 11.667 ( 4.108 1.587 2.428) 5.029 11.876 ( -1.593 3.253 0.610) 3.673 12.035 ( 1.555 4.218 4.674) 6.485 12.108 ( -5.619 3.633 3.019) 7.341 12.120 ( 5.535 -4.415 3.292) 7.808 12.349 ( -0.905 2.958 -9.191) 9.697 12.413 ( 4.474 0.324 -9.515) 10.519 12.509 ( -5.625 0.134 -0.345) 5.637 12.651 ( -3.618 -2.169 8.959) 9.903 12.751 ( 1.180 -5.353 -3.009) 6.253 12.865 ( -6.694 -0.575 3.913) 7.775 12.911 ( 3.677 -4.306 -0.119) 5.664 12.961 ( 0.509 -1.690 0.767) 1.925 13.046 ( -3.605 3.883 2.768) 5.978 13.202 ( 1.901 -1.938 2.698) 3.827 13.322 ( 3.362 2.791 -2.920) 5.255 13.333 ( 4.625 -0.240 -3.663) 5.904 13.424 ( 0.786 -3.896 1.405) 4.215 13.466 ( 2.932 0.601 -11.248) 11.639 13.545 ( -5.643 2.146 -3.611) 7.035 13.615 ( -1.277 -5.199 0.585) 5.386 13.851 ( -2.234 8.194 -2.215) 8.777 14.126 ( 0.798 -0.085 3.742) 3.827 14.223 ( 3.047 -0.149 -0.942) 3.193 14.252 ( 8.792 4.136 2.359) 9.999 14.671 ( -13.853 12.599 -2.853) 18.941 14.976 ( -0.430 2.015 0.731) 2.187 15.031 ( -0.185 -2.835 0.082) 2.842 15.089 ( 0.899 -3.044 -4.837) 5.785 15.157 ( -2.924 2.251 9.200) 9.912 15.287 ( -0.134 1.646 4.301) 4.607 15.322 ( -6.951 -7.110 21.457) 23.649 15.483 ( 0.565 -7.112 0.672) 7.166 15.759 ( -0.888 0.897 1.791) 2.191 15.835 ( -2.464 -1.297 -0.970) 2.948 15.900 ( 1.826 0.988 -1.499) 2.561 15.992 ( 2.833 -1.315 -1.193) 3.343 16.193 ( -1.835 1.856 0.758) 2.718 16.203 ( -0.769 9.558 2.240) 9.847 16.329 ( 1.994 -2.793 2.075) 4.010 16.381 ( 1.888 3.476 2.640) 4.756 16.492 ( 13.035 -0.739 -6.746) 14.696 16.664 ( 2.982 -4.647 -2.030) 5.883 16.687 ( 6.004 -3.293 -3.390) 7.641 16.998 ( -1.062 -8.030 -0.808) 8.140 17.156 ( -0.859 1.641 3.034) 3.555 17.210 ( -1.900 -0.553 3.420) 3.951 17.306 ( -0.329 1.186 -4.661) 4.821 17.436 ( 7.100 -1.265 -8.153) 10.885 17.484 ( -0.659 0.988 -1.025) 1.569 17.865 ( -5.309 -8.620 -1.636) 10.255 19.501 ( -2.897 -0.389 0.644) 2.993 19.536 ( -0.484 -2.239 0.651) 2.382 19.866 ( -7.723 12.499 -5.909) 15.837 20.202 ( -2.006 -4.185 -3.387) 5.746 21.283 ( 3.640 -0.004 1.916) 4.114 21.350 ( 0.139 1.159 -1.563) 1.951 21.378 ( -0.036 2.359 1.243) 2.666 21.652 ( -6.388 -5.409 -5.428) 9.976 22.244 ( -3.179 14.811 -1.523) 15.224 22.549 ( -14.243 17.747 -6.436) 23.649 22.749 ( -2.538 -5.878 1.910) 6.682 23.027 ( -4.262 -4.344 -2.729) 6.670 24.340 ( 4.411 1.563 0.338) 4.692 24.430 ( 3.037 -2.111 0.177) 3.703 24.578 ( 2.291 3.639 0.202) 4.305 24.689 ( 3.974 -0.193 -5.409) 6.715 25.219 ( -2.701 9.294 -2.703) 10.049 25.320 ( -1.557 5.644 0.670) 5.893 25.632 ( -4.146 -7.053 5.029) 9.604 25.860 ( -6.249 -11.353 0.612) 12.974 26.717 ( -1.743 -0.590 4.658) 5.008 26.726 ( -3.144 -0.742 5.583) 6.451 27.168 ( -1.676 2.197 0.054) 2.764 27.255 ( -2.465 -1.177 -0.446) 2.768 27.789 ( -0.260 3.662 -0.426) 3.696 27.947 ( -1.609 -3.167 1.329) 3.793 28.128 ( 1.329 4.058 -0.060) 4.270 28.283 ( 3.360 -1.625 0.480) 3.763 28.762 ( -5.149 1.313 -1.235) 5.455 28.858 ( -4.633 -1.176 -0.367) 4.793 28.923 ( -1.055 1.892 7.684) 7.983 29.174 ( 5.171 -5.005 2.484) 7.613 29.331 ( 7.832 0.585 -3.936) 8.785 29.427 ( 8.155 -1.265 -0.694) 8.282 29.527 ( 12.146 -3.848 4.658) 13.566 29.685 ( 20.154 -12.811 9.088) 25.552 30.719 ( 0.020 2.703 -5.045) 5.723 30.819 ( 1.965 -0.149 -3.491) 4.009 31.083 ( 4.231 -3.072 6.343) 8.221 31.132 ( 18.742 -10.458 -4.691) 21.968 31.776 ( 0.981 8.017 -0.117) 8.078 32.180 ( -0.168 -7.175 -0.860) 7.228 32.412 ( -1.941 6.224 -6.259) 9.038 32.508 ( -0.659 -0.708 -1.840) 2.078 32.610 ( 0.743 2.748 1.473) 3.205 32.837 ( -2.440 -5.807 -0.802) 6.349 33.136 ( -17.020 14.276 -15.161) 26.896 33.165 ( -7.831 5.392 -2.548) 9.843 99.228 ( 0.470 1.358 -0.314) 1.471 99.323 ( 0.374 -2.690 -1.280) 3.003 99.402 ( -3.565 3.434 0.320) 4.960 99.435 ( -1.303 1.671 -0.898) 2.301 102.276 ( -2.286 2.608 -0.157) 3.472 102.333 ( 0.516 -0.484 -3.839) 3.904 102.451 ( -0.085 3.011 1.358) 3.304 102.634 ( -1.372 -3.574 1.059) 3.972 107.328 ( 0.837 0.351 0.600) 1.088 107.345 ( 0.495 -0.152 0.101) 0.527 107.455 ( -1.923 1.523 -1.548) 2.901 107.465 ( -1.230 0.893 -1.712) 2.289 109.316 ( 0.282 0.064 -0.100) 0.306 109.320 ( 0.092 -0.041 -0.347) 0.362 109.335 ( 0.399 0.622 0.181) 0.760 109.385 ( 1.323 -2.150 1.512) 2.942 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 24.156 22.542 14.553) 36.103 1.857 ( 30.586 17.857 9.685) 36.717 2.723 ( 23.105 -15.518 5.665) 28.403 3.029 ( 22.120 -0.616 3.409) 22.390 3.124 ( 21.020 7.429 5.548) 22.974 3.350 ( 7.694 -0.140 0.081) 7.696 3.397 ( 5.395 -6.004 1.858) 8.283 3.801 ( -5.020 1.194 0.358) 5.172 3.865 ( -3.756 0.594 -9.069) 9.834 4.142 ( -4.456 1.277 2.000) 5.048 4.179 ( 8.999 10.694 -19.152) 23.710 4.332 ( -1.642 3.221 -0.744) 3.691 4.530 ( -3.954 0.779 -0.487) 4.060 4.743 ( -3.110 -6.909 -3.661) 8.414 4.836 ( 5.156 -7.081 -12.959) 15.641 4.895 ( 4.782 4.497 3.497) 7.438 5.067 ( 1.243 -11.450 2.189) 11.723 5.168 ( 0.249 10.517 1.976) 10.704 5.261 ( -2.080 -2.183 1.112) 3.215 5.443 ( -4.110 7.337 10.472) 13.431 5.494 ( 9.531 0.665 9.187) 13.254 5.712 ( -4.305 2.181 -1.356) 5.013 5.777 ( -2.746 6.840 0.020) 7.371 5.854 ( -0.534 -2.068 -4.097) 4.620 5.894 ( -1.734 2.666 1.818) 3.663 5.956 ( -0.727 -2.092 2.722) 3.509 5.996 ( -0.481 -3.353 -6.721) 7.527 6.139 ( 0.499 4.452 -4.813) 6.575 6.226 ( 3.798 0.220 -2.917) 4.794 6.316 ( 6.956 -11.088 7.280) 14.978 6.362 ( -0.676 -7.709 -0.234) 7.743 6.552 ( 2.619 -0.083 -3.037) 4.011 6.579 ( 0.218 -9.120 4.022) 9.970 6.700 ( -1.609 -2.533 -8.703) 9.206 6.849 ( -2.690 -1.891 -1.071) 3.458 6.968 ( -0.482 3.651 4.214) 5.596 7.086 ( -0.601 -2.531 -4.235) 4.970 7.153 ( -1.300 2.633 -3.301) 4.418 7.231 ( -9.293 -5.886 2.738) 11.336 7.288 ( -2.053 -7.376 6.065) 9.768 7.374 ( -8.494 -0.812 0.609) 8.555 7.459 ( 3.222 -1.368 -8.122) 8.844 7.529 ( 1.398 2.009 3.244) 4.064 7.717 ( -3.435 -1.059 -0.232) 3.602 7.805 ( -2.171 4.302 2.318) 5.348 7.846 ( -1.468 -0.189 7.283) 7.432 7.936 ( -3.221 -0.182 0.830) 3.332 8.042 ( -5.282 0.153 -3.323) 6.242 8.080 ( 1.140 -0.269 4.979) 5.115 8.265 ( -1.415 4.208 -0.740) 4.501 8.310 ( 0.475 0.489 1.998) 2.111 8.395 ( 1.482 6.184 1.157) 6.464 8.489 ( -5.754 -4.388 -2.624) 7.697 8.586 ( 5.564 -1.175 1.004) 5.774 8.737 ( -3.600 3.096 -6.678) 8.194 8.945 ( -2.520 3.162 2.136) 4.573 9.059 ( 4.733 -2.070 0.765) 5.222 9.087 ( -2.181 2.993 0.474) 3.734 9.199 ( 5.035 -1.035 -1.404) 5.328 9.237 ( -0.075 -0.547 3.257) 3.303 9.349 ( -0.979 -2.295 -3.839) 4.579 9.376 ( 2.099 -0.634 0.414) 2.232 9.481 ( -2.404 3.165 5.214) 6.556 9.680 ( -8.995 2.607 -4.237) 10.278 9.694 ( -0.042 -3.501 3.847) 5.202 9.788 ( -4.426 0.320 -1.551) 4.701 9.950 ( -5.249 -1.282 1.859) 5.714 10.079 ( 6.565 -1.536 -4.247) 7.968 10.171 ( -3.212 5.100 0.587) 6.056 10.241 ( 0.710 -3.512 0.471) 3.614 10.307 ( -5.923 0.100 3.283) 6.772 10.470 ( 4.506 -0.902 2.273) 5.127 10.501 ( -0.018 0.130 -2.467) 2.471 10.582 ( 1.395 8.918 2.695) 9.421 10.732 ( -0.186 0.115 5.078) 5.082 10.782 ( 0.063 7.394 -5.185) 9.031 10.914 ( 1.087 -12.789 -2.534) 13.083 11.008 ( -1.014 2.801 3.116) 4.310 11.066 ( 2.162 2.716 -1.686) 3.859 11.184 ( -0.451 -3.206 -0.614) 3.295 11.372 ( -0.249 -4.061 -0.617) 4.115 11.499 ( -1.770 -5.127 -4.980) 7.364 11.631 ( 4.372 3.811 1.564) 6.007 11.759 ( 1.574 1.600 5.035) 5.512 11.805 ( -6.180 3.827 2.073) 7.559 12.008 ( -4.831 0.972 -0.447) 4.948 12.120 ( 2.511 -0.576 1.974) 3.246 12.215 ( 0.341 1.369 -3.242) 3.536 12.311 ( 2.772 -0.968 1.306) 3.213 12.361 ( -2.977 5.508 0.900) 6.326 12.513 ( 5.130 -7.632 -5.130) 10.530 12.603 ( -4.346 -3.488 2.154) 5.974 12.714 ( -3.239 -4.548 1.174) 5.706 12.786 ( -5.114 -7.212 1.323) 8.940 12.940 ( -1.572 2.237 1.407) 3.075 12.993 ( 1.690 -2.213 -0.343) 2.806 13.057 ( 0.614 5.240 2.480) 5.830 13.169 ( -1.415 0.557 -1.326) 2.017 13.311 ( -0.064 2.578 -8.859) 9.227 13.371 ( -3.238 -0.296 2.504) 4.104 13.413 ( 2.500 -0.983 -3.971) 4.794 13.461 ( -0.080 -1.163 1.009) 1.542 13.517 ( 7.862 1.459 4.119) 8.995 13.706 ( 6.449 -6.033 -2.476) 9.171 13.825 ( 1.102 3.371 -0.478) 3.579 14.085 ( -3.717 -2.990 -1.563) 5.019 14.329 ( 5.052 3.212 -1.056) 6.079 14.430 ( -6.078 18.063 -2.237) 19.189 14.454 ( 7.502 0.359 -0.300) 7.517 14.947 ( -1.831 0.505 0.820) 2.069 15.048 ( 0.678 -0.166 -3.825) 3.888 15.097 ( 2.744 -5.028 2.261) 6.158 15.185 ( -1.190 1.583 6.171) 6.481 15.287 ( -2.139 -1.324 3.312) 4.159 15.342 ( -3.364 -4.163 7.824) 9.479 15.486 ( -1.579 -5.506 2.226) 6.145 15.769 ( -1.167 1.226 4.049) 4.389 15.805 ( 0.534 -0.515 -0.053) 0.744 15.893 ( -1.569 1.451 0.165) 2.144 16.018 ( -1.289 -3.239 2.651) 4.379 16.169 ( -0.877 5.278 -0.046) 5.351 16.260 ( 6.263 8.206 -1.357) 10.411 16.384 ( 0.968 -1.761 1.980) 2.821 16.417 ( 0.905 4.552 2.337) 5.196 16.651 ( -0.863 2.538 2.058) 3.380 16.684 ( 10.885 -3.223 -7.697) 13.716 16.766 ( 4.270 -5.651 -3.975) 8.122 16.957 ( -1.271 -6.329 -2.378) 6.879 17.137 ( -2.764 2.152 2.701) 4.423 17.216 ( -1.712 2.287 1.861) 3.409 17.245 ( -2.177 -0.014 -3.823) 4.399 17.394 ( -3.665 4.880 -0.368) 6.114 17.554 ( 7.327 -10.615 -5.167) 13.895 17.722 ( -6.870 -7.131 -2.318) 10.170 19.437 ( -3.867 0.396 0.626) 3.937 19.511 ( -2.796 -1.768 0.609) 3.364 19.768 ( 0.759 8.528 -2.709) 8.980 20.116 ( -3.301 -5.449 -4.559) 7.834 21.299 ( -0.727 2.149 -3.062) 3.811 21.359 ( 2.015 -0.441 0.812) 2.217 21.416 ( 0.626 -0.773 2.659) 2.839 21.499 ( -4.409 -1.714 -5.121) 6.972 22.183 ( -2.339 12.776 0.256) 12.991 22.330 ( -6.937 13.982 -2.789) 15.855 22.709 ( -3.073 -6.321 1.203) 7.130 22.901 ( -5.752 -5.927 -2.380) 8.596 24.444 ( 5.641 1.286 0.385) 5.799 24.505 ( 4.265 -1.346 0.024) 4.473 24.638 ( 3.454 3.484 -0.473) 4.929 24.741 ( 4.488 -0.482 -2.130) 4.991 25.156 ( -2.079 7.206 -1.705) 7.691 25.303 ( -1.855 2.605 2.171) 3.865 25.577 ( -4.298 -5.043 1.752) 6.854 25.729 ( -7.720 -8.522 1.851) 11.647 26.708 ( -2.251 -0.350 4.389) 4.945 26.734 ( -2.319 -1.067 6.953) 7.407 27.126 ( -2.604 1.551 0.054) 3.031 27.187 ( -3.700 -0.683 -1.207) 3.951 27.786 ( -0.504 3.083 2.161) 3.798 27.927 ( -2.459 -2.874 2.866) 4.746 28.130 ( -1.033 4.168 -1.279) 4.480 28.334 ( 1.509 -3.562 -1.641) 4.202 28.633 ( -5.511 2.262 -3.947) 7.146 28.747 ( -5.358 -0.785 -1.648) 5.660 28.913 ( -3.417 3.185 3.555) 5.870 29.152 ( -2.623 -4.374 -1.924) 5.451 29.586 ( 13.401 -0.359 0.769) 13.428 29.618 ( 12.353 -0.507 1.191) 12.421 29.827 ( 15.634 1.604 4.163) 16.258 30.041 ( 9.729 -6.804 5.615) 13.132 30.693 ( 1.984 3.192 -5.210) 6.424 30.861 ( 5.376 -2.802 -3.410) 6.955 31.238 ( 5.258 -1.104 7.599) 9.306 31.418 ( 13.448 -13.356 -3.686) 19.309 31.808 ( 2.873 7.559 -0.362) 8.095 32.145 ( -1.044 -0.751 -4.662) 4.836 32.342 ( -0.568 4.468 -4.160) 6.131 32.452 ( -2.707 0.328 -2.573) 3.749 32.645 ( 1.493 1.500 1.452) 2.567 32.765 ( -3.229 0.604 -2.874) 4.365 32.851 ( -6.642 3.671 -3.045) 8.177 32.967 ( -9.173 0.927 -2.340) 9.512 99.236 ( 0.731 1.136 -0.550) 1.459 99.311 ( 0.041 -1.527 -2.183) 2.664 99.366 ( -1.285 1.887 1.470) 2.715 99.411 ( -1.480 0.625 0.984) 1.884 102.251 ( -0.467 1.703 -0.220) 1.780 102.306 ( -0.430 -0.343 -2.357) 2.420 102.462 ( -0.253 2.148 1.899) 2.878 102.606 ( -2.609 -2.985 1.437) 4.217 107.349 ( 0.382 0.377 -0.173) 0.564 107.357 ( 1.100 0.091 0.409) 1.177 107.426 ( -0.785 0.412 -0.917) 1.275 107.435 ( -0.169 0.388 -0.824) 0.926 109.317 ( 0.106 0.046 -0.381) 0.398 109.322 ( 0.347 -0.172 -0.309) 0.496 109.348 ( 0.681 0.959 0.255) 1.203 109.409 ( 0.412 -1.542 0.705) 1.745 ======================= Grid point 14 (10/78) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 27.605 10.612 10.955) 31.538 2.506 ( 28.272 12.536 8.797) 32.154 3.047 ( 7.917 -10.190 1.514) 12.993 3.228 ( 9.754 -7.810 0.040) 12.495 3.421 ( 2.781 1.581 1.573) 3.565 3.626 ( 10.891 -3.042 7.360) 13.492 3.718 ( 5.780 -9.900 0.463) 11.474 3.811 ( 7.472 -5.160 -3.929) 9.894 4.017 ( 33.658 11.565 -0.035) 35.590 4.146 ( 8.633 3.889 -2.642) 9.830 4.212 ( 7.322 5.734 -11.535) 14.818 4.376 ( 2.825 7.574 4.185) 9.102 4.462 ( -1.492 3.454 2.892) 4.746 4.615 ( -2.992 -2.230 -9.796) 10.482 4.802 ( -1.042 0.427 -6.416) 6.514 4.882 ( -1.501 4.952 -3.512) 6.254 5.037 ( -5.547 -5.752 -0.919) 8.043 5.198 ( -1.825 -1.362 2.743) 3.565 5.250 ( -1.229 6.269 4.928) 8.068 5.435 ( -6.046 9.866 -0.230) 11.574 5.554 ( -5.752 0.157 3.072) 6.523 5.640 ( -1.773 -0.436 -1.114) 2.139 5.679 ( -6.080 0.005 -2.145) 6.447 5.773 ( -3.016 1.729 2.282) 4.159 5.854 ( -5.633 3.287 -1.693) 6.738 5.939 ( 4.501 3.384 -0.717) 5.677 6.041 ( -2.044 7.540 -0.531) 7.830 6.115 ( 9.104 -3.553 3.973) 10.549 6.331 ( -5.104 -12.483 -0.619) 13.501 6.352 ( 5.941 1.739 -1.627) 6.400 6.463 ( -2.021 -5.153 -0.546) 5.562 6.496 ( -0.329 -10.119 2.056) 10.332 6.651 ( -0.912 -4.647 -1.324) 4.917 6.654 ( 5.377 -5.964 -1.295) 8.134 6.770 ( -0.942 -4.526 -1.814) 4.966 6.940 ( -5.358 -4.086 2.767) 7.284 7.019 ( -7.289 -2.145 4.593) 8.879 7.051 ( -9.882 -5.349 2.070) 11.426 7.150 ( -0.793 -1.913 -1.832) 2.765 7.250 ( -1.949 7.593 2.144) 8.127 7.269 ( 1.904 -3.319 -3.970) 5.514 7.468 ( 1.496 3.369 -5.061) 6.261 7.571 ( -2.244 3.377 3.479) 5.343 7.630 ( -3.176 1.594 0.653) 3.613 7.782 ( -1.692 5.632 0.415) 5.896 7.860 ( -7.176 2.610 0.676) 7.665 7.926 ( 1.718 -7.248 2.490) 7.854 7.965 ( 2.423 -7.165 6.860) 10.211 8.177 ( 2.593 1.392 4.074) 5.026 8.222 ( -3.781 0.952 2.364) 4.560 8.336 ( 0.798 2.598 -0.613) 2.786 8.387 ( 0.973 -4.668 -8.635) 9.864 8.438 ( 1.656 2.733 -0.409) 3.222 8.596 ( -1.650 -1.375 -1.079) 2.403 8.720 ( 4.870 3.120 -3.113) 6.568 8.895 ( -5.142 4.890 3.467) 7.898 9.053 ( -1.980 6.578 0.337) 6.878 9.115 ( -1.067 -9.440 -0.006) 9.500 9.251 ( -1.063 -2.573 3.645) 4.586 9.266 ( 2.005 0.396 -0.911) 2.238 9.337 ( 3.668 -2.545 -3.466) 5.652 9.372 ( -2.710 1.348 -1.264) 3.280 9.487 ( -2.017 1.764 -4.661) 5.376 9.523 ( 2.743 2.973 2.214) 4.611 9.742 ( 2.160 -1.109 3.296) 4.094 9.757 ( -1.554 -0.094 5.431) 5.650 9.870 ( -6.576 4.075 1.025) 7.804 10.031 ( -4.967 5.484 -3.285) 8.095 10.149 ( -1.995 -2.880 -1.526) 3.821 10.252 ( -0.651 0.258 -3.622) 3.689 10.257 ( 0.204 1.030 4.576) 4.695 10.449 ( -0.092 -4.133 -5.058) 6.532 10.526 ( 0.198 -2.770 -0.875) 2.912 10.580 ( 1.123 7.952 -0.920) 8.083 10.795 ( 3.223 5.844 -4.136) 7.852 10.805 ( 2.054 0.509 1.702) 2.715 10.958 ( 2.654 -11.246 2.026) 11.731 11.000 ( -4.084 0.126 -3.005) 5.072 11.054 ( 1.588 -0.496 1.257) 2.086 11.124 ( -1.907 0.865 0.171) 2.101 11.410 ( -1.501 -4.075 1.429) 4.571 11.457 ( 2.337 1.325 -0.487) 2.731 11.646 ( -1.892 6.519 -1.591) 6.972 11.729 ( -4.899 -0.417 7.219) 8.734 11.805 ( -1.335 0.649 4.814) 5.037 11.927 ( -1.613 0.519 -3.078) 3.514 12.140 ( -4.955 -0.060 -1.904) 5.308 12.157 ( -1.454 1.559 -0.192) 2.141 12.278 ( -2.600 -0.811 0.333) 2.744 12.393 ( -0.686 -0.764 3.846) 3.981 12.521 ( -3.756 -3.068 -2.862) 5.632 12.581 ( 2.492 -5.987 1.018) 6.565 12.690 ( 0.177 -4.132 0.078) 4.137 12.765 ( 3.792 -7.128 2.240) 8.378 12.930 ( -4.207 0.806 -1.899) 4.686 12.936 ( 1.312 0.043 -2.649) 2.957 13.080 ( 1.669 4.758 1.432) 5.241 13.193 ( 1.551 4.877 0.600) 5.153 13.283 ( -2.284 0.050 -1.283) 2.621 13.318 ( -0.341 0.561 0.855) 1.078 13.441 ( 0.814 -0.594 -0.503) 1.126 13.509 ( 4.002 -0.792 1.170) 4.245 13.689 ( 5.742 1.700 3.596) 6.985 13.765 ( 3.688 0.176 -5.925) 6.982 13.879 ( 1.652 -2.435 4.147) 5.085 14.017 ( -1.413 -4.338 -1.796) 4.903 14.305 ( 0.633 7.933 -5.000) 9.399 14.354 ( 0.377 2.227 -3.618) 4.265 14.619 ( 4.372 6.433 3.076) 8.365 14.939 ( -0.338 -1.201 1.521) 1.967 15.026 ( 0.060 -1.018 -2.331) 2.545 15.131 ( -0.905 0.308 -2.830) 2.987 15.213 ( 0.114 0.492 3.232) 3.272 15.305 ( 2.012 -1.365 2.207) 3.283 15.340 ( -0.395 -5.304 1.378) 5.494 15.466 ( -2.202 -3.721 2.871) 5.190 15.742 ( -3.881 4.374 0.607) 5.879 15.844 ( 2.032 -1.582 0.543) 2.632 15.902 ( 1.165 -0.099 5.129) 5.260 16.005 ( -0.916 -2.537 1.554) 3.112 16.152 ( -0.476 7.295 -1.077) 7.389 16.326 ( -0.790 2.232 -1.292) 2.698 16.423 ( 5.125 4.088 -0.136) 6.558 16.503 ( 4.511 -0.448 3.646) 5.817 16.649 ( -0.646 3.222 1.060) 3.453 16.699 ( -1.437 -3.969 -4.522) 6.186 16.824 ( 0.913 -3.752 -1.837) 4.276 16.966 ( 6.144 -1.229 -5.596) 8.401 17.095 ( -3.885 0.932 0.992) 4.117 17.149 ( -3.069 1.362 -5.806) 6.707 17.174 ( -2.573 4.984 1.029) 5.703 17.356 ( -1.322 1.495 2.984) 3.590 17.574 ( -4.248 -5.359 -0.468) 6.854 17.660 ( 3.510 -11.059 -0.880) 11.636 19.375 ( -3.166 1.125 0.900) 3.479 19.461 ( -2.404 -1.244 0.964) 2.873 19.803 ( 3.337 3.200 -0.717) 4.679 20.007 ( -3.880 -3.924 -4.633) 7.205 21.277 ( 1.004 0.594 -2.444) 2.708 21.377 ( -1.833 1.885 -1.356) 2.958 21.397 ( 0.010 -3.876 -2.482) 4.602 21.444 ( -0.852 -1.074 2.394) 2.759 22.143 ( -2.887 10.206 -0.170) 10.608 22.216 ( -3.136 13.738 0.221) 14.093 22.655 ( -3.104 -7.165 0.449) 7.822 22.786 ( -4.271 -6.430 -1.579) 7.879 24.542 ( 3.990 0.817 0.063) 4.073 24.582 ( 3.654 -0.797 -0.138) 3.742 24.692 ( 2.773 3.872 -0.744) 4.820 24.815 ( 4.022 -1.110 -0.286) 4.182 25.114 ( -0.962 4.829 -1.227) 5.075 25.280 ( -2.609 -0.092 2.740) 3.785 25.507 ( -3.171 -2.387 -0.753) 4.040 25.611 ( -6.271 -4.930 2.240) 8.286 26.709 ( -1.787 0.069 4.910) 5.225 26.751 ( -1.512 -1.279 5.724) 6.057 27.077 ( -2.376 0.768 0.067) 2.497 27.104 ( -3.413 -0.090 -1.674) 3.803 27.802 ( -0.811 1.934 4.060) 4.570 27.906 ( -2.327 -2.243 3.762) 4.960 28.076 ( -1.893 3.282 -3.425) 5.108 28.283 ( -3.538 -4.775 -5.507) 8.102 28.524 ( -2.290 1.863 -3.034) 4.233 28.633 ( -5.140 -1.002 -1.555) 5.462 28.879 ( -2.166 4.292 1.705) 5.101 29.089 ( -2.286 -3.357 -1.405) 4.298 29.812 ( 10.421 1.087 0.459) 10.488 29.893 ( 12.191 -1.896 3.732) 12.889 30.122 ( 11.069 1.120 1.997) 11.303 30.187 ( 4.065 -0.345 0.047) 4.080 30.722 ( 4.538 4.324 -2.427) 6.722 30.957 ( 6.239 -4.493 -1.321) 7.801 31.389 ( 4.189 0.070 5.935) 7.265 31.572 ( 5.389 -8.441 -1.736) 10.163 31.886 ( 5.217 4.989 -0.093) 7.219 32.092 ( 0.453 3.175 -4.827) 5.795 32.299 ( -1.901 -0.510 -1.736) 2.624 32.371 ( -3.405 -0.196 -2.482) 4.218 32.674 ( -4.130 1.334 -2.365) 4.943 32.693 ( 2.150 2.161 1.684) 3.483 32.738 ( -4.108 -0.289 -2.177) 4.658 32.836 ( -3.187 -1.952 1.345) 3.972 99.245 ( 0.707 0.794 -0.601) 1.221 99.296 ( -0.045 -1.006 -1.345) 1.680 99.360 ( -0.575 1.013 0.924) 1.487 99.394 ( -1.323 0.062 1.499) 2.000 102.247 ( 0.069 0.770 -0.044) 0.774 102.281 ( -0.621 -0.216 -1.229) 1.394 102.472 ( -0.282 1.275 1.672) 2.122 102.561 ( -3.099 -1.890 1.058) 3.781 107.351 ( 0.306 0.358 -0.618) 0.777 107.374 ( 0.213 -0.700 -0.360) 0.816 107.412 ( 0.337 0.983 -0.107) 1.045 107.440 ( 0.432 -0.194 0.327) 0.575 109.317 ( 0.212 0.074 -0.392) 0.452 109.326 ( 0.296 -0.383 -0.247) 0.544 109.362 ( 0.537 1.160 0.159) 1.288 109.419 ( 0.238 -1.086 0.324) 1.158 ======================= Grid point 15 (11/78) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 20.596 0.775 8.229) 22.192 3.039 ( 19.304 7.306 6.444) 21.623 3.141 ( 3.063 3.803 -3.111) 5.790 3.319 ( 5.138 -5.244 -0.032) 7.341 3.553 ( 0.785 -1.751 -0.049) 1.920 3.677 ( 5.133 -4.807 0.772) 7.075 3.867 ( 7.391 -3.092 -0.108) 8.012 4.080 ( 5.799 -7.234 -1.944) 9.473 4.218 ( 14.167 2.956 -6.830) 16.003 4.315 ( 7.829 2.417 -3.839) 9.048 4.351 ( -2.349 6.450 -0.530) 6.885 4.456 ( -1.424 -2.514 1.369) 3.197 4.510 ( 10.166 8.314 -4.109) 13.760 4.686 ( -8.228 -1.285 5.201) 9.819 4.759 ( 13.043 7.647 5.538) 16.102 4.866 ( -9.386 -5.113 5.508) 12.024 4.923 ( 4.152 5.714 0.050) 7.063 5.144 ( -11.457 2.634 -0.404) 11.763 5.216 ( 7.643 2.325 -3.976) 8.924 5.343 ( 3.124 3.489 -6.116) 7.703 5.464 ( -5.623 -3.302 0.628) 6.551 5.509 ( -4.658 -6.400 -5.211) 9.477 5.666 ( -4.547 3.778 0.947) 5.987 5.706 ( -1.927 9.338 0.105) 9.535 5.789 ( 0.941 4.182 2.702) 5.067 5.965 ( 0.954 2.374 -1.043) 2.763 6.064 ( -1.925 8.580 -0.022) 8.794 6.159 ( -3.701 -5.718 0.247) 6.815 6.259 ( -4.032 -1.253 2.200) 4.761 6.389 ( -3.823 1.716 1.877) 4.591 6.416 ( 0.038 -4.304 2.164) 4.817 6.539 ( -0.714 -1.150 -4.107) 4.324 6.561 ( 4.638 -4.444 -0.006) 6.423 6.666 ( -8.202 -10.460 4.209) 13.943 6.821 ( 6.455 -7.785 -2.664) 10.458 6.839 ( -8.895 -10.150 1.323) 13.560 6.906 ( -5.679 -9.352 6.182) 12.567 6.969 ( 1.824 -7.370 -3.745) 8.465 7.157 ( 1.580 2.724 -2.911) 4.289 7.239 ( 4.896 7.512 -1.773) 9.140 7.306 ( -2.432 1.485 1.889) 3.419 7.434 ( -0.091 4.180 -1.520) 4.449 7.526 ( 0.195 1.758 -2.516) 3.075 7.569 ( -8.028 -1.712 4.312) 9.272 7.748 ( 2.341 7.133 -2.576) 7.937 7.873 ( 2.927 5.698 5.049) 8.156 7.979 ( -5.818 -2.372 4.868) 7.948 8.032 ( 5.967 -6.632 3.213) 9.483 8.139 ( -2.510 -0.125 -4.161) 4.861 8.246 ( 1.081 -0.888 1.873) 2.338 8.308 ( -1.684 -3.261 -2.649) 4.526 8.388 ( 2.443 -5.469 -8.093) 10.069 8.479 ( 3.351 2.415 5.345) 6.755 8.595 ( 0.043 -1.595 0.514) 1.677 8.796 ( 0.689 4.904 -0.231) 4.957 8.826 ( -2.710 8.329 6.174) 10.716 9.001 ( -2.254 -3.677 -4.203) 6.022 9.023 ( -3.378 3.502 -2.065) 5.286 9.188 ( -5.151 0.649 -2.591) 5.802 9.295 ( 0.577 -6.347 5.726) 8.568 9.393 ( 5.933 -3.396 -4.928) 8.427 9.409 ( 3.238 1.966 0.101) 3.789 9.495 ( 3.279 -0.834 0.003) 3.384 9.577 ( 1.372 2.111 -0.308) 2.537 9.688 ( -6.813 9.873 0.189) 11.997 9.777 ( -3.408 -1.285 1.410) 3.906 9.821 ( -1.713 1.962 4.421) 5.131 9.904 ( -4.463 -0.356 0.681) 4.529 10.129 ( 3.024 -1.418 -4.116) 5.301 10.205 ( 0.001 1.247 -3.812) 4.010 10.291 ( -0.907 5.180 5.159) 7.367 10.418 ( 0.150 -6.771 -3.208) 7.494 10.491 ( -0.928 -1.322 -3.420) 3.782 10.630 ( 2.953 7.409 -0.655) 8.002 10.792 ( -0.506 -1.883 -2.838) 3.444 10.833 ( 2.175 -1.691 -3.422) 4.393 10.886 ( -1.699 -3.099 -2.847) 4.538 11.001 ( -2.053 -11.470 4.186) 12.381 11.098 ( -1.210 1.525 1.102) 2.237 11.172 ( 6.798 3.927 1.641) 8.021 11.357 ( -2.278 -0.931 1.964) 3.149 11.507 ( 1.055 6.789 -0.253) 6.875 11.622 ( -4.568 -5.181 3.618) 7.798 11.691 ( -0.972 7.463 3.322) 8.227 11.806 ( -0.921 -3.035 2.064) 3.784 11.907 ( -0.312 0.939 -0.370) 1.057 11.956 ( -7.327 3.024 -3.848) 8.811 12.095 ( -4.861 4.786 -3.286) 7.572 12.267 ( 0.266 -7.031 1.570) 7.209 12.359 ( -2.762 -0.773 2.225) 3.630 12.466 ( -2.151 -3.014 -0.092) 3.704 12.626 ( 2.137 -7.021 0.922) 7.397 12.737 ( 2.476 -2.890 1.438) 4.068 12.861 ( 3.568 -4.965 -3.143) 6.874 12.891 ( 0.944 1.282 2.629) 3.073 12.941 ( 1.650 -0.610 -3.667) 4.067 13.120 ( 0.064 2.968 2.818) 4.094 13.230 ( -0.172 1.830 -0.157) 1.845 13.232 ( -1.560 6.835 3.888) 8.016 13.276 ( -1.450 4.625 -3.911) 6.229 13.486 ( 3.638 -1.879 -1.901) 4.515 13.569 ( 0.689 -3.432 1.481) 3.801 13.740 ( 0.623 2.969 -6.067) 6.783 13.803 ( 1.681 0.185 4.524) 4.830 13.951 ( 1.780 -3.705 3.756) 5.568 14.003 ( 2.012 -3.762 -2.094) 4.752 14.320 ( 0.148 2.118 -2.235) 3.083 14.378 ( 6.148 1.752 1.621) 6.595 14.665 ( -0.669 5.976 1.950) 6.322 14.895 ( -6.061 -3.513 -3.758) 7.950 15.012 ( 0.450 2.156 1.187) 2.502 15.093 ( 1.183 1.235 -1.573) 2.324 15.223 ( 0.260 -0.169 -2.103) 2.125 15.339 ( -0.289 -3.528 0.008) 3.540 15.368 ( 1.363 -1.647 2.298) 3.139 15.473 ( 0.686 -2.322 1.929) 3.096 15.659 ( -3.499 5.539 -1.933) 6.831 15.861 ( -0.980 -4.726 1.351) 5.012 15.992 ( 3.529 0.376 2.887) 4.575 16.037 ( 2.467 -1.397 1.886) 3.405 16.131 ( -0.712 6.989 -1.095) 7.110 16.279 ( -2.527 0.968 0.096) 2.707 16.525 ( 5.258 1.266 -1.009) 5.501 16.597 ( 1.236 0.976 -1.152) 1.952 16.626 ( 2.468 -2.022 -3.401) 4.663 16.673 ( -0.505 3.305 3.727) 5.007 16.781 ( -4.318 -2.592 1.084) 5.151 16.964 ( -6.805 -0.735 -1.431) 6.992 17.005 ( 2.025 2.420 -5.386) 6.242 17.106 ( -0.658 -0.686 -0.850) 1.275 17.169 ( 2.373 7.773 -1.647) 8.292 17.382 ( 1.479 -0.650 2.174) 2.708 17.506 ( -3.716 -3.708 2.298) 5.730 17.710 ( 1.630 -11.026 -0.028) 11.146 19.333 ( -1.897 2.116 0.724) 2.932 19.446 ( -0.394 -1.842 1.527) 2.425 19.857 ( 2.335 -0.326 -0.121) 2.360 19.900 ( -3.137 -1.503 -3.594) 5.002 21.290 ( 1.268 -0.603 -0.470) 1.481 21.318 ( -1.036 1.394 -2.766) 3.266 21.400 ( 0.585 -2.694 -0.724) 2.851 21.436 ( -1.822 -2.185 1.728) 3.329 22.078 ( -2.458 14.484 -0.623) 14.704 22.200 ( -0.453 9.860 1.583) 9.997 22.606 ( -2.021 -8.343 -0.066) 8.585 22.715 ( -2.129 -6.527 -0.706) 6.902 24.594 ( 1.636 0.649 -0.127) 1.764 24.637 ( 2.123 -1.048 -0.194) 2.376 24.732 ( 1.821 4.138 -0.386) 4.537 24.878 ( 2.386 -1.592 0.242) 2.879 25.096 ( -0.163 3.190 -0.669) 3.264 25.253 ( -2.177 -2.168 2.155) 3.752 25.452 ( -1.478 0.198 -1.453) 2.083 25.531 ( -3.617 -2.108 1.401) 4.415 26.720 ( -0.972 0.307 3.561) 3.704 26.769 ( -0.768 -1.389 3.325) 3.684 27.033 ( -1.935 0.470 -1.308) 2.382 27.045 ( -1.445 0.194 -0.129) 1.464 27.812 ( -1.685 1.604 3.694) 4.366 27.914 ( -0.500 -2.088 4.924) 5.372 28.021 ( -0.327 0.868 -4.517) 4.611 28.153 ( -3.562 -2.328 -6.103) 7.440 28.480 ( -0.648 -0.965 -1.600) 1.978 28.531 ( -4.033 -1.033 -0.855) 4.250 28.862 ( -0.717 5.150 0.652) 5.240 29.045 ( -1.353 -2.487 -0.547) 2.884 29.985 ( 6.764 1.877 1.355) 7.149 30.098 ( 5.321 -2.767 0.978) 6.077 30.213 ( 2.263 2.720 -0.639) 3.595 30.294 ( 4.511 -0.664 0.355) 4.574 30.803 ( 4.137 4.627 -0.270) 6.213 31.055 ( 4.103 -4.870 -0.252) 6.373 31.490 ( 2.159 0.850 3.378) 4.098 31.622 ( 1.529 -3.907 -0.753) 4.262 31.974 ( 2.884 2.877 0.638) 4.123 32.098 ( 3.578 1.860 -2.569) 4.781 32.230 ( -3.547 -0.769 -1.672) 3.996 32.299 ( -1.905 -1.261 -1.332) 2.644 32.558 ( -5.393 1.931 -1.267) 5.866 32.676 ( -0.904 -2.583 -1.721) 3.232 32.757 ( 2.501 1.719 1.778) 3.517 32.826 ( -0.272 -1.025 1.477) 1.819 99.252 ( 0.431 0.480 -0.397) 0.757 99.287 ( -0.024 -0.951 -0.604) 1.127 99.357 ( -0.284 0.974 0.413) 1.095 99.385 ( -0.789 -0.113 0.999) 1.278 102.250 ( 0.269 -0.006 -0.071) 0.278 102.263 ( -0.488 -0.186 -0.384) 0.648 102.479 ( -0.143 0.620 0.947) 1.141 102.514 ( -2.212 -0.615 0.445) 2.339 107.352 ( 0.268 0.120 -0.360) 0.465 107.367 ( -0.219 -0.461 -0.597) 0.786 107.428 ( 0.708 0.679 0.354) 1.043 107.450 ( 0.197 -0.176 0.315) 0.411 109.318 ( 0.179 0.066 -0.225) 0.295 109.329 ( 0.170 -0.487 -0.136) 0.533 109.371 ( 0.282 1.234 0.064) 1.267 109.424 ( 0.141 -0.898 0.129) 0.918 ======================= Grid point 16 (12/78) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -0.000 6.170 0.000) 6.170 3.167 ( 0.000 -6.868 0.000) 6.868 3.289 ( 0.000 8.846 0.000) 8.846 3.406 ( 0.000 -13.993 -0.000) 13.993 3.486 ( 0.000 -2.727 0.000) 2.727 3.823 ( 0.000 -4.864 0.000) 4.864 3.930 ( 0.000 9.215 0.000) 9.215 4.048 ( 0.000 6.225 -0.000) 6.225 4.284 ( 0.000 5.884 -0.000) 5.884 4.350 ( -0.000 3.452 0.000) 3.452 4.428 ( -0.000 -1.124 0.000) 1.124 4.497 ( 0.000 0.489 -0.000) 0.489 4.509 ( -0.000 0.134 0.000) 0.134 4.691 ( -0.000 4.197 0.000) 4.197 4.829 ( -0.000 -5.006 -0.000) 5.006 4.837 ( 0.000 4.580 0.000) 4.580 4.871 ( 0.000 -6.927 0.000) 6.927 5.130 ( 0.000 7.102 0.000) 7.102 5.348 ( -0.000 -3.089 0.000) 3.089 5.363 ( 0.000 0.716 -0.000) 0.716 5.395 ( 0.000 -10.842 -0.000) 10.842 5.438 ( -0.000 5.471 0.000) 5.471 5.519 ( 0.000 8.142 0.000) 8.142 5.716 ( 0.000 4.413 0.000) 4.413 5.876 ( 0.000 7.252 0.000) 7.252 5.920 ( -0.000 -3.373 0.000) 3.373 6.065 ( -0.000 -0.189 0.000) 0.189 6.087 ( 0.000 6.898 -0.000) 6.898 6.235 ( 0.000 3.062 0.000) 3.062 6.327 ( -0.000 9.287 0.000) 9.287 6.423 ( -0.000 -1.472 0.000) 1.472 6.508 ( 0.000 -7.072 -0.000) 7.072 6.567 ( -0.000 -7.400 0.000) 7.400 6.702 ( 0.000 -16.017 -0.000) 16.017 6.724 ( -0.000 -5.347 0.000) 5.347 6.818 ( -0.000 -7.824 0.000) 7.824 6.917 ( 0.000 -6.922 0.000) 6.922 6.967 ( 0.000 -5.847 -0.000) 5.847 7.170 ( 0.000 0.598 0.000) 0.598 7.260 ( -0.000 2.706 0.000) 2.706 7.357 ( -0.000 -3.129 0.000) 3.129 7.410 ( 0.000 7.359 0.000) 7.359 7.465 ( 0.000 -0.706 0.000) 0.706 7.534 ( 0.000 5.470 0.000) 5.470 7.783 ( 0.000 8.501 0.000) 8.501 7.898 ( 0.000 1.073 0.000) 1.073 7.966 ( -0.000 1.342 -0.000) 1.342 8.074 ( 0.000 -0.224 -0.000) 0.224 8.167 ( 0.000 -6.778 -0.000) 6.778 8.235 ( 0.000 -11.029 0.000) 11.029 8.296 ( 0.000 0.501 0.000) 0.501 8.321 ( 0.000 -0.004 -0.000) 0.004 8.580 ( 0.000 -2.450 -0.000) 2.450 8.588 ( 0.000 0.779 0.000) 0.779 8.740 ( -0.000 12.796 0.000) 12.796 8.861 ( 0.000 -1.706 0.000) 1.706 8.964 ( 0.000 7.797 -0.000) 7.797 9.013 ( 0.000 0.879 0.000) 0.879 9.091 ( 0.000 -0.520 0.000) 0.520 9.339 ( 0.000 -8.021 -0.000) 8.021 9.434 ( 0.000 -6.036 -0.000) 6.036 9.436 ( -0.000 1.495 0.000) 1.495 9.555 ( -0.000 -2.231 -0.000) 2.231 9.573 ( 0.000 0.981 0.000) 0.981 9.624 ( 0.000 18.848 0.000) 18.848 9.724 ( 0.000 -4.783 0.000) 4.783 9.793 ( -0.000 2.841 0.000) 2.841 9.876 ( 0.000 -1.565 0.000) 1.565 10.158 ( 0.000 -4.102 0.000) 4.102 10.195 ( -0.000 3.395 0.000) 3.395 10.310 ( 0.000 4.862 0.000) 4.862 10.405 ( 0.000 -5.798 0.000) 5.798 10.455 ( 0.000 0.273 0.000) 0.273 10.658 ( -0.000 6.129 0.000) 6.129 10.768 ( 0.000 3.750 0.000) 3.750 10.803 ( -0.000 -7.272 0.000) 7.272 10.914 ( -0.000 -5.988 0.000) 5.988 10.976 ( 0.000 -11.121 -0.000) 11.121 11.091 ( 0.000 1.368 0.000) 1.368 11.254 ( 0.000 -1.049 0.000) 1.049 11.379 ( 0.000 3.291 0.000) 3.291 11.508 ( 0.000 6.655 -0.000) 6.655 11.549 ( -0.000 -4.951 0.000) 4.951 11.731 ( -0.000 6.699 0.000) 6.699 11.782 ( 0.000 4.289 0.000) 4.289 11.838 ( 0.000 -0.724 0.000) 0.724 11.964 ( 0.000 -2.060 0.000) 2.060 11.986 ( -0.000 6.690 -0.000) 6.690 12.282 ( 0.000 -5.170 0.000) 5.170 12.352 ( 0.000 -5.299 0.000) 5.299 12.430 ( 0.000 -0.507 0.000) 0.507 12.661 ( 0.000 -9.276 0.000) 9.276 12.776 ( 0.000 -0.941 0.000) 0.941 12.865 ( 0.000 -0.951 0.000) 0.951 12.924 ( 0.000 1.924 0.000) 1.924 12.944 ( 0.000 -3.675 -0.000) 3.675 13.129 ( 0.000 1.467 0.000) 1.467 13.203 ( 0.000 3.652 0.000) 3.652 13.245 ( 0.000 0.706 -0.000) 0.706 13.259 ( -0.000 11.712 0.000) 11.712 13.519 ( 0.000 -3.567 0.000) 3.567 13.572 ( 0.000 -2.863 0.000) 2.863 13.713 ( 0.000 2.153 -0.000) 2.153 13.839 ( 0.000 -1.076 0.000) 1.076 13.983 ( 0.000 -3.320 -0.000) 3.320 14.028 ( 0.000 -4.528 0.000) 4.528 14.314 ( 0.000 3.340 0.000) 3.340 14.484 ( 0.000 -1.227 0.000) 1.227 14.677 ( 0.000 5.479 0.000) 5.479 14.751 ( -0.000 2.581 -0.000) 2.581 15.032 ( -0.000 0.585 0.000) 0.585 15.117 ( 0.000 -3.315 -0.000) 3.315 15.206 ( -0.000 1.354 0.000) 1.354 15.331 ( 0.000 -4.166 0.000) 4.166 15.393 ( 0.000 0.978 0.000) 0.978 15.494 ( 0.000 -2.565 -0.000) 2.565 15.609 ( 0.000 6.412 0.000) 6.412 15.854 ( 0.000 -5.994 -0.000) 5.994 16.046 ( 0.000 -0.027 0.000) 0.027 16.081 ( 0.000 -0.845 0.000) 0.845 16.114 ( -0.000 6.440 0.000) 6.440 16.251 ( 0.000 0.715 0.000) 0.715 16.561 ( 0.000 -2.222 0.000) 2.222 16.605 ( 0.000 6.945 0.000) 6.945 16.682 ( -0.000 -6.066 0.000) 6.066 16.696 ( 0.000 -0.171 -0.000) 0.171 16.704 ( 0.000 3.099 0.000) 3.099 16.871 ( 0.000 0.948 0.000) 0.948 17.004 ( 0.000 2.254 -0.000) 2.254 17.091 ( 0.000 -0.697 0.000) 0.697 17.191 ( 0.000 7.684 -0.000) 7.684 17.422 ( 0.000 -1.965 0.000) 1.965 17.469 ( 0.000 -2.828 0.000) 2.828 17.724 ( 0.000 -10.863 0.000) 10.863 19.318 ( 0.000 2.544 0.000) 2.544 19.454 ( 0.000 -2.353 0.000) 2.353 19.850 ( 0.000 -0.275 0.000) 0.275 19.880 ( 0.000 -1.708 -0.000) 1.708 21.293 ( 0.000 2.037 -0.000) 2.037 21.307 ( 0.000 -1.200 0.000) 1.200 21.407 ( 0.000 -5.172 -0.000) 5.172 21.416 ( -0.000 -0.204 0.000) 0.204 22.052 ( 0.000 15.920 0.000) 15.920 22.204 ( 0.000 8.948 0.000) 8.948 22.585 ( 0.000 -8.918 0.000) 8.918 22.692 ( 0.000 -6.582 0.000) 6.582 24.608 ( 0.000 0.631 0.000) 0.631 24.656 ( 0.000 -1.327 0.000) 1.327 24.749 ( 0.000 4.119 0.000) 4.119 24.903 ( 0.000 -1.760 0.000) 1.760 25.092 ( 0.000 2.633 0.000) 2.633 25.241 ( 0.000 -2.838 0.000) 2.838 25.431 ( 0.000 1.272 0.000) 1.272 25.501 ( 0.000 -1.060 0.000) 1.060 26.726 ( 0.000 0.334 0.000) 0.334 26.775 ( 0.000 -1.431 -0.000) 1.431 27.007 ( 0.000 0.820 -0.000) 0.820 27.031 ( 0.000 -0.089 0.000) 0.089 27.809 ( 0.000 1.974 0.000) 1.974 27.958 ( 0.000 -4.576 -0.000) 4.576 27.975 ( 0.000 1.389 0.000) 1.389 28.089 ( 0.000 -1.076 0.000) 1.076 28.469 ( 0.000 -0.135 0.000) 0.135 28.483 ( 0.000 -2.665 0.000) 2.665 28.858 ( 0.000 5.447 0.000) 5.447 29.030 ( 0.000 -2.133 0.000) 2.133 30.088 ( -0.000 1.459 -0.000) 1.459 30.099 ( 0.000 0.517 0.000) 0.517 30.261 ( 0.000 0.647 0.000) 0.647 30.330 ( 0.000 -1.404 0.000) 1.404 30.846 ( 0.000 4.575 -0.000) 4.575 31.095 ( 0.000 -4.854 0.000) 4.854 31.525 ( 0.000 1.221 0.000) 1.221 31.632 ( 0.000 -2.326 0.000) 2.326 32.003 ( 0.000 2.182 0.000) 2.182 32.158 ( -0.000 -3.197 -0.000) 3.197 32.159 ( 0.000 3.085 0.000) 3.085 32.276 ( 0.000 -1.602 0.000) 1.602 32.491 ( 0.000 3.123 0.000) 3.123 32.661 ( 0.000 -3.592 0.000) 3.592 32.796 ( 0.000 1.192 0.000) 1.192 32.829 ( 0.000 -0.332 0.000) 0.332 99.254 ( 0.000 0.354 0.000) 0.354 99.284 ( 0.000 -0.947 0.000) 0.947 99.356 ( 0.000 0.998 0.000) 0.998 99.381 ( 0.000 -0.127 0.000) 0.127 102.254 ( 0.000 -0.238 0.000) 0.238 102.256 ( 0.000 -0.349 0.000) 0.349 102.482 ( 0.000 0.407 0.000) 0.407 102.493 ( 0.000 -0.011 0.000) 0.011 107.354 ( 0.000 -0.010 0.000) 0.010 107.361 ( 0.000 -0.286 0.000) 0.286 107.437 ( 0.000 0.490 0.000) 0.490 107.453 ( 0.000 -0.099 0.000) 0.099 109.319 ( 0.000 0.057 0.000) 0.057 109.330 ( 0.000 -0.513 0.000) 0.513 109.374 ( 0.000 1.251 0.000) 1.251 109.426 ( 0.000 -0.848 0.000) 0.848 ======================= Grid point 22 (13/78) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.000 -33.282 0.000) 33.282 1.554 ( 0.000 33.282 0.000) 33.282 2.125 ( 0.000 -48.719 0.000) 48.719 2.125 ( 0.000 48.719 0.000) 48.719 3.310 ( 0.000 -47.891 0.000) 47.891 3.310 ( 0.000 47.891 0.000) 47.891 3.509 ( 0.000 -18.412 0.000) 18.412 3.509 ( 0.000 18.412 0.000) 18.412 4.147 ( 0.000 -6.039 0.000) 6.039 4.147 ( 0.000 6.039 0.000) 6.039 4.213 ( 0.000 -7.605 0.000) 7.605 4.213 ( 0.000 7.605 0.000) 7.605 4.538 ( 0.000 -11.022 0.000) 11.022 4.538 ( 0.000 11.022 0.000) 11.022 4.776 ( 0.000 -6.163 0.000) 6.163 4.776 ( 0.000 6.163 0.000) 6.163 4.904 ( 0.000 -4.382 0.000) 4.382 4.904 ( 0.000 4.382 0.000) 4.382 5.193 ( 0.000 -7.154 0.000) 7.154 5.193 ( 0.000 7.154 0.000) 7.154 5.696 ( 0.000 -1.477 0.000) 1.477 5.696 ( 0.000 1.477 0.000) 1.477 5.860 ( 0.000 -5.560 0.000) 5.560 5.860 ( 0.000 5.560 0.000) 5.560 5.976 ( 0.000 -2.978 0.000) 2.978 5.976 ( 0.000 2.978 0.000) 2.978 6.145 ( 0.000 -7.248 0.000) 7.248 6.145 ( 0.000 7.248 0.000) 7.248 6.176 ( 0.000 -19.869 0.000) 19.869 6.176 ( 0.000 19.869 0.000) 19.869 6.390 ( 0.000 -13.259 0.000) 13.259 6.390 ( 0.000 13.259 0.000) 13.259 6.628 ( 0.000 -12.608 0.000) 12.608 6.628 ( 0.000 12.608 0.000) 12.608 6.736 ( 0.000 -2.780 0.000) 2.780 6.736 ( 0.000 2.780 0.000) 2.780 7.121 ( 0.000 -7.664 0.000) 7.664 7.121 ( 0.000 7.664 0.000) 7.664 7.377 ( 0.000 -0.737 0.000) 0.737 7.377 ( 0.000 0.737 0.000) 0.737 7.455 ( 0.000 -2.275 0.000) 2.275 7.455 ( 0.000 2.275 0.000) 2.275 7.750 ( 0.000 -5.611 0.000) 5.611 7.750 ( 0.000 5.611 0.000) 5.611 7.943 ( 0.000 -3.996 0.000) 3.996 7.943 ( 0.000 3.996 0.000) 3.996 8.078 ( 0.000 -4.448 0.000) 4.448 8.078 ( 0.000 4.448 0.000) 4.448 8.222 ( 0.000 -4.411 0.000) 4.411 8.222 ( 0.000 4.411 0.000) 4.411 8.416 ( 0.000 -5.861 0.000) 5.861 8.416 ( 0.000 5.861 0.000) 5.861 8.554 ( 0.000 -10.285 0.000) 10.285 8.554 ( 0.000 10.285 0.000) 10.285 8.942 ( 0.000 -1.689 0.000) 1.689 8.942 ( 0.000 1.689 0.000) 1.689 9.014 ( 0.000 -3.723 0.000) 3.723 9.014 ( 0.000 3.723 0.000) 3.723 9.175 ( 0.000 -1.331 0.000) 1.331 9.175 ( 0.000 1.331 0.000) 1.331 9.349 ( 0.000 -3.409 0.000) 3.409 9.349 ( 0.000 3.409 0.000) 3.409 9.633 ( 0.000 -5.924 0.000) 5.924 9.633 ( 0.000 5.924 0.000) 5.924 9.828 ( 0.000 -0.439 0.000) 0.439 9.828 ( 0.000 0.439 0.000) 0.439 9.980 ( 0.000 -2.470 0.000) 2.470 9.980 ( 0.000 2.470 0.000) 2.470 10.144 ( 0.000 -2.366 0.000) 2.366 10.144 ( 0.000 2.366 0.000) 2.366 10.407 ( 0.000 -9.547 0.000) 9.547 10.407 ( 0.000 9.547 0.000) 9.547 10.489 ( 0.000 -1.739 0.000) 1.739 10.489 ( 0.000 1.739 0.000) 1.739 10.733 ( 0.000 -12.499 0.000) 12.499 10.733 ( 0.000 12.499 0.000) 12.499 11.013 ( 0.000 -5.659 0.000) 5.659 11.013 ( 0.000 5.659 0.000) 5.659 11.272 ( 0.000 -4.826 0.000) 4.826 11.272 ( 0.000 4.826 0.000) 4.826 11.298 ( 0.000 -5.048 0.000) 5.048 11.298 ( 0.000 5.048 0.000) 5.048 11.557 ( 0.000 -5.315 0.000) 5.315 11.557 ( 0.000 5.315 0.000) 5.315 11.945 ( 0.000 -4.877 0.000) 4.877 11.945 ( 0.000 4.877 0.000) 4.877 12.186 ( 0.000 -3.854 0.000) 3.854 12.186 ( 0.000 3.854 0.000) 3.854 12.355 ( 0.000 -5.399 0.000) 5.399 12.355 ( 0.000 5.399 0.000) 5.399 12.664 ( 0.000 -2.823 0.000) 2.823 12.664 ( 0.000 2.823 0.000) 2.823 12.750 ( 0.000 -6.773 0.000) 6.773 12.750 ( 0.000 6.773 0.000) 6.773 12.943 ( 0.000 -2.512 0.000) 2.512 12.943 ( 0.000 2.512 0.000) 2.512 13.132 ( 0.000 -3.528 0.000) 3.528 13.132 ( 0.000 3.528 0.000) 3.528 13.307 ( 0.000 -0.237 0.000) 0.237 13.307 ( 0.000 0.237 0.000) 0.237 13.348 ( 0.000 -1.570 0.000) 1.570 13.348 ( 0.000 1.570 0.000) 1.570 13.705 ( 0.000 -2.440 0.000) 2.440 13.705 ( 0.000 2.440 0.000) 2.440 13.983 ( 0.000 -0.936 0.000) 0.936 13.983 ( 0.000 0.936 0.000) 0.936 14.226 ( 0.000 -2.617 0.000) 2.617 14.226 ( 0.000 2.617 0.000) 2.617 15.001 ( 0.000 -0.985 0.000) 0.985 15.001 ( 0.000 0.985 0.000) 0.985 15.058 ( 0.000 -2.038 0.000) 2.038 15.058 ( 0.000 2.038 0.000) 2.038 15.140 ( 0.000 -1.509 0.000) 1.509 15.140 ( 0.000 1.509 0.000) 1.509 15.344 ( 0.000 -4.615 0.000) 4.615 15.344 ( 0.000 4.615 0.000) 4.615 15.812 ( 0.000 -2.846 0.000) 2.846 15.812 ( 0.000 2.846 0.000) 2.846 15.927 ( 0.000 -1.515 0.000) 1.515 15.927 ( 0.000 1.515 0.000) 1.515 16.227 ( 0.000 -0.403 0.000) 0.403 16.227 ( 0.000 0.403 0.000) 0.403 16.331 ( 0.000 -1.196 0.000) 1.196 16.331 ( 0.000 1.196 0.000) 1.196 16.465 ( 0.000 -7.481 0.000) 7.481 16.465 ( 0.000 7.481 0.000) 7.481 16.815 ( 0.000 -8.568 0.000) 8.568 16.815 ( 0.000 8.568 0.000) 8.568 17.190 ( 0.000 -2.783 0.000) 2.783 17.190 ( 0.000 2.783 0.000) 2.783 17.350 ( 0.000 -0.282 0.000) 0.282 17.350 ( 0.000 0.282 0.000) 0.282 17.694 ( 0.000 -10.495 0.000) 10.495 17.694 ( 0.000 10.495 0.000) 10.495 19.513 ( 0.000 -0.006 0.000) 0.006 19.513 ( 0.000 0.006 0.000) 0.006 20.154 ( 0.000 -4.973 0.000) 4.973 20.154 ( 0.000 4.973 0.000) 4.973 21.291 ( 0.000 -3.263 0.000) 3.263 21.291 ( 0.000 3.263 0.000) 3.263 21.545 ( 0.000 -8.739 0.000) 8.739 21.545 ( 0.000 8.739 0.000) 8.739 22.546 ( 0.000 -11.531 0.000) 11.531 22.546 ( 0.000 11.531 0.000) 11.531 23.001 ( 0.000 -3.872 0.000) 3.872 23.001 ( 0.000 3.872 0.000) 3.872 24.340 ( 0.000 -2.776 0.000) 2.776 24.340 ( 0.000 2.776 0.000) 2.776 24.629 ( 0.000 -3.140 0.000) 3.140 24.629 ( 0.000 3.140 0.000) 3.140 25.446 ( 0.000 -9.649 0.000) 9.649 25.446 ( 0.000 9.649 0.000) 9.649 25.622 ( 0.000 -13.839 0.000) 13.839 25.622 ( 0.000 13.839 0.000) 13.839 26.719 ( 0.000 -1.040 0.000) 1.040 26.719 ( 0.000 1.040 0.000) 1.040 27.240 ( 0.000 -2.331 0.000) 2.331 27.240 ( 0.000 2.331 0.000) 2.331 27.895 ( 0.000 -4.687 0.000) 4.687 27.895 ( 0.000 4.687 0.000) 4.687 28.180 ( 0.000 -2.891 0.000) 2.891 28.180 ( 0.000 2.891 0.000) 2.891 28.832 ( 0.000 -3.866 0.000) 3.866 28.832 ( 0.000 3.866 0.000) 3.866 28.950 ( 0.000 -4.873 0.000) 4.873 28.950 ( 0.000 4.873 0.000) 4.873 29.302 ( 0.000 -3.170 0.000) 3.170 29.302 ( 0.000 3.170 0.000) 3.170 29.377 ( 0.000 -2.949 0.000) 2.949 29.377 ( 0.000 2.949 0.000) 2.949 30.834 ( 0.000 -2.184 0.000) 2.184 30.834 ( 0.000 2.184 0.000) 2.184 30.911 ( 0.000 -4.376 0.000) 4.376 30.911 ( 0.000 4.376 0.000) 4.376 31.975 ( 0.000 -10.456 0.000) 10.456 31.975 ( 0.000 10.456 0.000) 10.456 32.501 ( 0.000 -0.005 0.000) 0.005 32.501 ( 0.000 0.005 0.000) 0.005 32.710 ( 0.000 -6.431 0.000) 6.431 32.710 ( 0.000 6.431 0.000) 6.431 33.418 ( 0.000 -6.574 0.000) 6.574 33.418 ( 0.000 6.574 0.000) 6.574 99.267 ( 0.000 -2.412 0.000) 2.412 99.267 ( 0.000 2.412 0.000) 2.412 99.471 ( 0.000 -1.330 0.000) 1.330 99.471 ( 0.000 1.330 0.000) 1.330 102.333 ( 0.000 -0.452 0.000) 0.452 102.333 ( 0.000 0.452 0.000) 0.452 102.542 ( 0.000 -5.079 0.000) 5.079 102.542 ( 0.000 5.079 0.000) 5.079 107.328 ( 0.000 -0.515 0.000) 0.515 107.328 ( 0.000 0.515 0.000) 0.515 107.500 ( 0.000 -1.015 0.000) 1.015 107.500 ( 0.000 1.015 0.000) 1.015 109.316 ( 0.000 -0.186 0.000) 0.186 109.316 ( 0.000 0.186 0.000) 0.186 109.340 ( 0.000 -0.028 0.000) 0.028 109.340 ( 0.000 0.028 0.000) 0.028 ======================= Grid point 24 (14/78) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 15.561 -27.042 11.569) 33.276 1.770 ( 15.561 27.042 11.569) 33.276 2.194 ( 4.251 -43.704 7.887) 44.613 2.194 ( 4.251 43.704 7.887) 44.613 3.307 ( 2.654 -9.542 -10.433) 14.386 3.307 ( 2.654 9.542 -10.433) 14.386 3.558 ( 10.204 -45.245 -2.440) 46.445 3.558 ( 10.204 45.245 -2.440) 46.445 4.083 ( -4.787 -12.415 -5.356) 14.343 4.083 ( -4.787 12.415 -5.356) 14.343 4.325 ( 0.658 -9.396 14.709) 17.466 4.325 ( 0.658 9.396 14.709) 17.466 4.483 ( 5.504 -12.379 -16.601) 21.427 4.483 ( 5.504 12.379 -16.601) 21.427 4.830 ( 4.983 -6.804 1.375) 8.545 4.830 ( 4.983 6.804 1.375) 8.545 4.950 ( 0.266 -13.685 4.444) 14.390 4.950 ( 0.266 13.685 4.444) 14.390 5.263 ( 3.469 -5.710 7.929) 10.369 5.263 ( 3.469 5.710 7.929) 10.369 5.643 ( -1.789 -3.294 -4.044) 5.514 5.643 ( -1.789 3.294 -4.044) 5.514 5.869 ( 0.811 -2.272 -0.807) 2.544 5.869 ( 0.811 2.272 -0.807) 2.544 5.990 ( -0.211 -2.482 0.806) 2.618 5.990 ( -0.211 2.482 0.806) 2.618 6.102 ( -4.862 -4.633 1.986) 7.004 6.102 ( -4.862 4.633 1.986) 7.004 6.220 ( 4.721 -17.169 -1.399) 17.862 6.220 ( 4.721 17.169 -1.399) 17.862 6.379 ( -0.913 -10.528 -0.278) 10.571 6.379 ( -0.913 10.528 -0.278) 10.571 6.605 ( -0.615 -11.783 -2.054) 11.976 6.605 ( -0.615 11.783 -2.054) 11.976 6.837 ( 7.705 -4.696 -0.649) 9.047 6.837 ( 7.705 4.696 -0.649) 9.047 7.116 ( -2.619 -7.796 5.278) 9.772 7.116 ( -2.619 7.796 5.278) 9.772 7.305 ( -4.626 -1.788 -4.226) 6.516 7.305 ( -4.626 1.788 -4.226) 6.516 7.431 ( -1.017 -1.187 -2.474) 2.926 7.431 ( -1.017 1.187 -2.474) 2.926 7.691 ( -4.226 -5.489 -4.312) 8.160 7.691 ( -4.226 5.489 -4.312) 8.160 7.930 ( -2.424 -3.365 1.728) 4.493 7.930 ( -2.424 3.365 1.728) 4.493 8.025 ( -4.410 -2.575 3.068) 5.958 8.025 ( -4.410 2.575 3.068) 5.958 8.209 ( -0.594 -5.528 -0.890) 5.631 8.209 ( -0.594 5.528 -0.890) 5.631 8.430 ( 1.265 -3.769 0.494) 4.006 8.430 ( 1.265 3.769 0.494) 4.006 8.524 ( -3.739 -5.061 1.780) 6.539 8.524 ( -3.739 5.061 1.780) 6.539 8.930 ( -0.477 -3.415 -4.536) 5.697 8.930 ( -0.477 3.415 -4.536) 5.697 9.012 ( 0.744 -3.627 1.250) 3.908 9.012 ( 0.744 3.627 1.250) 3.908 9.196 ( 1.106 -2.381 2.960) 3.957 9.196 ( 1.106 2.381 2.960) 3.957 9.344 ( -0.116 -2.820 -1.480) 3.186 9.344 ( -0.116 2.820 -1.480) 3.186 9.623 ( -2.361 -5.440 1.721) 6.175 9.623 ( -2.361 5.440 1.721) 6.175 9.874 ( -2.609 -3.111 1.791) 4.438 9.874 ( -2.609 3.111 1.791) 4.438 9.930 ( 1.256 -0.177 1.021) 1.628 9.930 ( 1.256 0.177 1.021) 1.628 10.176 ( 3.409 -2.574 -0.421) 4.292 10.176 ( 3.409 2.574 -0.421) 4.292 10.374 ( -3.748 -3.798 1.628) 5.579 10.374 ( -3.748 3.798 1.628) 5.579 10.608 ( 4.388 -10.866 -1.797) 11.856 10.608 ( 4.388 10.866 -1.797) 11.856 10.708 ( 0.676 -5.458 6.763) 8.717 10.708 ( 0.676 5.458 6.763) 8.717 10.992 ( -4.249 -4.572 1.614) 6.447 10.992 ( -4.249 4.572 1.614) 6.447 11.140 ( -1.070 -4.449 -5.245) 6.961 11.140 ( -1.070 4.449 -5.245) 6.961 11.381 ( 2.364 -5.667 -3.251) 6.948 11.381 ( 2.364 5.667 -3.251) 6.948 11.622 ( 2.706 -4.058 4.101) 6.372 11.622 ( 2.706 4.058 4.101) 6.372 11.997 ( 4.923 -6.356 0.006) 8.040 11.997 ( 4.923 6.356 0.006) 8.040 12.130 ( -5.663 -1.743 2.374) 6.383 12.130 ( -5.663 1.743 2.374) 6.383 12.364 ( 2.243 -0.589 -5.159) 5.656 12.364 ( 2.243 0.589 -5.159) 5.656 12.596 ( -4.315 -2.735 1.569) 5.344 12.596 ( -4.315 2.735 1.569) 5.344 12.767 ( -2.996 -6.867 -1.090) 7.572 12.767 ( -2.996 6.867 -1.090) 7.572 12.903 ( -0.179 -2.575 2.931) 3.906 12.903 ( -0.179 2.575 2.931) 3.906 13.144 ( -1.419 -3.858 3.075) 5.133 13.144 ( -1.419 3.858 3.075) 5.133 13.344 ( 3.456 -2.171 -2.029) 4.558 13.344 ( 3.456 2.171 -2.029) 4.558 13.408 ( 7.160 -4.063 -2.561) 8.621 13.408 ( 7.160 4.063 -2.561) 8.621 13.573 ( -7.195 -0.645 -5.727) 9.219 13.573 ( -7.195 0.645 -5.727) 9.219 14.028 ( -0.475 -7.181 -0.749) 7.236 14.028 ( -0.475 7.181 -0.749) 7.236 14.266 ( 6.420 -2.683 0.959) 7.024 14.266 ( 6.420 2.683 0.959) 7.024 14.904 ( -6.525 -8.877 -1.461) 11.114 14.904 ( -6.525 8.877 -1.461) 11.114 15.027 ( 1.201 -2.530 -2.592) 3.816 15.027 ( 1.201 2.530 -2.592) 3.816 15.214 ( -4.046 -3.194 13.803) 14.735 15.214 ( -4.046 3.194 13.803) 14.735 15.354 ( 0.392 -4.681 2.144) 5.164 15.354 ( 0.392 4.681 2.144) 5.164 15.792 ( -1.103 -2.126 -0.560) 2.459 15.792 ( -1.103 2.126 -0.560) 2.459 15.941 ( 0.968 -2.619 0.155) 2.797 15.941 ( 0.968 2.619 0.155) 2.797 16.254 ( 0.947 -3.563 1.068) 3.838 16.254 ( 0.947 3.563 1.068) 3.838 16.388 ( 5.029 -5.828 -0.259) 7.702 16.388 ( 5.029 5.828 -0.259) 7.702 16.507 ( 6.296 -5.545 -3.754) 9.191 16.507 ( 6.296 5.545 -3.754) 9.191 16.813 ( 0.506 -8.336 -1.506) 8.486 16.813 ( 0.506 8.336 -1.506) 8.486 17.183 ( -2.054 -1.336 3.511) 4.281 17.183 ( -2.054 1.336 3.511) 4.281 17.358 ( 2.109 -3.027 -3.711) 5.232 17.358 ( 2.109 3.027 -3.711) 5.232 17.649 ( -3.861 -9.924 -1.512) 10.756 17.649 ( -3.861 9.924 -1.512) 10.756 19.502 ( -1.566 -0.729 0.747) 1.882 19.502 ( -1.566 0.729 0.747) 1.882 20.074 ( -4.731 -7.644 -4.353) 9.988 20.074 ( -4.731 7.644 -4.353) 9.988 21.323 ( 1.966 -2.400 1.508) 3.450 21.323 ( 1.966 2.400 1.508) 3.450 21.498 ( -2.929 -7.298 -2.837) 8.360 21.498 ( -2.929 7.298 -2.837) 8.360 22.518 ( -2.211 -11.339 -1.753) 11.685 22.518 ( -2.211 11.339 -1.753) 11.685 22.881 ( -8.942 -9.585 -1.886) 13.244 22.881 ( -8.942 9.585 -1.886) 13.244 24.381 ( 3.842 -2.222 0.396) 4.456 24.381 ( 3.842 2.222 0.396) 4.456 24.653 ( 2.974 -2.937 -1.445) 4.423 24.653 ( 2.974 2.937 -1.445) 4.423 25.408 ( -2.878 -6.637 -2.246) 7.575 25.408 ( -2.878 6.637 -2.246) 7.575 25.583 ( -4.048 -11.110 2.909) 12.177 25.583 ( -4.048 11.110 2.909) 12.177 26.714 ( -2.089 -0.274 4.021) 4.540 26.714 ( -2.089 0.274 4.021) 4.540 27.219 ( -2.075 -2.183 -0.251) 3.022 27.219 ( -2.075 2.183 -0.251) 3.022 27.875 ( -1.680 -3.737 0.972) 4.211 27.875 ( -1.680 3.737 0.972) 4.211 28.218 ( 2.303 -4.006 0.470) 4.645 28.218 ( 2.303 4.006 0.470) 4.645 28.804 ( -4.501 -2.534 0.754) 5.220 28.804 ( -4.501 2.534 0.754) 5.220 29.040 ( 2.014 -6.940 2.153) 7.540 29.040 ( 2.014 6.940 2.153) 7.540 29.362 ( 10.852 -2.523 -2.327) 11.382 29.362 ( 10.852 2.523 -2.327) 11.382 29.540 ( 14.111 -3.673 4.217) 15.179 29.540 ( 14.111 3.673 4.217) 15.179 30.786 ( 0.254 -2.809 -5.039) 5.775 30.786 ( 0.254 2.809 -5.039) 5.775 31.042 ( 8.645 -0.719 3.507) 9.357 31.042 ( 8.645 0.719 3.507) 9.357 31.982 ( 0.564 -10.254 0.332) 10.275 31.982 ( 0.564 10.254 0.332) 10.275 32.484 ( -0.654 -1.762 -2.485) 3.116 32.484 ( -0.654 1.762 -2.485) 3.116 32.706 ( -0.843 -5.694 1.303) 5.902 32.706 ( -0.843 5.694 1.303) 5.902 33.245 ( -12.176 -1.131 -6.965) 14.072 33.245 ( -12.176 1.131 -6.965) 14.072 99.268 ( 0.379 -2.320 -0.581) 2.421 99.268 ( 0.379 2.320 -0.581) 2.421 99.444 ( -2.202 -0.762 -0.079) 2.331 99.444 ( -2.202 0.762 -0.079) 2.331 102.315 ( -0.995 -1.210 -1.184) 1.964 102.315 ( -0.995 1.210 -1.184) 1.964 102.539 ( -0.743 -4.758 0.918) 4.903 102.539 ( -0.743 4.758 0.918) 4.903 107.338 ( 0.720 -0.441 0.463) 0.963 107.338 ( 0.720 0.441 0.463) 0.963 107.472 ( -1.622 -0.344 -1.453) 2.205 107.472 ( -1.622 0.344 -1.453) 2.205 109.318 ( 0.218 -0.118 -0.308) 0.396 109.318 ( 0.218 0.118 -0.308) 0.396 109.352 ( 0.828 -1.065 0.738) 1.537 109.352 ( 0.828 1.065 0.738) 1.537 ======================= Grid point 26 (15/78) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 18.621 -5.748 13.394) 23.647 2.232 ( 18.621 5.748 13.394) 23.647 2.456 ( 16.508 -18.835 9.133) 26.658 2.456 ( 16.508 18.835 9.133) 26.658 3.329 ( 7.777 -0.827 -3.972) 8.771 3.329 ( 7.777 0.827 -3.972) 8.771 3.730 ( 4.503 -15.411 -6.407) 17.287 3.730 ( 4.503 15.411 -6.407) 17.287 4.005 ( 6.730 -17.892 -4.945) 19.745 4.005 ( 6.730 17.892 -4.945) 19.745 4.376 ( -1.891 -7.886 3.748) 8.934 4.376 ( -1.891 7.886 3.748) 8.934 4.516 ( 10.353 -8.982 -13.303) 19.101 4.516 ( 10.353 8.982 -13.303) 19.101 4.848 ( -0.678 -5.240 -0.903) 5.361 4.848 ( -0.678 5.240 -0.903) 5.361 5.076 ( 3.450 -10.117 2.351) 10.944 5.076 ( 3.450 10.117 2.351) 10.944 5.387 ( 1.901 -5.947 11.179) 12.804 5.387 ( 1.901 5.947 11.179) 12.804 5.611 ( -1.004 -5.582 -0.281) 5.678 5.611 ( -1.004 5.582 -0.281) 5.678 5.848 ( -1.557 -2.068 -2.926) 3.907 5.848 ( -1.557 2.068 -2.926) 3.907 5.919 ( -7.673 -2.394 5.018) 9.476 5.919 ( -7.673 2.394 5.018) 9.476 6.086 ( 1.103 -4.646 3.478) 5.907 6.086 ( 1.103 4.646 3.478) 5.907 6.290 ( 4.505 -3.076 -4.520) 7.084 6.290 ( 4.505 3.076 -4.520) 7.084 6.375 ( -0.336 -6.213 0.223) 6.226 6.375 ( -0.336 6.213 0.223) 6.226 6.562 ( 0.188 -9.859 -4.819) 10.975 6.562 ( 0.188 9.859 -4.819) 10.975 6.898 ( -2.638 -7.906 -0.462) 8.348 6.898 ( -2.638 7.906 -0.462) 8.348 7.104 ( -5.248 -4.295 5.828) 8.942 7.104 ( -5.248 4.295 5.828) 8.942 7.183 ( -1.948 -0.523 -5.755) 6.098 7.183 ( -1.948 0.523 -5.755) 6.098 7.407 ( 0.695 -2.655 -1.215) 3.001 7.407 ( 0.695 2.655 -1.215) 3.001 7.628 ( 1.409 -5.366 2.227) 5.978 7.628 ( 1.409 5.366 2.227) 5.978 7.863 ( -3.735 -1.267 -3.402) 5.208 7.863 ( -3.735 1.267 -3.402) 5.208 7.970 ( -5.743 -5.035 4.364) 8.797 7.970 ( -5.743 5.035 4.364) 8.797 8.195 ( -0.348 -5.828 1.041) 5.931 8.195 ( -0.348 5.828 1.041) 5.931 8.411 ( -3.540 -3.829 0.939) 5.299 8.411 ( -3.540 3.829 0.939) 5.299 8.517 ( 1.935 -4.597 -1.184) 5.126 8.517 ( 1.935 4.597 -1.184) 5.126 8.876 ( -1.078 -8.552 -2.173) 8.889 8.876 ( -1.078 8.552 -2.173) 8.889 9.049 ( 1.598 -4.999 0.322) 5.258 9.049 ( 1.598 4.999 0.322) 5.258 9.250 ( 0.788 -3.687 3.735) 5.306 9.250 ( 0.788 3.687 3.735) 5.306 9.313 ( -0.781 -0.298 -3.402) 3.504 9.313 ( -0.781 0.298 -3.402) 3.504 9.592 ( -1.509 -5.819 1.976) 6.328 9.592 ( -1.509 5.819 1.976) 6.328 9.757 ( -6.039 -3.940 -0.711) 7.245 9.757 ( -6.039 3.940 -0.711) 7.245 10.019 ( 4.731 -4.052 -1.446) 6.395 10.019 ( 4.731 4.052 -1.446) 6.395 10.232 ( -4.312 -6.065 3.948) 8.424 10.232 ( -4.312 6.065 3.948) 8.424 10.348 ( 2.691 -6.757 5.197) 8.939 10.348 ( 2.691 6.757 5.197) 8.939 10.558 ( -2.121 -5.705 -5.082) 7.929 10.558 ( -2.121 5.705 -5.082) 7.929 10.778 ( -1.730 -4.007 0.014) 4.365 10.778 ( -1.730 4.007 0.014) 4.365 11.004 ( 3.839 -9.229 3.055) 10.452 11.004 ( 3.839 9.229 3.055) 10.452 11.115 ( -0.391 -3.567 -2.306) 4.266 11.115 ( -0.391 3.567 -2.306) 4.266 11.349 ( -0.671 -5.339 -2.888) 6.107 11.349 ( -0.671 5.339 -2.888) 6.107 11.704 ( 2.238 -4.035 4.575) 6.498 11.704 ( 2.238 4.035 4.575) 6.498 11.978 ( -7.130 -6.018 1.291) 9.419 11.978 ( -7.130 6.018 1.291) 9.419 12.149 ( 5.197 -5.421 -1.001) 7.576 12.149 ( 5.197 5.421 -1.001) 7.576 12.345 ( 0.095 -4.819 -3.558) 5.991 12.345 ( 0.095 4.819 -3.558) 5.991 12.561 ( -0.745 -8.006 0.235) 8.044 12.561 ( -0.745 8.006 0.235) 8.044 12.646 ( -6.913 -5.530 2.074) 9.093 12.646 ( -6.913 5.530 2.074) 9.093 12.955 ( 0.393 -0.745 1.330) 1.574 12.955 ( 0.393 0.745 1.330) 1.574 13.148 ( 0.069 -2.880 2.951) 4.124 13.148 ( 0.069 2.880 2.951) 4.124 13.368 ( 0.571 -2.294 -8.846) 9.157 13.368 ( 0.571 2.294 -8.846) 9.157 13.404 ( -0.869 -3.469 2.391) 4.302 13.404 ( -0.869 3.469 2.391) 4.302 13.591 ( 8.352 -4.694 1.158) 9.650 13.591 ( 8.352 4.694 1.158) 9.650 13.956 ( -2.960 -7.309 -3.259) 8.532 13.956 ( -2.960 7.309 -3.259) 8.532 14.406 ( 4.811 -3.472 -2.261) 6.349 14.406 ( 4.811 3.472 -2.261) 6.349 14.813 ( -1.974 -14.195 1.290) 14.389 14.813 ( -1.974 14.195 1.290) 14.389 15.039 ( 1.741 -1.205 -0.715) 2.234 15.039 ( 1.741 1.205 -0.715) 2.234 15.218 ( -3.674 -2.100 7.020) 8.197 15.218 ( -3.674 2.100 7.020) 8.197 15.376 ( -0.590 -4.246 2.574) 5.000 15.376 ( -0.590 4.246 2.574) 5.000 15.787 ( 0.227 -0.862 1.866) 2.068 15.787 ( 0.227 0.862 1.866) 2.068 15.943 ( -1.787 -3.129 1.877) 4.063 15.943 ( -1.787 3.129 1.877) 4.063 16.285 ( 1.572 -5.255 0.506) 5.508 16.285 ( 1.572 5.255 0.506) 5.508 16.464 ( 3.637 -7.377 -0.897) 8.273 16.464 ( 3.637 7.377 -0.897) 8.273 16.605 ( 4.476 -4.188 -2.787) 6.734 16.605 ( 4.476 4.188 -2.787) 6.734 16.823 ( 3.308 -5.984 -2.982) 7.460 16.823 ( 3.308 5.984 -2.982) 7.460 17.172 ( -2.644 -2.286 3.917) 5.250 17.172 ( -2.644 2.286 3.917) 5.250 17.360 ( 1.356 -6.939 -3.884) 8.067 17.360 ( 1.356 6.939 -3.884) 8.067 17.543 ( -4.765 -8.028 -1.928) 9.533 17.543 ( -4.765 8.028 -1.928) 9.533 19.464 ( -3.038 -1.962 1.000) 3.752 19.464 ( -3.038 1.962 1.000) 3.752 19.961 ( -2.529 -8.544 -4.404) 9.939 19.961 ( -2.529 8.544 -4.404) 9.939 21.352 ( -0.087 -1.892 -1.390) 2.349 21.352 ( -0.087 1.892 -1.390) 2.349 21.429 ( -1.502 -3.043 -0.651) 3.455 21.429 ( -1.502 3.043 -0.651) 3.455 22.441 ( -3.393 -9.374 -2.352) 10.242 22.441 ( -3.393 9.374 -2.352) 10.242 22.712 ( -7.206 -10.498 -0.248) 12.736 22.712 ( -7.206 10.498 -0.248) 12.736 24.475 ( 5.034 -1.460 0.381) 5.256 24.475 ( 5.034 1.460 0.381) 5.256 24.709 ( 3.802 -2.599 -1.195) 4.758 24.709 ( 3.802 2.599 -1.195) 4.758 25.317 ( -4.500 -4.954 -1.073) 6.778 25.317 ( -4.500 4.954 -1.073) 6.778 25.539 ( -3.072 -5.688 2.678) 6.998 25.539 ( -3.072 5.688 2.678) 6.998 26.712 ( -2.145 -0.733 5.406) 5.862 26.712 ( -2.145 0.733 5.406) 5.862 27.162 ( -3.189 -1.557 -0.680) 3.614 27.162 ( -3.189 1.557 -0.680) 3.614 27.859 ( -1.809 -3.391 2.952) 4.846 27.859 ( -1.809 3.391 2.952) 4.846 28.234 ( -0.576 -5.169 -1.818) 5.509 28.234 ( -0.576 5.169 -1.818) 5.509 28.697 ( -5.614 -3.215 -1.521) 6.645 28.697 ( -5.614 3.215 -1.521) 6.645 29.029 ( -1.962 -6.496 -0.263) 6.791 29.029 ( -1.962 6.496 -0.263) 6.791 29.595 ( 12.837 -1.106 1.034) 12.926 29.595 ( 12.837 1.106 1.034) 12.926 29.902 ( 16.179 -5.339 4.026) 17.507 29.902 ( 16.179 5.339 4.026) 17.507 30.780 ( 3.149 -4.411 -4.087) 6.788 30.780 ( 3.149 4.411 -4.087) 6.788 31.252 ( 9.740 -3.242 2.417) 10.546 31.252 ( 9.740 3.242 2.417) 10.546 31.999 ( 0.972 -9.214 0.261) 9.269 31.999 ( 0.972 9.214 0.261) 9.269 32.432 ( -2.026 -2.471 -4.107) 5.204 32.432 ( -2.026 2.471 -4.107) 5.204 32.705 ( -0.659 -3.582 2.152) 4.231 32.705 ( -0.659 3.582 2.152) 4.231 32.952 ( -10.841 -2.867 -5.891) 12.667 32.952 ( -10.841 2.867 -5.891) 12.667 99.270 ( 0.447 -1.918 -1.008) 2.212 99.270 ( 0.447 1.918 -1.008) 2.212 99.405 ( -1.911 -1.194 0.804) 2.393 99.405 ( -1.911 1.194 0.804) 2.393 102.287 ( -0.822 -1.413 -1.015) 1.924 102.287 ( -0.822 1.413 -1.015) 1.924 102.529 ( -1.320 -3.782 1.359) 4.230 102.529 ( -1.320 3.782 1.359) 4.230 107.356 ( 0.650 -0.199 0.204) 0.709 107.356 ( 0.650 0.199 0.204) 0.709 107.436 ( -0.741 -0.309 -0.981) 1.268 107.436 ( -0.741 0.309 -0.981) 1.268 109.319 ( 0.211 -0.107 -0.433) 0.494 109.319 ( 0.211 0.107 -0.433) 0.494 109.375 ( 0.759 -1.476 0.606) 1.767 109.375 ( 0.759 1.476 0.606) 1.767 ======================= Grid point 28 (16/78) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 18.020 -13.656 8.671) 24.216 2.669 ( 18.020 13.656 8.671) 24.216 2.910 ( 19.893 -13.638 7.890) 25.377 2.910 ( 19.893 13.638 7.890) 25.377 3.515 ( 10.025 -6.709 -3.137) 12.464 3.515 ( 10.025 6.709 -3.137) 12.464 3.676 ( 0.598 -5.136 0.189) 5.174 3.676 ( 0.598 5.136 0.189) 5.174 4.179 ( 12.609 -2.574 -6.888) 14.596 4.179 ( 12.609 2.574 -6.888) 14.596 4.362 ( -0.718 -8.854 0.955) 8.934 4.362 ( -0.718 8.854 0.955) 8.934 4.655 ( 13.928 -4.687 -13.745) 20.122 4.655 ( 13.928 4.687 -13.745) 20.122 4.864 ( 1.057 -4.091 2.304) 4.813 4.864 ( 1.057 4.091 2.304) 4.813 5.024 ( -6.670 -10.833 4.086) 13.362 5.024 ( -6.670 10.833 4.086) 13.362 5.442 ( -6.747 -7.043 1.630) 9.888 5.442 ( -6.747 7.043 1.630) 9.888 5.541 ( -2.813 -0.320 -5.013) 5.757 5.541 ( -2.813 0.320 -5.013) 5.757 5.770 ( -4.064 -0.252 5.120) 6.542 5.770 ( -4.064 0.252 5.120) 6.542 5.975 ( 6.113 -5.761 5.307) 9.936 5.975 ( 6.113 5.761 5.307) 9.936 6.106 ( -0.473 -4.501 0.583) 4.563 6.106 ( -0.473 4.501 0.583) 4.563 6.300 ( -4.185 -7.895 -0.548) 8.952 6.300 ( -4.185 7.895 -0.548) 8.952 6.361 ( 2.696 -3.189 0.129) 4.177 6.361 ( 2.696 3.189 0.129) 4.177 6.573 ( 1.957 -2.796 -1.811) 3.864 6.573 ( 1.957 2.796 -1.811) 3.864 6.773 ( -7.127 -8.157 -0.685) 10.853 6.773 ( -7.127 8.157 -0.685) 10.853 6.971 ( -12.047 -2.158 7.051) 14.125 6.971 ( -12.047 2.158 7.051) 14.125 7.182 ( 6.015 -3.490 -7.431) 10.178 7.182 ( 6.015 3.490 -7.431) 10.178 7.423 ( 0.968 -6.032 -0.367) 6.120 7.423 ( 0.968 6.032 -0.367) 6.120 7.704 ( -7.500 -5.064 -1.557) 9.182 7.704 ( -7.500 5.064 -1.557) 9.182 7.771 ( 6.191 -5.394 2.247) 8.513 7.771 ( 6.191 5.394 2.247) 8.513 7.913 ( -2.488 -4.179 3.934) 6.255 7.913 ( -2.488 4.179 3.934) 6.255 8.216 ( -0.448 -1.777 4.183) 4.567 8.216 ( -0.448 1.777 4.183) 4.567 8.347 ( -1.291 -1.962 -6.793) 7.188 8.347 ( -1.291 1.962 -6.793) 7.188 8.528 ( 0.283 -5.205 1.392) 5.395 8.528 ( 0.283 5.205 1.392) 5.395 8.862 ( 1.748 -9.340 -3.682) 10.191 8.862 ( 1.748 9.340 -3.682) 10.191 9.067 ( -0.522 -5.959 1.782) 6.241 9.067 ( -0.522 5.959 1.782) 6.241 9.224 ( -5.119 -4.937 2.616) 7.578 9.224 ( -5.119 4.937 2.616) 7.578 9.311 ( 2.291 -2.131 -1.993) 3.710 9.311 ( 2.291 2.131 -1.993) 3.710 9.596 ( 0.895 -0.843 -1.089) 1.643 9.596 ( 0.895 0.843 -1.089) 1.643 9.719 ( 1.379 -3.091 3.026) 4.540 9.719 ( 1.379 3.091 3.026) 4.540 9.999 ( -6.649 -5.087 -0.924) 8.423 9.999 ( -6.649 5.087 -0.924) 8.423 10.183 ( -0.517 -6.068 1.271) 6.221 10.183 ( -0.517 6.068 1.271) 6.221 10.456 ( -1.919 -1.891 0.337) 2.715 10.456 ( -1.919 1.891 0.337) 2.715 10.493 ( 4.341 -14.422 -1.502) 15.136 10.493 ( 4.341 14.422 -1.502) 15.136 10.740 ( -0.286 -6.448 -3.213) 7.210 10.740 ( -0.286 6.448 -3.213) 7.210 10.974 ( -4.245 -2.958 -2.703) 5.837 10.974 ( -4.245 2.958 -2.703) 5.837 11.146 ( 0.921 -1.227 3.223) 3.570 11.146 ( 0.921 1.227 3.223) 3.570 11.367 ( 3.358 -3.992 0.050) 5.217 11.367 ( 3.358 3.992 0.050) 5.217 11.759 ( -2.629 -2.185 5.248) 6.263 11.759 ( -2.629 2.185 5.248) 6.263 11.864 ( -3.870 -5.325 1.268) 6.704 11.864 ( -3.870 5.325 1.268) 6.704 12.159 ( -1.546 -1.877 -4.577) 5.183 12.159 ( -1.546 1.877 -4.577) 5.183 12.322 ( -1.385 -3.264 0.322) 3.560 12.322 ( -1.385 3.264 0.322) 3.560 12.519 ( -4.298 -1.823 0.744) 4.728 12.519 ( -4.298 1.823 0.744) 4.728 12.633 ( 4.573 -2.212 0.427) 5.098 12.633 ( 4.573 2.212 0.427) 5.098 12.936 ( -0.745 -0.083 -1.264) 1.469 12.936 ( -0.745 0.083 -1.264) 1.469 13.181 ( -0.724 -4.002 3.968) 5.682 13.181 ( -0.724 4.002 3.968) 5.682 13.344 ( 2.913 -2.469 -2.611) 4.626 13.344 ( 2.913 2.469 -2.611) 4.626 13.437 ( 0.955 -2.872 0.771) 3.123 13.437 ( 0.955 2.872 0.771) 3.123 13.741 ( 5.457 -2.548 0.719) 6.065 13.741 ( 5.457 2.548 0.719) 6.065 13.905 ( -0.136 -4.737 -0.799) 4.806 13.905 ( -0.136 4.737 -0.799) 4.806 14.388 ( -0.538 -0.314 -5.747) 5.780 14.388 ( -0.538 0.314 -5.747) 5.780 14.820 ( -0.716 -9.457 1.678) 9.631 14.820 ( -0.716 9.457 1.678) 9.631 15.089 ( 2.572 -5.480 1.185) 6.169 15.089 ( 2.572 5.480 1.185) 6.169 15.209 ( -0.611 -0.514 0.950) 1.241 15.209 ( -0.611 0.514 0.950) 1.241 15.381 ( -0.235 -3.964 1.607) 4.284 15.381 ( -0.235 3.964 1.607) 4.284 15.805 ( -1.869 -1.899 2.730) 3.814 15.805 ( -1.869 1.899 2.730) 3.814 15.936 ( 0.860 -2.945 2.097) 3.717 15.936 ( 0.860 2.945 2.097) 3.717 16.302 ( 0.325 -5.356 -1.927) 5.702 16.302 ( 0.325 5.356 -1.927) 5.702 16.522 ( 2.947 -3.894 -0.992) 4.983 16.522 ( 2.947 3.894 -0.992) 4.983 16.618 ( 0.222 -5.626 -0.535) 5.655 16.618 ( 0.222 5.626 -0.535) 5.655 16.883 ( 3.239 -6.450 -1.318) 7.337 16.883 ( 3.239 6.450 -1.318) 7.337 17.128 ( -3.226 -2.315 -1.146) 4.133 17.128 ( -3.226 2.315 -1.146) 4.133 17.349 ( 0.848 -7.642 -2.529) 8.094 17.349 ( 0.848 7.642 -2.529) 8.094 17.475 ( -2.084 -1.442 1.906) 3.171 17.475 ( -2.084 1.442 1.906) 3.171 19.416 ( -2.655 -2.422 1.409) 3.860 19.416 ( -2.655 2.422 1.409) 3.860 19.901 ( -0.665 -5.351 -3.483) 6.419 19.901 ( -0.665 5.351 -3.483) 6.419 21.315 ( -0.495 -3.012 -3.176) 4.405 21.315 ( -0.495 3.012 -3.176) 4.405 21.419 ( -0.907 -1.619 1.421) 2.337 21.419 ( -0.907 1.619 1.421) 2.337 22.372 ( -2.163 -7.819 -0.815) 8.154 22.372 ( -2.163 7.819 -0.815) 8.154 22.594 ( -5.190 -8.953 -0.102) 10.349 22.594 ( -5.190 8.953 -0.102) 10.349 24.563 ( 3.718 -1.007 0.036) 3.852 24.563 ( 3.718 1.007 0.036) 3.852 24.772 ( 3.366 -3.002 -0.546) 4.543 24.772 ( 3.366 3.002 -0.546) 4.543 25.233 ( -3.678 -4.898 0.049) 6.125 25.233 ( -3.678 4.898 0.049) 6.125 25.506 ( -2.241 -3.288 1.374) 4.210 25.506 ( -2.241 3.288 1.374) 4.210 26.722 ( -1.533 -1.153 5.210) 5.552 26.722 ( -1.533 1.153 5.210) 5.552 27.095 ( -2.908 -0.728 -0.872) 3.122 27.095 ( -2.908 0.728 -0.872) 3.122 27.853 ( -1.883 -2.561 4.091) 5.181 27.853 ( -1.883 2.561 4.091) 5.181 28.169 ( -2.853 -5.186 -4.535) 7.456 28.169 ( -2.853 5.186 -4.535) 7.456 28.583 ( -4.613 -3.079 -1.738) 5.812 28.583 ( -4.613 3.079 -1.738) 5.812 28.991 ( -1.425 -5.420 -0.433) 5.621 28.991 ( -1.425 5.420 -0.433) 5.621 29.847 ( 11.401 -2.093 2.002) 11.763 29.847 ( 11.401 2.093 2.002) 11.763 30.160 ( 8.490 -1.958 1.038) 8.774 30.160 ( 8.490 1.958 1.038) 8.774 30.838 ( 5.204 -5.995 -1.573) 8.093 30.838 ( 5.204 5.995 -1.573) 8.093 31.430 ( 6.792 -4.176 1.534) 8.119 31.430 ( 6.792 4.176 1.534) 8.119 32.027 ( 1.677 -6.652 0.324) 6.867 32.027 ( 1.677 6.652 0.324) 6.867 32.342 ( -3.423 -2.550 -3.834) 5.738 32.342 ( -3.423 2.550 -3.834) 5.738 32.701 ( -2.599 -1.040 -0.929) 2.949 32.701 ( -2.599 1.040 -0.929) 2.949 32.778 ( -2.811 -3.193 -0.105) 4.256 32.778 ( -2.811 3.193 -0.105) 4.256 99.268 ( 0.321 -1.311 -0.961) 1.657 99.268 ( 0.321 1.311 -0.961) 1.657 99.385 ( -1.176 -0.968 1.146) 1.906 99.385 ( -1.176 0.968 1.146) 1.906 102.267 ( -0.569 -0.945 -0.562) 1.238 102.267 ( -0.569 0.945 -0.562) 1.238 102.512 ( -1.454 -2.328 1.201) 2.997 102.512 ( -1.454 2.328 1.201) 2.997 107.361 ( 0.124 -0.567 -0.554) 0.803 107.361 ( 0.124 0.567 -0.554) 0.803 107.431 ( 0.358 -0.698 0.168) 0.802 107.431 ( 0.358 0.698 0.168) 0.802 109.320 ( 0.233 -0.194 -0.375) 0.482 109.320 ( 0.233 0.194 -0.375) 0.482 109.390 ( 0.487 -1.419 0.323) 1.535 109.390 ( 0.487 1.419 0.323) 1.535 ======================= Grid point 30 (17/78) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 11.792 -8.999 4.280) 15.439 3.028 ( 11.792 8.999 4.280) 15.439 3.266 ( 10.474 -7.072 3.282) 13.057 3.266 ( 10.474 7.072 3.282) 13.057 3.515 ( 0.386 -4.328 -1.012) 4.461 3.515 ( 0.386 4.328 -1.012) 4.461 3.908 ( 15.542 -6.093 -1.389) 16.751 3.908 ( 15.542 6.093 -1.389) 16.751 4.337 ( 7.282 -4.023 -2.961) 8.830 4.337 ( 7.282 4.023 -2.961) 8.830 4.384 ( 3.393 -3.197 -1.440) 4.879 4.384 ( 3.393 3.197 -1.440) 4.879 4.684 ( -4.687 -1.500 0.540) 4.951 4.684 ( -4.687 1.500 0.540) 4.951 4.864 ( -1.613 -6.796 0.832) 7.034 4.864 ( -1.613 6.796 0.832) 7.034 5.040 ( 1.410 -10.359 2.701) 10.798 5.040 ( 1.410 10.359 2.701) 10.798 5.316 ( -1.354 -5.292 -5.526) 7.770 5.316 ( -1.354 5.292 -5.526) 7.770 5.428 ( -2.748 -1.419 -2.888) 4.232 5.428 ( -2.748 1.419 -2.888) 4.232 5.741 ( -2.813 -2.120 2.064) 4.082 5.741 ( -2.813 2.120 2.064) 4.082 6.017 ( -2.526 -2.584 -0.085) 3.614 6.017 ( -2.526 2.584 -0.085) 3.614 6.173 ( -0.116 -6.519 0.083) 6.520 6.173 ( -0.116 6.519 0.083) 6.520 6.242 ( 2.281 -8.736 3.032) 9.524 6.242 ( 2.281 8.736 3.032) 9.524 6.419 ( -0.076 -8.533 3.801) 9.342 6.419 ( -0.076 8.533 3.801) 9.342 6.526 ( -5.309 -2.457 0.987) 5.932 6.526 ( -5.308 2.457 0.987) 5.932 6.688 ( -0.850 -1.425 -2.685) 3.156 6.688 ( -0.850 1.425 -2.685) 3.156 6.844 ( -4.105 -3.199 3.008) 6.012 6.844 ( -4.105 3.199 3.008) 6.012 7.233 ( 3.880 -3.773 -4.155) 6.823 7.233 ( 3.880 3.773 -4.155) 6.823 7.411 ( -2.821 -5.171 -1.118) 5.996 7.411 ( -2.821 5.171 -1.118) 5.996 7.571 ( -1.874 -1.414 0.527) 2.406 7.571 ( -1.874 1.414 0.527) 2.406 7.898 ( 2.051 -2.591 3.090) 4.524 7.898 ( 2.051 2.591 3.090) 4.524 7.938 ( 2.141 -1.823 2.866) 4.015 7.938 ( 2.141 1.823 2.866) 4.015 8.177 ( -5.174 -5.033 -3.867) 8.188 8.177 ( -5.174 5.033 -3.867) 8.188 8.299 ( 1.892 -3.132 -1.364) 3.905 8.299 ( 1.892 3.132 -1.364) 3.905 8.565 ( 0.415 -3.276 3.785) 5.023 8.565 ( 0.415 3.276 3.785) 5.023 8.884 ( 4.997 -5.214 -5.096) 8.839 8.884 ( 4.997 5.214 -5.096) 8.839 9.070 ( -1.316 -9.419 3.352) 10.084 9.070 ( -1.316 9.419 3.352) 10.084 9.150 ( -3.859 -3.877 -0.003) 5.470 9.150 ( -3.859 3.877 -0.003) 5.470 9.339 ( 1.935 -3.282 -0.901) 3.915 9.339 ( 1.935 3.282 -0.901) 3.915 9.599 ( 0.541 -2.614 -1.688) 3.158 9.599 ( 0.541 2.614 -1.688) 3.158 9.751 ( -3.739 -3.414 0.175) 5.066 9.751 ( -3.739 3.414 0.175) 5.066 9.889 ( -1.749 -1.594 4.601) 5.174 9.889 ( -1.749 1.594 4.601) 5.174 10.176 ( -0.351 -8.344 -1.826) 8.549 10.176 ( -0.351 8.344 -1.826) 8.549 10.384 ( -1.851 -8.062 -4.009) 9.193 10.384 ( -1.851 8.062 -4.009) 9.193 10.590 ( 3.085 -14.523 2.747) 15.099 10.590 ( 3.085 14.523 2.747) 15.099 10.724 ( 2.754 -4.549 -4.800) 7.164 10.724 ( 2.754 4.549 -4.800) 7.164 10.882 ( -4.459 -0.122 0.003) 4.460 10.882 ( -4.459 0.122 0.003) 4.460 11.164 ( -0.362 -4.216 1.399) 4.457 11.164 ( -0.362 4.216 1.399) 4.457 11.426 ( 0.863 -8.127 1.452) 8.300 11.426 ( 0.863 8.127 1.452) 8.300 11.700 ( -3.112 -8.123 0.642) 8.722 11.700 ( -3.112 8.123 0.642) 8.722 11.859 ( -0.940 -5.439 3.665) 6.625 11.859 ( -0.940 5.439 3.665) 6.625 12.098 ( -0.478 -7.759 -2.006) 8.029 12.098 ( -0.478 7.759 -2.006) 8.029 12.250 ( -5.505 -8.024 -0.706) 9.756 12.250 ( -5.505 8.024 -0.706) 9.756 12.485 ( 0.272 -5.411 0.070) 5.418 12.485 ( 0.272 5.411 0.070) 5.418 12.736 ( 4.503 -3.101 0.514) 5.491 12.736 ( 4.503 3.101 0.514) 5.491 12.931 ( 1.208 -0.926 -1.454) 2.105 12.931 ( 1.208 0.926 -1.454) 2.105 13.182 ( -2.468 -2.990 4.270) 5.768 13.182 ( -2.468 2.990 4.270) 5.768 13.385 ( 3.028 -4.176 -4.445) 6.809 13.385 ( 3.028 4.176 -4.445) 6.809 13.451 ( -0.007 -4.828 2.160) 5.289 13.451 ( -0.007 4.828 2.160) 5.289 13.791 ( 0.472 -1.772 -1.593) 2.429 13.791 ( 0.472 1.772 -1.593) 2.429 13.930 ( 1.819 -1.783 1.066) 2.762 13.930 ( 1.819 1.783 1.066) 2.762 14.376 ( 2.610 -2.131 -0.707) 3.443 14.376 ( 2.610 2.131 -0.707) 3.443 14.791 ( -2.810 -5.680 0.431) 6.351 14.791 ( -2.810 5.680 0.431) 6.351 15.119 ( 0.113 -3.436 0.004) 3.438 15.119 ( 0.113 3.436 0.004) 3.438 15.207 ( 0.526 -1.816 -1.914) 2.691 15.207 ( 0.526 1.816 -1.914) 2.691 15.408 ( 1.435 -2.976 1.443) 3.605 15.408 ( 1.435 2.976 1.443) 3.605 15.761 ( -3.197 -4.411 1.089) 5.555 15.761 ( -3.197 4.411 1.089) 5.555 16.009 ( 3.373 -1.072 2.345) 4.245 16.009 ( 3.373 1.072 2.345) 4.245 16.269 ( -1.416 -4.171 -2.218) 4.931 16.269 ( -1.416 4.171 -2.218) 4.931 16.550 ( 1.721 -3.312 -1.904) 4.190 16.550 ( 1.721 3.312 -1.904) 4.190 16.650 ( 2.281 -2.845 1.143) 3.822 16.650 ( 2.281 2.845 1.143) 3.822 16.875 ( -3.632 -6.960 0.667) 7.879 16.875 ( -3.632 6.960 0.667) 7.879 17.069 ( -0.077 -2.764 -3.404) 4.386 17.069 ( -0.077 2.764 -3.404) 4.386 17.361 ( 1.994 -5.052 -1.659) 5.679 17.361 ( 1.994 5.052 -1.659) 5.679 17.469 ( -1.438 -5.560 3.412) 6.680 17.469 ( -1.438 5.560 3.412) 6.680 19.391 ( -1.214 -2.987 1.384) 3.509 19.391 ( -1.214 2.987 1.384) 3.509 19.867 ( -0.380 -1.245 -2.362) 2.696 19.867 ( -0.380 1.245 -2.362) 2.696 21.294 ( 0.364 -1.424 -1.753) 2.288 21.294 ( 0.364 1.424 -1.753) 2.288 21.408 ( -1.131 -1.584 0.837) 2.119 21.408 ( -1.131 1.584 0.837) 2.119 22.346 ( -0.486 -9.504 0.438) 9.527 22.346 ( -0.486 9.504 0.438) 9.527 22.510 ( -3.242 -10.492 -0.480) 10.992 22.510 ( -3.242 10.492 -0.480) 10.992 24.613 ( 1.697 -1.068 -0.165) 2.012 24.613 ( 1.697 1.068 -0.165) 2.012 24.822 ( 2.020 -3.649 -0.098) 4.172 24.822 ( 2.020 3.649 -0.098) 4.172 25.181 ( -1.856 -4.198 0.292) 4.599 25.181 ( -1.856 4.198 0.292) 4.599 25.479 ( -1.305 -2.232 0.446) 2.624 25.479 ( -1.305 2.232 0.446) 2.624 26.737 ( -0.818 -1.298 3.340) 3.676 26.737 ( -0.818 1.298 3.340) 3.676 27.043 ( -1.679 -0.334 -0.687) 1.844 27.043 ( -1.679 0.334 -0.687) 1.844 27.859 ( -1.109 -2.611 4.047) 4.942 27.859 ( -1.109 2.611 4.047) 4.942 28.075 ( -2.136 -3.841 -4.912) 6.591 28.075 ( -2.136 3.841 -4.912) 6.591 28.497 ( -2.911 -1.791 -1.126) 3.598 28.497 ( -2.911 1.791 -1.126) 3.598 28.969 ( -0.606 -4.470 -0.182) 4.515 28.969 ( -0.606 4.470 -0.182) 4.515 30.037 ( 6.489 -2.775 1.395) 7.194 30.037 ( 6.489 2.775 1.395) 7.194 30.266 ( 3.033 -2.003 -0.357) 3.653 30.266 ( 3.033 2.003 -0.357) 3.653 30.927 ( 4.024 -6.406 -0.067) 7.565 30.927 ( 4.024 6.406 -0.067) 7.565 31.535 ( 3.260 -3.400 0.873) 4.791 31.535 ( 3.260 3.400 0.873) 4.791 32.061 ( 1.301 -4.245 0.391) 4.457 32.061 ( 1.301 4.245 0.391) 4.457 32.258 ( -2.314 -2.409 -2.153) 3.974 32.258 ( -2.314 2.409 -2.153) 3.974 32.613 ( -3.077 -2.985 -1.989) 4.726 32.613 ( -3.077 2.985 -1.989) 4.726 32.796 ( 1.171 -1.735 1.753) 2.731 32.796 ( 1.171 1.735 1.753) 2.731 99.267 ( 0.161 -0.865 -0.537) 1.031 99.267 ( 0.161 0.865 -0.537) 1.031 99.376 ( -0.574 -0.691 0.727) 1.156 99.376 ( -0.574 0.691 0.727) 1.156 102.255 ( -0.339 -0.413 -0.241) 0.586 102.255 ( -0.339 0.413 -0.241) 0.586 102.496 ( -0.939 -0.927 0.667) 1.478 102.496 ( -0.939 0.927 0.667) 1.478 107.357 ( 0.037 -0.366 -0.463) 0.591 107.357 ( 0.037 0.366 -0.463) 0.591 107.442 ( 0.387 -0.560 0.322) 0.753 107.442 ( 0.387 0.560 0.322) 0.753 109.321 ( 0.164 -0.223 -0.207) 0.346 109.321 ( 0.164 0.223 -0.207) 0.346 109.399 ( 0.244 -1.334 0.131) 1.362 109.399 ( 0.244 1.334 0.131) 1.362 ======================= Grid point 32 (18/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.000 -5.692 0.000) 5.692 3.157 ( 0.000 5.692 0.000) 5.692 3.340 ( 0.000 -9.576 0.000) 9.576 3.340 ( 0.000 9.576 0.000) 9.576 3.572 ( 0.000 -14.179 0.000) 14.179 3.572 ( 0.000 14.179 0.000) 14.179 4.075 ( 0.000 -2.555 0.000) 2.555 4.075 ( 0.000 2.555 -0.000) 2.555 4.368 ( 0.000 -3.589 -0.000) 3.589 4.368 ( 0.000 3.589 -0.000) 3.589 4.462 ( -0.000 -5.131 0.000) 5.131 4.462 ( 0.000 5.131 -0.000) 5.131 4.607 ( 0.000 -7.621 0.000) 7.621 4.607 ( 0.000 7.621 0.000) 7.621 4.816 ( 0.000 -5.386 0.000) 5.386 4.816 ( 0.000 5.386 -0.000) 5.386 5.094 ( 0.000 -15.938 0.000) 15.938 5.094 ( -0.000 15.938 -0.000) 15.938 5.248 ( 0.000 -3.502 0.000) 3.502 5.248 ( -0.000 3.502 -0.000) 3.502 5.425 ( 0.000 -7.242 -0.000) 7.242 5.425 ( 0.000 7.242 -0.000) 7.242 5.713 ( 0.000 -3.799 0.000) 3.799 5.713 ( 0.000 3.799 0.000) 3.799 6.013 ( 0.000 -0.095 0.000) 0.095 6.013 ( 0.000 0.095 0.000) 0.095 6.131 ( 0.000 -5.527 -0.000) 5.527 6.131 ( 0.000 5.527 -0.000) 5.527 6.292 ( 0.000 -9.385 0.000) 9.385 6.292 ( 0.000 9.385 0.000) 9.385 6.390 ( 0.000 -4.740 0.000) 4.740 6.390 ( -0.000 4.740 0.000) 4.740 6.507 ( 0.000 -2.693 0.000) 2.693 6.507 ( 0.000 2.693 0.000) 2.693 6.657 ( 0.000 -3.754 -0.000) 3.754 6.657 ( 0.000 3.754 0.000) 3.754 6.845 ( 0.000 -2.741 -0.000) 2.741 6.845 ( 0.000 2.741 0.000) 2.741 7.254 ( 0.000 -5.061 0.000) 5.061 7.254 ( 0.000 5.061 0.000) 5.061 7.356 ( -0.000 -5.209 0.000) 5.209 7.356 ( -0.000 5.209 0.000) 5.209 7.584 ( -0.000 -2.801 0.000) 2.801 7.584 ( 0.000 2.801 0.000) 2.801 7.916 ( 0.000 -0.755 0.000) 0.755 7.916 ( 0.000 0.755 0.000) 0.755 8.017 ( -0.000 -4.579 0.000) 4.579 8.017 ( 0.000 4.579 0.000) 4.579 8.057 ( 0.000 -4.731 -0.000) 4.731 8.057 ( -0.000 4.731 -0.000) 4.731 8.323 ( 0.000 -0.920 0.000) 0.920 8.323 ( 0.000 0.920 0.000) 0.920 8.585 ( 0.000 -0.934 0.000) 0.934 8.585 ( 0.000 0.934 0.000) 0.934 8.940 ( -0.000 -4.275 0.000) 4.275 8.940 ( 0.000 4.275 -0.000) 4.275 9.062 ( 0.000 -4.958 0.000) 4.958 9.062 ( 0.000 4.958 0.000) 4.958 9.102 ( -0.000 -9.491 -0.000) 9.491 9.102 ( -0.000 9.491 0.000) 9.491 9.358 ( 0.000 -3.026 -0.000) 3.026 9.358 ( 0.000 3.026 -0.000) 3.026 9.597 ( -0.000 -1.508 0.000) 1.508 9.597 ( 0.000 1.508 0.000) 1.508 9.681 ( 0.000 -4.414 0.000) 4.414 9.681 ( -0.000 4.414 0.000) 4.414 9.921 ( -0.000 -2.250 0.000) 2.250 9.921 ( 0.000 2.250 0.000) 2.250 10.160 ( 0.000 -8.575 0.000) 8.575 10.160 ( 0.000 8.575 0.000) 8.575 10.342 ( 0.000 -8.973 0.000) 8.973 10.342 ( 0.000 8.973 0.000) 8.973 10.634 ( 0.000 -17.548 0.000) 17.548 10.634 ( 0.000 17.548 0.000) 17.548 10.761 ( 0.000 -5.569 0.000) 5.569 10.761 ( -0.000 5.569 0.000) 5.569 10.809 ( 0.000 -2.564 -0.000) 2.564 10.809 ( -0.000 2.564 0.000) 2.564 11.168 ( 0.000 -5.359 0.000) 5.359 11.168 ( 0.000 5.359 0.000) 5.359 11.430 ( 0.000 -4.095 0.000) 4.095 11.430 ( 0.000 4.095 0.000) 4.095 11.679 ( 0.000 -8.351 0.000) 8.351 11.679 ( 0.000 8.351 0.000) 8.351 11.867 ( -0.000 -1.401 0.000) 1.401 11.867 ( -0.000 1.401 -0.000) 1.401 12.103 ( 0.000 -9.040 0.000) 9.040 12.103 ( 0.000 9.040 0.000) 9.040 12.169 ( 0.000 -8.820 0.000) 8.820 12.169 ( 0.000 8.820 0.000) 8.820 12.493 ( 0.000 -6.652 0.000) 6.652 12.493 ( 0.000 6.652 0.000) 6.652 12.785 ( 0.000 -2.569 0.000) 2.569 12.785 ( 0.000 2.569 0.000) 2.569 12.940 ( 0.000 -0.465 0.000) 0.465 12.940 ( 0.000 0.465 0.000) 0.465 13.173 ( 0.000 -2.531 0.000) 2.531 13.173 ( 0.000 2.531 0.000) 2.531 13.387 ( 0.000 -7.483 0.000) 7.483 13.387 ( 0.000 7.483 0.000) 7.483 13.468 ( 0.000 -6.988 -0.000) 6.988 13.468 ( 0.000 6.988 -0.000) 6.988 13.779 ( 0.000 -3.999 0.000) 3.999 13.779 ( 0.000 3.999 0.000) 3.999 13.957 ( 0.000 -1.149 0.000) 1.149 13.957 ( 0.000 1.149 0.000) 1.149 14.419 ( 0.000 -5.017 0.000) 5.017 14.419 ( 0.000 5.017 0.000) 5.017 14.754 ( 0.000 -2.228 0.000) 2.228 14.754 ( 0.000 2.228 0.000) 2.228 15.116 ( -0.000 -1.126 0.000) 1.126 15.116 ( 0.000 1.126 0.000) 1.126 15.201 ( 0.000 -3.215 0.000) 3.215 15.201 ( 0.000 3.215 0.000) 3.215 15.433 ( 0.000 -2.368 0.000) 2.368 15.433 ( 0.000 2.368 0.000) 2.368 15.732 ( 0.000 -5.338 -0.000) 5.338 15.732 ( 0.000 5.338 0.000) 5.338 16.060 ( 0.000 -1.042 0.000) 1.042 16.060 ( 0.000 1.042 0.000) 1.042 16.239 ( 0.000 -3.655 0.000) 3.655 16.239 ( 0.000 3.655 0.000) 3.655 16.561 ( 0.000 -3.718 0.000) 3.718 16.561 ( 0.000 3.718 0.000) 3.718 16.687 ( 0.000 -1.033 0.000) 1.033 16.687 ( 0.000 1.033 0.000) 1.033 16.823 ( 0.000 -5.698 0.000) 5.698 16.823 ( 0.000 5.698 -0.000) 5.698 17.057 ( 0.000 -2.392 -0.000) 2.392 17.057 ( 0.000 2.392 0.000) 2.392 17.378 ( 0.000 -4.281 -0.000) 4.281 17.378 ( -0.000 4.281 0.000) 4.281 17.469 ( 0.000 -8.324 0.000) 8.324 17.469 ( 0.000 8.324 0.000) 8.324 19.387 ( 0.000 -3.538 0.000) 3.538 19.387 ( 0.000 3.538 0.000) 3.538 19.852 ( 0.000 -0.670 0.000) 0.670 19.852 ( 0.000 0.670 0.000) 0.670 21.292 ( 0.000 -0.239 0.000) 0.239 21.292 ( 0.000 0.239 0.000) 0.239 21.399 ( -0.000 -1.467 0.000) 1.467 21.399 ( 0.000 1.467 0.000) 1.467 22.347 ( 0.000 -12.341 0.000) 12.341 22.347 ( -0.000 12.341 0.000) 12.341 22.473 ( 0.000 -13.205 0.000) 13.205 22.473 ( 0.000 13.205 0.000) 13.205 24.628 ( 0.000 -1.185 0.000) 1.185 24.628 ( 0.000 1.185 0.000) 1.185 24.842 ( 0.000 -3.884 0.000) 3.884 24.842 ( 0.000 3.884 0.000) 3.884 25.165 ( 0.000 -3.809 0.000) 3.809 25.165 ( 0.000 3.809 0.000) 3.809 25.467 ( 0.000 -1.891 0.000) 1.891 25.467 ( 0.000 1.891 0.000) 1.891 26.744 ( 0.000 -1.277 0.000) 1.277 26.744 ( 0.000 1.277 0.000) 1.277 27.024 ( 0.000 -0.616 -0.000) 0.616 27.024 ( 0.000 0.616 0.000) 0.616 27.869 ( 0.000 -3.564 0.000) 3.564 27.869 ( 0.000 3.564 -0.000) 3.564 28.029 ( 0.000 -3.428 0.000) 3.428 28.029 ( 0.000 3.428 0.000) 3.428 28.463 ( 0.000 -0.208 0.000) 0.208 28.463 ( 0.000 0.208 0.000) 0.208 28.963 ( 0.000 -4.055 0.000) 4.055 28.963 ( 0.000 4.055 0.000) 4.055 30.106 ( 0.000 -0.061 0.000) 0.061 30.106 ( 0.000 0.061 0.000) 0.061 30.291 ( 0.000 -1.988 0.000) 1.988 30.291 ( 0.000 1.988 0.000) 1.988 30.968 ( 0.000 -6.334 -0.000) 6.334 30.968 ( 0.000 6.334 0.000) 6.334 31.570 ( 0.000 -2.846 0.000) 2.846 31.570 ( 0.000 2.846 0.000) 2.846 32.075 ( 0.000 -4.096 0.000) 4.096 32.075 ( 0.000 4.096 0.000) 4.096 32.227 ( 0.000 -2.886 0.000) 2.886 32.227 ( 0.000 2.886 0.000) 2.886 32.573 ( 0.000 -4.248 0.000) 4.248 32.573 ( 0.000 4.248 0.000) 4.248 32.817 ( 0.000 -0.766 0.000) 0.766 32.817 ( 0.000 0.766 0.000) 0.766 99.266 ( 0.000 -0.713 0.000) 0.713 99.266 ( 0.000 0.713 0.000) 0.713 99.374 ( 0.000 -0.589 0.000) 0.589 99.374 ( 0.000 0.589 0.000) 0.589 102.251 ( 0.000 -0.031 0.000) 0.031 102.251 ( 0.000 0.031 0.000) 0.031 102.490 ( 0.000 -0.253 0.000) 0.253 102.490 ( 0.000 0.253 0.000) 0.253 107.356 ( 0.000 -0.202 0.000) 0.202 107.356 ( 0.000 0.202 0.000) 0.202 107.447 ( 0.000 -0.407 0.000) 0.407 107.447 ( 0.000 0.407 0.000) 0.407 109.322 ( 0.000 -0.225 0.000) 0.225 109.322 ( 0.000 0.225 0.000) 0.225 109.402 ( 0.000 -1.305 0.000) 1.305 109.402 ( 0.000 1.305 0.000) 1.305 ======================= Grid point 55 (19/78) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.723 0.000 37.745) 37.752 0.846 ( -15.114 0.000 39.720) 42.499 1.453 ( -16.898 0.000 66.983) 69.081 2.573 ( 6.124 0.000 2.271) 6.531 3.071 ( 11.126 0.000 -19.057) 22.067 3.248 ( -3.832 0.000 -2.148) 4.393 3.322 ( -6.837 0.000 -24.684) 25.613 3.952 ( 9.501 0.000 6.562) 11.547 4.000 ( 10.034 0.000 0.574) 10.050 4.128 ( -6.454 0.000 1.259) 6.576 4.332 ( -3.402 0.000 -16.468) 16.815 4.378 ( 1.481 0.000 -3.286) 3.604 4.471 ( 2.930 0.000 -15.205) 15.485 4.626 ( -2.918 0.000 12.057) 12.405 4.796 ( 6.106 0.000 3.436) 7.007 4.874 ( 1.488 0.000 -6.635) 6.800 5.022 ( 2.363 0.000 1.333) 2.713 5.164 ( -1.081 0.000 0.897) 1.405 5.310 ( 1.523 0.000 -2.762) 3.154 5.356 ( 4.618 0.000 -9.088) 10.194 5.548 ( -2.024 0.000 2.400) 3.140 5.585 ( -14.419 0.000 6.664) 15.885 5.645 ( -3.097 0.000 -10.305) 10.760 5.679 ( 1.920 0.000 1.261) 2.297 5.841 ( 3.350 0.000 -7.868) 8.552 5.935 ( 0.029 0.000 -0.556) 0.557 5.978 ( 4.162 0.000 -4.373) 6.036 6.027 ( 2.174 0.000 4.643) 5.127 6.247 ( -3.674 0.000 3.460) 5.047 6.322 ( -5.538 0.000 1.412) 5.715 6.344 ( 3.847 0.000 0.269) 3.857 6.566 ( -0.151 0.000 3.715) 3.718 6.600 ( 7.504 0.000 -7.774) 10.805 6.751 ( -6.974 0.000 6.613) 9.611 6.786 ( -3.629 0.000 -1.972) 4.130 6.946 ( 6.039 0.000 -1.044) 6.129 7.272 ( -0.873 0.000 1.136) 1.432 7.285 ( 5.144 0.000 2.956) 5.933 7.320 ( -3.272 0.000 -2.590) 4.173 7.404 ( -11.714 0.000 4.204) 12.445 7.476 ( 5.795 0.000 -0.989) 5.878 7.487 ( 1.142 0.000 -5.753) 5.865 7.522 ( 1.256 0.000 1.199) 1.736 7.712 ( -0.101 0.000 6.816) 6.816 7.757 ( -2.347 0.000 -4.841) 5.380 7.934 ( 1.241 0.000 2.622) 2.901 8.059 ( -8.961 0.000 -4.490) 10.023 8.069 ( -5.330 0.000 15.973) 16.839 8.198 ( 3.049 0.000 4.044) 5.065 8.304 ( -6.999 0.000 -5.945) 9.183 8.454 ( -6.025 0.000 0.897) 6.092 8.526 ( -1.062 0.000 2.476) 2.694 8.584 ( 3.289 0.000 8.686) 9.288 8.608 ( 1.984 0.000 4.576) 4.987 8.851 ( -3.459 0.000 -1.667) 3.840 8.928 ( 0.727 0.000 2.169) 2.287 8.976 ( 2.551 0.000 2.675) 3.696 9.111 ( 0.987 0.000 2.127) 2.345 9.161 ( -2.649 0.000 -6.409) 6.935 9.230 ( 3.736 0.000 -0.630) 3.789 9.344 ( -3.459 0.000 -4.417) 5.610 9.506 ( -1.704 0.000 7.339) 7.534 9.553 ( -5.357 0.000 -3.822) 6.580 9.669 ( 1.393 0.000 -6.501) 6.648 9.717 ( 15.391 0.000 -3.549) 15.795 9.844 ( 0.348 0.000 -10.391) 10.397 10.017 ( 5.104 0.000 2.083) 5.513 10.061 ( 7.390 0.000 3.059) 7.999 10.174 ( 0.532 0.000 5.632) 5.657 10.234 ( -2.668 0.000 4.210) 4.984 10.316 ( 3.258 0.000 1.339) 3.522 10.394 ( 3.799 0.000 9.322) 10.066 10.459 ( 0.265 0.000 -3.157) 3.168 10.515 ( -1.379 0.000 -1.348) 1.929 10.731 ( 0.724 0.000 -5.870) 5.915 10.774 ( -5.165 0.000 -0.143) 5.167 10.923 ( 8.310 0.000 3.123) 8.878 10.953 ( 4.078 0.000 -6.733) 7.872 11.051 ( -9.193 0.000 5.229) 10.576 11.095 ( 7.322 0.000 0.995) 7.390 11.453 ( 1.792 0.000 0.486) 1.857 11.500 ( -4.477 0.000 8.365) 9.488 11.518 ( 3.253 0.000 -5.389) 6.295 11.675 ( 1.751 0.000 0.671) 1.875 11.862 ( -0.228 0.000 -2.792) 2.801 11.898 ( 6.253 0.000 1.129) 6.354 12.030 ( -7.059 0.000 3.888) 8.059 12.136 ( 1.897 0.000 2.066) 2.805 12.294 ( -9.879 0.000 -1.701) 10.025 12.350 ( -1.428 0.000 -10.636) 10.732 12.527 ( 5.336 0.000 -2.179) 5.764 12.602 ( 5.606 0.000 -1.295) 5.754 12.831 ( -0.434 0.000 1.102) 1.185 12.941 ( -2.446 0.000 -0.183) 2.453 13.000 ( 0.269 0.000 -1.555) 1.578 13.014 ( 5.561 0.000 -3.193) 6.413 13.055 ( -0.344 0.000 5.942) 5.952 13.139 ( 2.727 0.000 2.060) 3.418 13.266 ( -5.746 0.000 -3.694) 6.831 13.308 ( -3.673 0.000 -1.743) 4.066 13.420 ( -4.845 0.000 2.519) 5.460 13.442 ( 3.258 0.000 0.705) 3.334 13.610 ( -3.367 0.000 1.321) 3.617 13.816 ( -8.034 0.000 7.213) 10.797 13.842 ( -3.316 0.000 3.613) 4.904 13.975 ( 0.456 0.000 -1.368) 1.443 14.066 ( 4.436 0.000 -5.337) 6.940 14.271 ( -0.962 0.000 -4.702) 4.800 14.643 ( 2.435 0.000 -3.575) 4.326 14.909 ( 5.202 0.000 -8.806) 10.228 15.044 ( 4.886 0.000 0.199) 4.890 15.077 ( -1.258 0.000 3.451) 3.673 15.175 ( 0.297 0.000 5.389) 5.397 15.347 ( 1.233 0.000 3.981) 4.167 15.441 ( 19.109 0.000 -0.806) 19.126 15.729 ( 1.190 0.000 -7.549) 7.643 15.795 ( 1.511 0.000 0.474) 1.583 15.836 ( -2.582 0.000 -1.236) 2.863 15.846 ( 7.699 0.000 -4.166) 8.754 15.955 ( 18.123 0.000 0.463) 18.129 16.173 ( 1.847 0.000 2.183) 2.860 16.231 ( 2.658 0.000 -0.558) 2.716 16.269 ( 3.677 0.000 -1.855) 4.118 16.293 ( -5.896 0.000 -2.192) 6.290 16.513 ( -8.726 0.000 8.424) 12.129 16.698 ( -1.828 0.000 3.228) 3.710 16.849 ( -10.842 0.000 0.208) 10.844 16.926 ( 0.309 0.000 -1.900) 1.925 17.179 ( -0.021 0.000 2.880) 2.880 17.202 ( 1.010 0.000 6.960) 7.033 17.376 ( 0.503 0.000 1.112) 1.220 17.383 ( -3.849 0.000 -1.935) 4.308 17.625 ( -20.594 0.000 0.326) 20.596 17.963 ( 0.050 0.000 -4.913) 4.913 19.563 ( 0.895 0.000 0.322) 0.951 19.591 ( 0.039 0.000 0.075) 0.084 19.729 ( -13.649 0.000 0.850) 13.676 20.152 ( 1.743 0.000 -9.621) 9.778 21.193 ( 9.361 0.000 -0.382) 9.369 21.314 ( -1.365 0.000 -2.271) 2.650 21.367 ( 0.883 0.000 2.411) 2.568 21.507 ( -1.838 0.000 -1.364) 2.288 21.984 ( 1.544 0.000 3.952) 4.243 22.305 ( -1.407 0.000 -3.042) 3.352 22.870 ( -0.196 0.000 2.292) 2.301 23.067 ( -1.872 0.000 -1.567) 2.442 24.287 ( -0.166 0.000 1.454) 1.463 24.437 ( 0.043 0.000 0.469) 0.471 24.483 ( 0.664 0.000 -0.405) 0.778 24.500 ( -1.405 0.000 -3.644) 3.906 25.135 ( -1.649 0.000 2.446) 2.950 25.262 ( 1.155 0.000 -0.361) 1.210 26.070 ( -5.991 0.000 0.248) 5.996 26.072 ( 0.211 0.000 0.274) 0.346 26.806 ( -0.233 0.000 6.068) 6.072 27.130 ( -2.248 0.000 -2.154) 3.114 27.308 ( -1.215 0.000 0.879) 1.499 27.343 ( -8.702 0.000 0.389) 8.711 27.755 ( -12.892 0.000 3.550) 13.372 28.044 ( -0.225 0.000 1.298) 1.318 28.050 ( 0.040 0.000 1.948) 1.949 28.186 ( 2.153 0.000 -5.470) 5.879 28.858 ( -4.028 0.000 2.850) 4.934 28.939 ( -1.639 0.000 1.205) 2.034 29.019 ( 6.656 0.000 -2.160) 6.997 29.127 ( -11.679 0.000 -2.864) 12.025 29.297 ( 38.830 0.000 -3.149) 38.958 29.374 ( -7.920 0.000 -0.241) 7.923 29.502 ( 42.489 0.000 4.682) 42.746 29.515 ( 3.626 0.000 1.345) 3.868 30.689 ( -0.335 0.000 -2.258) 2.283 30.734 ( -1.684 0.000 -3.298) 3.703 31.111 ( 7.170 0.000 4.060) 8.239 31.324 ( -61.107 0.000 -1.441) 61.124 31.694 ( -2.574 0.000 1.597) 3.029 31.709 ( 1.201 0.000 0.315) 1.242 32.288 ( 1.082 0.000 0.454) 1.173 32.487 ( 1.644 0.000 -4.332) 4.634 32.586 ( 1.283 0.000 1.286) 1.817 32.666 ( -0.706 0.000 -0.355) 0.790 33.042 ( -1.437 0.000 0.150) 1.445 33.111 ( 0.244 0.000 -1.297) 1.319 99.213 ( -0.452 0.000 0.486) 0.663 99.294 ( 0.423 0.000 -1.878) 1.925 99.420 ( 0.438 0.000 2.120) 2.165 99.520 ( -7.474 0.000 -0.598) 7.498 102.239 ( -0.573 0.000 1.521) 1.626 102.384 ( -0.503 0.000 -1.898) 1.964 102.690 ( 1.320 0.000 0.443) 1.392 102.697 ( -18.808 0.000 0.424) 18.813 107.317 ( 0.487 0.000 0.378) 0.616 107.340 ( -0.426 0.000 -0.182) 0.464 107.350 ( 1.108 0.000 0.738) 1.331 107.453 ( -0.504 0.000 -1.513) 1.595 109.311 ( 0.181 0.000 -0.028) 0.183 109.314 ( 0.072 0.000 -0.284) 0.293 109.336 ( -0.680 0.000 0.676) 0.959 109.370 ( 4.116 0.000 -0.270) 4.124 ======================= Grid point 56 (20/78) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 17.255 0.000 28.178) 33.042 1.377 ( 20.079 0.000 33.505) 39.061 2.033 ( 24.930 0.000 41.031) 48.011 2.798 ( 17.354 0.000 -12.055) 21.130 3.098 ( 3.316 0.000 -4.230) 5.375 3.165 ( 6.567 0.000 -1.605) 6.760 3.249 ( 12.841 0.000 -12.441) 17.879 3.904 ( -17.662 0.000 -4.184) 18.150 3.951 ( -10.713 0.000 -3.313) 11.214 4.151 ( 1.655 0.000 8.848) 9.002 4.251 ( 3.710 0.000 -10.506) 11.142 4.324 ( 0.467 0.000 -8.586) 8.598 4.346 ( -2.696 0.000 2.026) 3.372 4.725 ( -0.939 0.000 -0.707) 1.175 4.819 ( 5.421 0.000 -7.426) 9.194 4.883 ( -0.173 0.000 5.670) 5.673 5.065 ( 1.631 0.000 -3.267) 3.651 5.166 ( 0.295 0.000 -1.234) 1.268 5.339 ( 1.618 0.000 3.843) 4.170 5.371 ( -2.260 0.000 0.071) 2.261 5.410 ( -2.964 0.000 -9.847) 10.283 5.511 ( 7.456 0.000 -16.953) 18.520 5.623 ( 8.575 0.000 -3.437) 9.238 5.642 ( 1.818 0.000 -7.606) 7.820 5.963 ( 3.418 0.000 -6.845) 7.651 5.975 ( -0.815 0.000 5.576) 5.635 6.010 ( 2.708 0.000 1.248) 2.982 6.069 ( -3.149 0.000 2.401) 3.960 6.257 ( -1.654 0.000 1.130) 2.003 6.280 ( 0.272 0.000 6.450) 6.456 6.429 ( 8.014 0.000 -6.377) 10.242 6.640 ( 0.182 0.000 6.287) 6.289 6.652 ( 1.795 0.000 -1.122) 2.116 6.714 ( -0.769 0.000 10.371) 10.399 6.768 ( 4.529 0.000 -2.446) 5.147 7.040 ( 4.202 0.000 -1.517) 4.468 7.130 ( -10.857 0.000 6.469) 12.638 7.188 ( -7.142 0.000 -4.262) 8.317 7.315 ( 0.206 0.000 -1.198) 1.216 7.403 ( 3.660 0.000 -0.470) 3.690 7.407 ( -2.495 0.000 -8.827) 9.173 7.505 ( -4.394 0.000 -0.792) 4.465 7.612 ( 3.068 0.000 7.487) 8.092 7.702 ( 1.287 0.000 -3.067) 3.326 7.843 ( 8.308 0.000 0.856) 8.352 7.911 ( -3.123 0.000 8.690) 9.234 8.028 ( -9.651 0.000 4.896) 10.822 8.079 ( 4.170 0.000 0.121) 4.171 8.158 ( -4.962 0.000 5.483) 7.395 8.246 ( -0.856 0.000 4.665) 4.743 8.327 ( -6.363 0.000 0.726) 6.405 8.556 ( 0.655 0.000 5.401) 5.440 8.575 ( -5.198 0.000 -2.826) 5.916 8.643 ( -6.806 0.000 8.873) 11.183 8.779 ( -3.785 0.000 3.733) 5.316 8.914 ( -2.645 0.000 1.692) 3.140 9.047 ( -0.653 0.000 3.333) 3.396 9.063 ( -0.193 0.000 -5.297) 5.300 9.101 ( 0.807 0.000 1.133) 1.391 9.321 ( 4.805 0.000 -3.338) 5.851 9.331 ( 3.945 0.000 1.761) 4.320 9.415 ( -5.863 0.000 -6.588) 8.819 9.491 ( -3.970 0.000 4.905) 6.310 9.675 ( -2.699 0.000 -0.680) 2.783 9.738 ( 6.679 0.000 -1.737) 6.901 9.835 ( -2.141 0.000 -9.893) 10.122 10.076 ( -8.414 0.000 -4.273) 9.437 10.086 ( 1.904 0.000 3.151) 3.681 10.195 ( 4.902 0.000 -2.756) 5.624 10.271 ( -3.456 0.000 -1.670) 3.838 10.370 ( 6.995 0.000 4.016) 8.066 10.384 ( -6.578 0.000 4.920) 8.214 10.477 ( -3.200 0.000 3.722) 4.908 10.518 ( 0.267 0.000 1.363) 1.389 10.657 ( -4.437 0.000 -3.497) 5.650 10.754 ( 5.005 0.000 -5.901) 7.738 10.842 ( -1.996 0.000 0.396) 2.035 10.960 ( 2.135 0.000 -4.361) 4.856 11.144 ( 3.811 0.000 0.384) 3.830 11.245 ( 2.378 0.000 1.575) 2.852 11.451 ( -7.919 0.000 5.272) 9.513 11.454 ( 2.643 0.000 -5.075) 5.722 11.531 ( 0.351 0.000 0.474) 0.590 11.683 ( 4.330 0.000 -3.052) 5.298 11.859 ( -0.243 0.000 1.824) 1.840 11.986 ( 1.864 0.000 -0.756) 2.012 12.115 ( 11.380 0.000 0.267) 11.383 12.181 ( -2.360 0.000 2.818) 3.676 12.232 ( 3.979 0.000 3.526) 5.317 12.260 ( -1.501 0.000 -5.199) 5.412 12.613 ( 3.915 0.000 -4.140) 5.697 12.628 ( 0.816 0.000 -5.813) 5.870 12.844 ( -0.536 0.000 5.466) 5.492 12.929 ( 1.220 0.000 -0.894) 1.512 12.977 ( -3.994 0.000 -2.974) 4.979 12.996 ( -7.473 0.000 5.448) 9.248 13.015 ( -0.590 0.000 -5.087) 5.121 13.165 ( -1.696 0.000 -2.357) 2.904 13.238 ( 1.119 0.000 -4.982) 5.106 13.250 ( -1.053 0.000 0.605) 1.214 13.374 ( 4.202 0.000 4.025) 5.819 13.522 ( 3.725 0.000 2.678) 4.588 13.540 ( -4.671 0.000 1.471) 4.898 13.779 ( -3.811 0.000 3.392) 5.102 13.811 ( 1.770 0.000 5.311) 5.599 14.088 ( 6.092 0.000 2.546) 6.603 14.160 ( 7.071 0.000 -3.233) 7.775 14.215 ( -0.742 0.000 -5.052) 5.107 14.470 ( -11.069 0.000 -2.131) 11.272 14.916 ( 2.734 0.000 -6.719) 7.253 15.035 ( -3.333 0.000 -0.509) 3.372 15.123 ( 2.104 0.000 1.926) 2.852 15.236 ( 0.197 0.000 7.388) 7.390 15.357 ( -3.270 0.000 0.645) 3.334 15.597 ( 2.756 0.000 -0.406) 2.786 15.689 ( 1.230 0.000 -8.605) 8.693 15.782 ( 3.223 0.000 -1.550) 3.577 15.882 ( -11.653 0.000 3.274) 12.104 15.890 ( 1.827 0.000 5.084) 5.402 15.974 ( 1.419 0.000 0.532) 1.516 16.159 ( -3.044 0.000 2.345) 3.843 16.189 ( -2.787 0.000 0.334) 2.807 16.380 ( 11.405 0.000 -10.448) 15.467 16.380 ( 6.427 0.000 -1.774) 6.667 16.449 ( -3.128 0.000 5.463) 6.295 16.659 ( -0.258 0.000 -1.495) 1.517 16.769 ( -1.401 0.000 1.672) 2.181 16.895 ( -1.559 0.000 -3.142) 3.507 17.179 ( -2.890 0.000 3.365) 4.435 17.264 ( -3.969 0.000 2.355) 4.615 17.282 ( 0.840 0.000 1.681) 1.879 17.398 ( 0.219 0.000 3.103) 3.110 17.564 ( 3.291 0.000 3.590) 4.871 17.860 ( -5.301 0.000 -6.129) 8.103 19.544 ( -6.111 0.000 1.754) 6.358 19.562 ( -2.542 0.000 -0.306) 2.560 19.615 ( 2.149 0.000 3.234) 3.883 20.116 ( 1.727 0.000 -8.220) 8.399 21.251 ( -1.794 0.000 -3.844) 4.242 21.339 ( 5.547 0.000 -3.382) 6.497 21.428 ( 2.513 0.000 2.990) 3.906 21.446 ( -2.659 0.000 -2.446) 3.613 22.054 ( 1.225 0.000 5.539) 5.673 22.211 ( -4.654 0.000 -4.751) 6.651 22.864 ( -2.608 0.000 2.917) 3.913 23.003 ( -3.386 0.000 -2.755) 4.365 24.340 ( 3.985 0.000 1.651) 4.314 24.454 ( 2.424 0.000 -0.313) 2.444 24.520 ( 3.165 0.000 -0.555) 3.213 24.557 ( 7.558 0.000 -4.187) 8.640 25.111 ( -2.611 0.000 1.828) 3.188 25.280 ( 0.971 0.000 -0.045) 0.972 25.896 ( -11.998 0.000 5.220) 13.084 26.009 ( -6.604 0.000 1.098) 6.695 26.836 ( -2.397 0.000 6.797) 7.207 26.962 ( -9.598 0.000 4.976) 10.812 27.200 ( -4.689 0.000 5.308) 7.083 27.261 ( -3.967 0.000 0.068) 3.967 27.762 ( 1.217 0.000 3.643) 3.841 28.036 ( -1.222 0.000 1.462) 1.906 28.081 ( 0.713 0.000 1.009) 1.235 28.229 ( 5.897 0.000 -4.596) 7.476 28.717 ( -9.612 0.000 -0.820) 9.647 28.828 ( -6.485 0.000 -0.988) 6.560 29.038 ( -2.735 0.000 1.973) 3.372 29.218 ( -4.744 0.000 -4.988) 6.883 29.300 ( 18.590 0.000 1.428) 18.645 29.434 ( 5.923 0.000 0.790) 5.975 29.644 ( 8.492 0.000 2.409) 8.827 30.227 ( 9.515 0.000 -14.720) 17.527 30.607 ( -8.431 0.000 3.991) 9.328 30.736 ( 4.438 0.000 -3.091) 5.409 31.048 ( 27.579 0.000 -13.122) 30.541 31.309 ( 6.622 0.000 10.114) 12.089 31.686 ( -0.146 0.000 0.500) 0.520 31.761 ( 3.216 0.000 1.555) 3.572 32.323 ( 1.779 0.000 0.826) 1.961 32.446 ( -1.349 0.000 -4.568) 4.763 32.626 ( 1.713 0.000 0.637) 1.828 32.643 ( -0.906 0.000 -1.179) 1.487 32.978 ( -5.332 0.000 0.604) 5.366 33.056 ( -4.462 0.000 -0.838) 4.540 99.213 ( 0.057 0.000 0.387) 0.391 99.288 ( 0.492 0.000 -1.582) 1.656 99.411 ( -3.998 0.000 2.278) 4.601 99.441 ( -0.438 0.000 2.649) 2.685 102.243 ( -0.480 0.000 1.705) 1.771 102.329 ( -3.072 0.000 -0.290) 3.086 102.508 ( -4.729 0.000 5.499) 7.253 102.705 ( -0.965 0.000 1.621) 1.887 107.332 ( -0.028 0.000 -0.455) 0.455 107.339 ( 1.206 0.000 0.698) 1.394 107.394 ( 2.147 0.000 0.023) 2.147 107.422 ( -0.965 0.000 -1.907) 2.138 109.312 ( -0.050 0.000 -0.394) 0.397 109.317 ( 0.410 0.000 -0.008) 0.410 109.332 ( -0.092 0.000 0.367) 0.378 109.415 ( 1.477 0.000 -1.309) 1.974 ======================= Grid point 57 (21/78) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 28.399 0.000 18.588) 33.942 2.031 ( 20.388 0.000 29.720) 36.041 2.861 ( 34.986 0.000 4.995) 35.341 2.968 ( 16.849 0.000 -22.821) 28.367 3.221 ( 9.607 0.000 6.292) 11.484 3.511 ( 22.254 0.000 -6.105) 23.076 3.516 ( 1.864 0.000 0.479) 1.924 3.554 ( 7.708 0.000 5.899) 9.706 3.713 ( -7.845 0.000 -4.212) 8.904 4.060 ( -6.064 0.000 -9.527) 11.293 4.201 ( -6.144 0.000 15.316) 16.502 4.368 ( 0.867 0.000 -2.769) 2.901 4.387 ( 3.129 0.000 7.413) 8.047 4.579 ( -4.109 0.000 -11.257) 11.984 4.863 ( -5.079 0.000 -0.581) 5.112 4.952 ( 4.968 0.000 2.150) 5.414 5.060 ( 0.427 0.000 -4.541) 4.561 5.140 ( -1.422 0.000 -0.256) 1.445 5.235 ( -6.256 0.000 0.478) 6.274 5.399 ( 5.353 0.000 -5.140) 7.421 5.402 ( 1.581 0.000 2.756) 3.177 5.525 ( 16.806 0.000 -34.718) 38.571 5.711 ( 4.249 0.000 3.862) 5.742 5.723 ( 5.053 0.000 -9.484) 10.746 5.900 ( -5.878 0.000 -6.082) 8.458 5.954 ( -8.484 0.000 1.607) 8.635 5.977 ( 0.991 0.000 -2.279) 2.485 6.034 ( -0.135 0.000 9.462) 9.463 6.261 ( -1.651 0.000 4.320) 4.625 6.286 ( -0.849 0.000 3.842) 3.934 6.590 ( 5.872 0.000 1.772) 6.134 6.676 ( -0.484 0.000 2.501) 2.547 6.685 ( 3.068 0.000 -2.646) 4.051 6.789 ( -2.722 0.000 5.382) 6.031 6.870 ( 3.856 0.000 0.805) 3.939 7.014 ( -5.442 0.000 -0.290) 5.449 7.021 ( -4.204 0.000 2.786) 5.044 7.133 ( 3.362 0.000 4.841) 5.894 7.276 ( -2.797 0.000 -8.031) 8.504 7.293 ( 0.934 0.000 -7.184) 7.245 7.388 ( -4.643 0.000 -0.538) 4.674 7.397 ( -6.785 0.000 4.371) 8.071 7.687 ( -3.079 0.000 -1.685) 3.510 7.715 ( 2.851 0.000 3.648) 4.630 7.834 ( -11.666 0.000 2.866) 12.013 7.942 ( -3.621 0.000 9.554) 10.218 7.974 ( 5.860 0.000 -6.710) 8.909 8.142 ( 1.571 0.000 1.195) 1.974 8.180 ( 0.978 0.000 5.467) 5.554 8.253 ( -1.004 0.000 -0.232) 1.031 8.266 ( -2.689 0.000 5.377) 6.012 8.437 ( -5.885 0.000 -0.037) 5.885 8.517 ( -9.889 0.000 11.401) 15.092 8.604 ( 0.415 0.000 -0.019) 0.416 8.790 ( 0.314 0.000 6.741) 6.749 8.836 ( -3.085 0.000 -2.290) 3.842 9.003 ( -5.196 0.000 3.981) 6.546 9.152 ( 8.795 0.000 1.053) 8.858 9.169 ( 3.092 0.000 0.381) 3.115 9.245 ( -2.488 0.000 -9.968) 10.274 9.386 ( -0.502 0.000 2.532) 2.581 9.406 ( 3.887 0.000 -1.987) 4.365 9.482 ( 0.826 0.000 4.233) 4.313 9.525 ( -11.942 0.000 -5.216) 13.032 9.749 ( 1.846 0.000 -1.560) 2.417 9.810 ( 0.797 0.000 -1.445) 1.650 9.894 ( -6.044 0.000 -0.196) 6.047 10.076 ( -7.053 0.000 2.492) 7.480 10.214 ( 2.615 0.000 -4.913) 5.566 10.256 ( 4.501 0.000 -7.893) 9.086 10.350 ( -1.033 0.000 4.989) 5.095 10.406 ( -6.764 0.000 4.020) 7.868 10.463 ( -0.413 0.000 -5.582) 5.597 10.500 ( 0.734 0.000 -1.820) 1.963 10.582 ( -0.521 0.000 2.191) 2.252 10.777 ( 2.432 0.000 -1.089) 2.665 10.924 ( 6.435 0.000 -1.732) 6.665 10.949 ( -0.723 0.000 -3.761) 3.830 11.173 ( -0.172 0.000 0.148) 0.227 11.200 ( -4.643 0.000 -0.567) 4.677 11.387 ( -0.177 0.000 1.130) 1.144 11.454 ( 2.254 0.000 -6.000) 6.410 11.560 ( 0.521 0.000 4.737) 4.765 11.743 ( 2.961 0.000 -2.558) 3.913 11.863 ( -1.814 0.000 3.323) 3.785 12.024 ( -1.326 0.000 -0.438) 1.397 12.145 ( -2.650 0.000 2.278) 3.494 12.266 ( 6.169 0.000 1.261) 6.297 12.278 ( -3.867 0.000 3.407) 5.154 12.372 ( 12.764 0.000 0.476) 12.773 12.561 ( -2.909 0.000 -5.932) 6.607 12.625 ( 4.089 0.000 -3.058) 5.105 12.795 ( -6.979 0.000 1.079) 7.062 12.841 ( -6.491 0.000 -3.821) 7.532 12.888 ( -4.366 0.000 -8.238) 9.323 12.939 ( 0.111 0.000 3.222) 3.224 12.991 ( 1.322 0.000 4.460) 4.652 13.131 ( -1.347 0.000 -3.890) 4.117 13.219 ( 0.330 0.000 -3.082) 3.099 13.316 ( 7.226 0.000 -0.843) 7.275 13.464 ( -3.288 0.000 1.551) 3.635 13.484 ( 3.100 0.000 3.335) 4.553 13.683 ( 5.898 0.000 9.608) 11.273 13.719 ( -5.383 0.000 -2.343) 5.871 13.943 ( 7.597 0.000 2.959) 8.153 14.053 ( -8.090 0.000 5.249) 9.643 14.158 ( -1.040 0.000 -3.601) 3.749 14.266 ( 3.317 0.000 -1.888) 3.817 14.439 ( 8.292 0.000 1.847) 8.495 14.915 ( 3.086 0.000 -6.067) 6.807 14.982 ( -0.652 0.000 -1.667) 1.790 15.131 ( -2.781 0.000 -0.299) 2.797 15.295 ( -0.628 0.000 7.732) 7.758 15.296 ( -0.801 0.000 -1.441) 1.649 15.559 ( -6.211 0.000 -1.726) 6.446 15.635 ( 0.975 0.000 -8.162) 8.220 15.688 ( -8.724 0.000 8.308) 12.046 15.833 ( 0.319 0.000 0.043) 0.322 15.970 ( 1.539 0.000 6.523) 6.702 16.103 ( 2.126 0.000 -0.187) 2.134 16.135 ( -2.517 0.000 5.543) 6.088 16.156 ( 4.925 0.000 -2.066) 5.341 16.384 ( -2.703 0.000 2.687) 3.812 16.484 ( 7.177 0.000 -3.932) 8.183 16.549 ( 9.574 0.000 -7.266) 12.019 16.653 ( 1.757 0.000 -3.250) 3.695 16.742 ( -1.245 0.000 -2.084) 2.427 16.815 ( -2.849 0.000 -3.616) 4.603 17.120 ( -5.627 0.000 1.801) 5.909 17.216 ( -2.797 0.000 -0.743) 2.894 17.261 ( -4.087 0.000 2.460) 4.770 17.434 ( -0.521 0.000 5.608) 5.632 17.681 ( 5.603 0.000 1.306) 5.753 17.707 ( -4.755 0.000 -4.216) 6.354 19.457 ( -4.712 0.000 1.257) 4.876 19.511 ( -2.215 0.000 0.057) 2.216 19.713 ( 4.202 0.000 4.418) 6.097 20.053 ( -2.101 0.000 -6.699) 7.021 21.210 ( 1.088 0.000 -3.316) 3.490 21.371 ( -2.955 0.000 -2.034) 3.588 21.383 ( 2.242 0.000 -2.334) 3.236 21.497 ( 1.921 0.000 3.141) 3.682 22.062 ( -6.273 0.000 -4.775) 7.884 22.114 ( 0.170 0.000 5.146) 5.149 22.826 ( -3.803 0.000 3.002) 4.845 22.902 ( -4.261 0.000 -2.652) 5.019 24.445 ( 5.147 0.000 1.360) 5.324 24.517 ( 4.164 0.000 -0.455) 4.189 24.576 ( 2.984 0.000 -0.740) 3.074 24.674 ( 7.899 0.000 -3.944) 8.829 25.077 ( -2.080 0.000 1.332) 2.470 25.299 ( 1.031 0.000 -0.019) 1.031 25.715 ( -10.953 0.000 3.417) 11.473 25.868 ( -8.941 0.000 1.890) 9.139 26.831 ( -3.437 0.000 5.686) 6.644 26.879 ( -3.973 0.000 3.143) 5.066 27.161 ( -3.958 0.000 4.254) 5.810 27.168 ( -5.002 0.000 -0.987) 5.099 27.828 ( 1.494 0.000 6.304) 6.478 28.024 ( -1.880 0.000 2.491) 3.121 28.055 ( -3.111 0.000 -1.787) 3.588 28.285 ( 2.609 0.000 -6.236) 6.760 28.516 ( -7.307 0.000 -2.764) 7.813 28.717 ( -4.954 0.000 -0.036) 4.954 28.982 ( -5.487 0.000 3.500) 6.508 29.118 ( -1.497 0.000 -5.304) 5.511 29.601 ( 10.473 0.000 0.577) 10.489 29.680 ( 17.804 0.000 3.273) 18.102 29.877 ( 13.534 0.000 0.888) 13.563 30.167 ( -1.285 0.000 -6.383) 6.512 30.576 ( 1.629 0.000 1.148) 1.993 30.833 ( 7.416 0.000 -2.373) 7.786 31.414 ( 21.368 0.000 -16.696) 27.117 31.505 ( 2.954 0.000 12.959) 13.291 31.700 ( 1.904 0.000 0.290) 1.926 31.847 ( 3.557 0.000 2.546) 4.374 32.353 ( 0.145 0.000 0.220) 0.263 32.377 ( -1.889 0.000 -3.662) 4.121 32.624 ( 0.691 0.000 -1.108) 1.306 32.658 ( 1.119 0.000 0.484) 1.219 32.857 ( -7.424 0.000 0.353) 7.432 32.955 ( -5.116 0.000 0.208) 5.121 99.222 ( 0.468 0.000 0.361) 0.591 99.286 ( 0.480 0.000 -1.162) 1.257 99.376 ( -1.635 0.000 1.151) 2.000 99.445 ( -1.446 0.000 2.365) 2.772 102.250 ( -0.321 0.000 1.808) 1.836 102.287 ( -1.365 0.000 0.032) 1.365 102.495 ( -1.285 0.000 2.839) 3.116 102.673 ( -3.700 0.000 1.317) 3.928 107.332 ( 0.379 0.000 -0.369) 0.529 107.371 ( 1.448 0.000 0.593) 1.565 107.391 ( -0.745 0.000 -1.440) 1.621 107.427 ( 1.263 0.000 0.255) 1.288 109.308 ( 0.078 0.000 -0.367) 0.375 109.325 ( 0.476 0.000 -0.088) 0.484 109.338 ( 0.367 0.000 0.246) 0.442 109.423 ( 0.575 0.000 -0.844) 1.021 ======================= Grid point 58 (22/78) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 29.369 0.000 12.573) 31.948 2.644 ( 20.510 0.000 21.763) 29.905 2.974 ( 1.840 0.000 -10.917) 11.071 3.351 ( 12.634 0.000 7.331) 14.606 3.428 ( 6.645 0.000 -1.429) 6.797 3.524 ( 17.921 0.000 -16.775) 24.547 3.670 ( 17.204 0.000 -18.264) 25.090 3.846 ( -2.238 0.000 0.434) 2.279 3.966 ( 17.932 0.000 -0.617) 17.943 4.039 ( 11.163 0.000 -6.273) 12.805 4.246 ( -0.937 0.000 13.418) 13.450 4.300 ( -4.272 0.000 -2.453) 4.926 4.529 ( 9.531 0.000 0.283) 9.535 4.577 ( 8.067 0.000 14.445) 16.545 4.714 ( -8.991 0.000 0.610) 9.012 4.951 ( -6.494 0.000 5.208) 8.324 4.971 ( -1.666 0.000 -6.942) 7.139 5.157 ( 1.232 0.000 2.047) 2.389 5.183 ( -1.688 0.000 1.477) 2.243 5.362 ( -2.698 0.000 -3.047) 4.070 5.515 ( 9.099 0.000 -3.127) 9.621 5.597 ( -1.912 0.000 -5.363) 5.694 5.700 ( 0.865 0.000 -5.777) 5.841 5.728 ( -5.371 0.000 -3.361) 6.336 5.771 ( -12.751 0.000 7.733) 14.913 5.834 ( 16.609 0.000 -7.906) 18.394 5.965 ( -1.765 0.000 0.150) 1.771 6.206 ( 8.668 0.000 -3.039) 9.186 6.277 ( 3.590 0.000 4.452) 5.719 6.325 ( 0.905 0.000 -2.398) 2.563 6.559 ( -7.223 0.000 -0.151) 7.224 6.584 ( -7.439 0.000 -5.017) 8.973 6.634 ( -8.257 0.000 5.041) 9.674 6.833 ( 7.015 0.000 -1.938) 7.277 6.846 ( -8.075 0.000 1.904) 8.297 6.972 ( 1.826 0.000 -3.257) 3.734 7.006 ( -0.962 0.000 4.294) 4.400 7.134 ( -7.596 0.000 -4.540) 8.849 7.170 ( -5.610 0.000 -0.176) 5.613 7.267 ( 0.430 0.000 -3.095) 3.125 7.365 ( 4.519 0.000 2.685) 5.256 7.388 ( -1.281 0.000 10.958) 11.032 7.530 ( -7.959 0.000 -4.785) 9.287 7.580 ( -9.591 0.000 -7.193) 11.989 7.783 ( 1.209 0.000 1.145) 1.665 7.880 ( -10.656 0.000 10.270) 14.800 8.034 ( 5.048 0.000 -3.543) 6.167 8.165 ( -1.755 0.000 1.744) 2.474 8.205 ( -2.611 0.000 3.207) 4.135 8.236 ( 2.577 0.000 -4.296) 5.009 8.243 ( -0.839 0.000 -5.063) 5.133 8.436 ( 0.811 0.000 9.596) 9.630 8.458 ( -4.359 0.000 2.176) 4.872 8.648 ( 4.298 0.000 4.117) 5.951 8.834 ( 3.481 0.000 0.552) 3.525 8.869 ( -0.721 0.000 9.405) 9.432 8.924 ( -6.686 0.000 4.894) 8.286 9.132 ( -4.946 0.000 -13.103) 14.006 9.204 ( -6.903 0.000 -1.826) 7.141 9.216 ( 2.573 0.000 -1.734) 3.103 9.320 ( 5.581 0.000 1.730) 5.843 9.377 ( -1.438 0.000 2.838) 3.181 9.522 ( 5.209 0.000 0.612) 5.245 9.587 ( 3.808 0.000 5.567) 6.745 9.712 ( -7.608 0.000 -4.621) 8.901 9.755 ( -1.144 0.000 -0.571) 1.279 9.882 ( -0.145 0.000 6.456) 6.458 9.972 ( -5.303 0.000 1.589) 5.536 10.142 ( -3.165 0.000 -5.017) 5.932 10.221 ( -0.153 0.000 -6.852) 6.854 10.330 ( -1.801 0.000 -1.437) 2.304 10.383 ( 2.842 0.000 -1.873) 3.404 10.438 ( 0.523 0.000 0.241) 0.576 10.573 ( -2.836 0.000 0.958) 2.994 10.581 ( 9.676 0.000 -4.377) 10.620 10.796 ( 0.274 0.000 -2.402) 2.417 10.892 ( -0.626 0.000 -2.539) 2.615 11.028 ( 5.036 0.000 0.986) 5.132 11.130 ( -2.480 0.000 -0.117) 2.482 11.158 ( -0.490 0.000 -1.033) 1.143 11.404 ( -0.992 0.000 2.091) 2.315 11.464 ( 2.354 0.000 -1.329) 2.703 11.623 ( 1.395 0.000 4.998) 5.189 11.772 ( -2.309 0.000 -5.930) 6.364 11.814 ( -1.311 0.000 6.015) 6.156 11.992 ( 0.829 0.000 -0.555) 0.998 12.061 ( -6.863 0.000 -3.875) 7.881 12.134 ( -11.725 0.000 2.808) 12.056 12.386 ( 1.115 0.000 1.733) 2.061 12.458 ( -2.963 0.000 -3.467) 4.561 12.590 ( 1.885 0.000 7.002) 7.252 12.699 ( 0.634 0.000 -10.515) 10.534 12.725 ( 1.089 0.000 2.326) 2.569 12.737 ( 7.185 0.000 0.244) 7.189 12.779 ( -0.161 0.000 -2.873) 2.877 12.985 ( 0.150 0.000 3.265) 3.269 13.042 ( 1.950 0.000 0.235) 1.964 13.045 ( -1.985 0.000 -9.262) 9.472 13.181 ( -0.048 0.000 -5.450) 5.450 13.314 ( -4.313 0.000 1.076) 4.445 13.506 ( -1.295 0.000 1.866) 2.271 13.585 ( 2.826 0.000 4.992) 5.737 13.596 ( 3.146 0.000 -4.645) 5.610 13.839 ( 2.168 0.000 7.866) 8.159 14.053 ( 0.152 0.000 9.556) 9.557 14.070 ( 0.980 0.000 1.314) 1.639 14.188 ( 8.119 0.000 1.461) 8.249 14.278 ( 0.863 0.000 -3.263) 3.375 14.605 ( 3.661 0.000 4.886) 6.105 14.904 ( 0.051 0.000 -10.079) 10.079 14.987 ( 2.385 0.000 -1.514) 2.825 15.068 ( -1.426 0.000 3.234) 3.534 15.287 ( 0.605 0.000 -2.677) 2.744 15.331 ( -2.994 0.000 5.597) 6.348 15.440 ( -2.278 0.000 -0.431) 2.318 15.581 ( -1.488 0.000 -4.908) 5.128 15.617 ( -5.415 0.000 4.705) 7.173 15.810 ( 1.055 0.000 -4.206) 4.336 16.048 ( 0.994 0.000 5.452) 5.542 16.061 ( -2.842 0.000 0.047) 2.843 16.158 ( -1.896 0.000 8.884) 9.084 16.299 ( 9.005 0.000 -4.174) 9.925 16.356 ( -2.559 0.000 1.513) 2.973 16.569 ( 0.924 0.000 -10.408) 10.448 16.576 ( 3.212 0.000 -1.857) 3.710 16.692 ( 4.484 0.000 0.397) 4.501 16.709 ( 1.328 0.000 -4.057) 4.269 16.814 ( 4.970 0.000 -2.636) 5.626 17.014 ( -4.505 0.000 -0.599) 4.545 17.110 ( -7.087 0.000 -0.971) 7.153 17.212 ( -3.432 0.000 2.826) 4.446 17.463 ( -1.704 0.000 6.047) 6.283 17.625 ( -2.438 0.000 -0.318) 2.459 17.775 ( 3.758 0.000 -0.639) 3.812 19.381 ( -4.145 0.000 1.082) 4.284 19.489 ( -0.680 0.000 1.216) 1.394 19.831 ( 3.662 0.000 4.774) 6.017 19.935 ( -3.828 0.000 -6.095) 7.197 21.229 ( 2.516 0.000 -2.344) 3.439 21.314 ( -1.713 0.000 0.517) 1.789 21.396 ( 1.030 0.000 -1.732) 2.016 21.547 ( 0.902 0.000 2.020) 2.213 21.910 ( -5.760 0.000 -2.975) 6.483 22.142 ( -0.930 0.000 3.079) 3.216 22.775 ( -3.783 0.000 2.633) 4.609 22.812 ( -2.989 0.000 -1.679) 3.429 24.542 ( 3.641 0.000 1.019) 3.781 24.596 ( 4.088 0.000 -0.011) 4.088 24.621 ( 2.371 0.000 -0.437) 2.411 24.783 ( 6.526 0.000 -3.627) 7.467 25.061 ( -0.671 0.000 1.184) 1.361 25.321 ( 1.047 0.000 0.723) 1.272 25.536 ( -9.094 0.000 0.278) 9.099 25.713 ( -8.549 0.000 1.727) 8.721 26.798 ( -3.535 0.000 1.923) 4.024 26.835 ( -2.292 0.000 -0.007) 2.292 27.072 ( -3.845 0.000 -0.376) 3.863 27.119 ( -3.730 0.000 3.583) 5.172 27.901 ( -2.649 0.000 5.738) 6.320 27.977 ( 0.130 0.000 -0.949) 0.958 28.007 ( -1.939 0.000 2.114) 2.868 28.175 ( -4.872 0.000 -7.699) 9.111 28.472 ( 1.757 0.000 -0.100) 1.760 28.626 ( -5.431 0.000 1.699) 5.690 28.898 ( -5.797 0.000 2.898) 6.482 29.059 ( -0.451 0.000 -4.610) 4.632 29.816 ( 10.397 0.000 1.438) 10.496 30.003 ( 12.440 0.000 3.276) 12.864 30.105 ( 0.340 0.000 -6.504) 6.513 30.128 ( 11.970 0.000 -1.466) 12.059 30.659 ( 4.981 0.000 1.866) 5.319 30.955 ( 7.212 0.000 -3.049) 7.830 31.575 ( 7.317 0.000 -8.584) 11.279 31.620 ( -1.587 0.000 10.893) 11.008 31.804 ( 9.546 0.000 -1.396) 9.647 31.929 ( 2.481 0.000 3.034) 3.919 32.310 ( -3.980 0.000 -0.804) 4.060 32.320 ( -1.330 0.000 -2.354) 2.703 32.665 ( -3.036 0.000 1.579) 3.422 32.672 ( 4.024 0.000 0.925) 4.128 32.719 ( -4.700 0.000 -1.004) 4.806 32.881 ( -2.794 0.000 0.181) 2.800 99.236 ( 0.588 0.000 0.469) 0.752 99.287 ( 0.462 0.000 -0.727) 0.861 99.359 ( -0.949 0.000 0.475) 1.061 99.427 ( -1.902 0.000 1.324) 2.317 102.261 ( -0.113 0.000 1.824) 1.827 102.270 ( -0.676 0.000 0.203) 0.706 102.494 ( -0.844 0.000 1.312) 1.560 102.594 ( -4.616 0.000 -0.232) 4.622 107.340 ( 0.560 0.000 -0.072) 0.565 107.372 ( -0.332 0.000 -0.532) 0.628 107.401 ( 1.272 0.000 0.204) 1.288 107.447 ( 0.566 0.000 0.163) 0.589 109.310 ( 0.326 0.000 -0.132) 0.351 109.332 ( 0.379 0.000 -0.148) 0.406 109.348 ( 0.387 0.000 0.331) 0.509 109.426 ( 0.428 0.000 -0.685) 0.808 ======================= Grid point 59 (23/78) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 10.079 0.000 -4.975) 11.240 3.136 ( 13.149 0.000 13.641) 18.947 3.239 ( 21.826 0.000 9.068) 23.635 3.422 ( -2.639 0.000 5.235) 5.862 3.636 ( 2.360 0.000 -1.344) 2.716 3.649 ( 8.667 0.000 1.343) 8.771 3.847 ( 11.290 0.000 -14.092) 18.057 3.923 ( 11.129 0.000 -14.117) 17.976 3.982 ( 1.735 0.000 -10.941) 11.078 4.145 ( 3.258 0.000 3.341) 4.667 4.240 ( 0.998 0.000 -4.922) 5.022 4.282 ( 3.082 0.000 -9.207) 9.709 4.579 ( -5.022 0.000 3.074) 5.888 4.807 ( 1.509 0.000 3.165) 3.507 4.813 ( 0.742 0.000 4.892) 4.948 4.928 ( 7.092 0.000 5.054) 8.709 5.010 ( 9.214 0.000 0.167) 9.216 5.121 ( -10.540 0.000 5.006) 11.669 5.209 ( 4.046 0.000 2.696) 4.862 5.313 ( -0.799 0.000 0.803) 1.133 5.485 ( -4.322 0.000 0.664) 4.372 5.593 ( -2.882 0.000 0.560) 2.936 5.637 ( -1.418 0.000 1.240) 1.884 5.642 ( -7.477 0.000 10.595) 12.968 5.728 ( 5.818 0.000 0.737) 5.865 5.939 ( -1.537 0.000 2.425) 2.871 5.984 ( -1.733 0.000 1.449) 2.259 6.203 ( -6.990 0.000 -6.318) 9.422 6.293 ( 7.215 0.000 -7.269) 10.241 6.401 ( -0.125 0.000 -12.319) 12.319 6.416 ( -12.011 0.000 7.583) 14.204 6.477 ( -6.401 0.000 4.559) 7.858 6.515 ( 9.590 0.000 -3.090) 10.075 6.758 ( 5.504 0.000 -8.376) 10.022 6.896 ( -2.517 0.000 0.605) 2.589 6.960 ( -7.056 0.000 3.230) 7.760 7.002 ( 0.968 0.000 -3.134) 3.281 7.057 ( -0.285 0.000 -5.929) 5.936 7.095 ( 10.174 0.000 0.997) 10.223 7.153 ( -9.772 0.000 2.230) 10.023 7.352 ( -2.355 0.000 -3.720) 4.403 7.456 ( 0.884 0.000 5.764) 5.832 7.477 ( 4.917 0.000 -10.058) 11.196 7.496 ( -1.519 0.000 7.891) 8.036 7.733 ( -13.188 0.000 7.429) 15.136 7.822 ( 3.067 0.000 -3.671) 4.783 8.039 ( -9.288 0.000 -2.019) 9.505 8.072 ( 1.509 0.000 -3.322) 3.648 8.142 ( -3.338 0.000 -5.423) 6.368 8.224 ( 2.460 0.000 4.043) 4.733 8.266 ( 2.338 0.000 -0.260) 2.353 8.451 ( 3.448 0.000 -2.550) 4.289 8.532 ( 1.669 0.000 5.588) 5.832 8.749 ( 1.033 0.000 -3.839) 3.976 8.772 ( -11.069 0.000 1.801) 11.215 8.914 ( -4.224 0.000 -2.680) 5.002 8.938 ( -3.622 0.000 12.809) 13.312 8.952 ( 6.644 0.000 1.920) 6.916 9.141 ( -1.642 0.000 -1.079) 1.964 9.225 ( 0.823 0.000 -4.201) 4.281 9.406 ( 3.553 0.000 -0.961) 3.680 9.410 ( 1.442 0.000 5.609) 5.791 9.508 ( -6.627 0.000 -3.496) 7.492 9.645 ( 3.338 0.000 6.778) 7.556 9.689 ( 0.229 0.000 5.985) 5.989 9.708 ( -3.206 0.000 -0.392) 3.230 9.884 ( -3.295 0.000 1.974) 3.841 9.885 ( -4.348 0.000 1.089) 4.482 10.124 ( 3.271 0.000 -1.849) 3.758 10.186 ( 2.583 0.000 -4.986) 5.616 10.319 ( 2.153 0.000 -3.664) 4.250 10.414 ( -2.672 0.000 0.863) 2.808 10.468 ( 6.588 0.000 -0.284) 6.594 10.526 ( -3.603 0.000 4.293) 5.605 10.719 ( 6.560 0.000 -6.096) 8.955 10.769 ( 2.572 0.000 -5.059) 5.676 10.903 ( 2.408 0.000 -0.546) 2.469 11.100 ( -0.613 0.000 0.327) 0.695 11.116 ( 2.740 0.000 -3.342) 4.321 11.158 ( 1.702 0.000 2.069) 2.679 11.360 ( -6.032 0.000 3.154) 6.807 11.507 ( 0.587 0.000 1.843) 1.935 11.626 ( -4.361 0.000 -3.051) 5.323 11.680 ( 0.596 0.000 1.301) 1.431 11.829 ( -9.979 0.000 -3.473) 10.566 11.897 ( 2.287 0.000 3.253) 3.977 11.950 ( -9.825 0.000 4.801) 10.935 12.027 ( 3.253 0.000 -1.500) 3.582 12.345 ( -3.016 0.000 -2.122) 3.688 12.404 ( -1.171 0.000 0.094) 1.174 12.489 ( -6.082 0.000 -2.622) 6.623 12.776 ( 5.639 0.000 -0.947) 5.718 12.783 ( 0.566 0.000 -0.386) 0.684 12.803 ( 2.783 0.000 -3.933) 4.818 12.874 ( 4.069 0.000 -0.489) 4.098 12.929 ( 0.922 0.000 -9.898) 9.941 12.991 ( 3.308 0.000 1.002) 3.457 13.074 ( 0.061 0.000 -0.929) 0.931 13.154 ( 0.227 0.000 -1.325) 1.344 13.259 ( -2.771 0.000 1.140) 2.996 13.518 ( 3.525 0.000 2.964) 4.605 13.650 ( 1.442 0.000 2.181) 2.615 13.657 ( 1.068 0.000 0.786) 1.326 13.880 ( -2.307 0.000 1.486) 2.744 14.077 ( -1.367 0.000 2.109) 2.513 14.155 ( 0.968 0.000 8.076) 8.133 14.261 ( 0.947 0.000 -2.511) 2.683 14.402 ( 10.144 0.000 2.032) 10.345 14.647 ( -3.453 0.000 6.473) 7.336 14.757 ( -5.095 0.000 -4.407) 6.736 15.034 ( 3.364 0.000 -1.236) 3.584 15.100 ( -0.023 0.000 -3.292) 3.292 15.277 ( -3.575 0.000 1.210) 3.774 15.316 ( 3.988 0.000 5.165) 6.526 15.453 ( 0.249 0.000 1.249) 1.274 15.504 ( -2.794 0.000 -2.000) 3.436 15.568 ( -2.894 0.000 3.332) 4.413 15.823 ( 4.542 0.000 -7.371) 8.658 16.017 ( -1.542 0.000 -0.120) 1.546 16.084 ( -0.615 0.000 0.904) 1.094 16.187 ( -3.148 0.000 8.077) 8.669 16.305 ( -3.415 0.000 0.978) 3.552 16.413 ( 6.092 0.000 -3.972) 7.272 16.543 ( 4.201 0.000 -3.739) 5.624 16.585 ( 2.151 0.000 -3.848) 4.408 16.723 ( 0.583 0.000 1.456) 1.568 16.811 ( 7.238 0.000 -2.116) 7.541 16.817 ( -2.666 0.000 -1.676) 3.149 16.956 ( -8.114 0.000 0.450) 8.126 17.011 ( 4.687 0.000 -2.302) 5.222 17.172 ( -2.978 0.000 2.351) 3.795 17.472 ( -1.195 0.000 2.709) 2.961 17.577 ( -3.709 0.000 1.930) 4.181 17.818 ( 2.039 0.000 -1.804) 2.723 19.321 ( -2.756 0.000 0.809) 2.873 19.490 ( -0.684 0.000 0.491) 0.842 19.841 ( -0.774 0.000 -3.194) 3.286 19.915 ( 1.039 0.000 3.541) 3.690 21.239 ( 0.671 0.000 -1.268) 1.435 21.331 ( 1.001 0.000 2.894) 3.062 21.398 ( 0.662 0.000 -1.579) 1.712 21.562 ( -0.333 0.000 0.119) 0.354 21.810 ( -2.902 0.000 -0.013) 2.902 22.130 ( -1.711 0.000 0.071) 1.713 22.731 ( -2.765 0.000 2.084) 3.462 22.764 ( -1.031 0.000 -0.506) 1.149 24.598 ( 1.306 0.000 1.195) 1.770 24.662 ( 2.046 0.000 0.005) 2.046 24.663 ( 2.553 0.000 0.187) 2.560 24.854 ( 4.072 0.000 -3.882) 5.625 25.068 ( 0.164 0.000 1.431) 1.440 25.341 ( -2.843 0.000 3.205) 4.285 25.395 ( -1.806 0.000 -3.379) 3.832 25.581 ( -6.093 0.000 0.779) 6.143 26.731 ( -2.678 0.000 -2.859) 3.917 26.786 ( -1.513 0.000 -3.010) 3.369 27.027 ( -1.620 0.000 2.023) 2.592 27.081 ( -2.855 0.000 2.641) 3.889 27.819 ( -3.970 0.000 -1.687) 4.314 27.953 ( -2.668 0.000 -5.205) 5.849 28.059 ( 2.024 0.000 6.720) 7.018 28.095 ( -0.221 0.000 2.791) 2.800 28.516 ( 2.186 0.000 0.711) 2.298 28.546 ( -4.687 0.000 3.511) 5.857 28.819 ( -4.019 0.000 1.095) 4.166 29.022 ( 0.464 0.000 -4.150) 4.176 30.007 ( 7.538 0.000 2.683) 8.001 30.067 ( 0.345 0.000 -4.468) 4.481 30.192 ( 5.867 0.000 -0.796) 5.921 30.288 ( 5.719 0.000 -1.087) 5.821 30.765 ( 3.649 0.000 1.788) 4.064 31.043 ( 5.297 0.000 -4.787) 7.140 31.613 ( 2.956 0.000 -3.357) 4.473 31.631 ( -4.688 0.000 6.575) 8.075 31.988 ( 0.927 0.000 2.711) 2.865 31.992 ( 9.952 0.000 -0.813) 9.985 32.230 ( -3.132 0.000 0.423) 3.160 32.290 ( -0.274 0.000 -1.024) 1.060 32.545 ( -7.039 0.000 1.091) 7.123 32.704 ( 0.532 0.000 0.253) 0.589 32.755 ( 2.769 0.000 1.176) 3.008 32.837 ( -1.614 0.000 -1.638) 2.300 99.250 ( 0.412 0.000 0.709) 0.820 99.292 ( 0.485 0.000 -0.302) 0.571 99.347 ( -0.568 0.000 0.043) 0.570 99.399 ( -1.573 0.000 0.153) 1.581 102.264 ( -0.250 0.000 0.613) 0.662 102.274 ( -0.227 0.000 1.715) 1.730 102.484 ( -0.790 0.000 0.003) 0.790 102.511 ( -2.829 0.000 -1.341) 3.130 107.351 ( 0.491 0.000 0.243) 0.548 107.368 ( -0.055 0.000 0.364) 0.368 107.421 ( 0.765 0.000 -0.287) 0.817 107.452 ( 0.027 0.000 -0.208) 0.210 109.316 ( 0.293 0.000 0.114) 0.314 109.337 ( 0.233 0.000 -0.158) 0.282 109.357 ( 0.160 0.000 0.487) 0.513 109.428 ( 0.345 0.000 -0.678) 0.761 ======================= Grid point 60 (24/78) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 7.175 0.000 1.820) 7.403 3.228 ( -14.003 0.000 4.983) 14.864 3.342 ( -8.067 0.000 -2.414) 8.420 3.484 ( 5.506 0.000 1.664) 5.752 3.609 ( -20.613 0.000 -0.681) 20.625 3.698 ( -2.449 0.000 -5.541) 6.058 3.899 ( 3.938 0.000 -0.099) 3.940 3.960 ( 20.196 0.000 10.082) 22.573 4.163 ( -0.432 0.000 -2.503) 2.540 4.211 ( 14.210 0.000 -12.308) 18.799 4.272 ( 12.183 0.000 -11.883) 17.019 4.305 ( 6.771 0.000 -9.617) 11.762 4.613 ( 2.008 0.000 9.409) 9.621 4.742 ( -8.426 0.000 -1.321) 8.529 4.808 ( 0.801 0.000 -2.152) 2.297 4.852 ( -15.865 0.000 1.957) 15.985 4.952 ( -7.695 0.000 -3.551) 8.474 5.101 ( -3.178 0.000 -1.360) 3.457 5.300 ( -2.941 0.000 2.200) 3.673 5.346 ( 8.100 0.000 2.530) 8.486 5.498 ( -9.884 0.000 7.917) 12.664 5.508 ( 3.289 0.000 2.858) 4.358 5.639 ( -0.216 0.000 6.897) 6.900 5.683 ( 1.828 0.000 4.912) 5.241 5.830 ( -1.127 0.000 2.637) 2.867 5.966 ( 5.614 0.000 1.728) 5.874 5.999 ( 3.189 0.000 1.132) 3.384 6.130 ( 1.769 0.000 0.485) 1.835 6.186 ( -9.608 0.000 5.113) 10.884 6.291 ( -2.933 0.000 -5.502) 6.235 6.318 ( 0.994 0.000 -1.694) 1.964 6.476 ( 7.590 0.000 -2.765) 8.078 6.713 ( 5.189 0.000 -4.744) 7.030 6.827 ( 5.759 0.000 -7.098) 9.140 6.829 ( -4.983 0.000 5.197) 7.199 6.843 ( -3.086 0.000 -7.504) 8.114 6.908 ( -1.582 0.000 1.663) 2.295 7.074 ( 1.293 0.000 2.712) 3.004 7.159 ( 6.718 0.000 -4.850) 8.285 7.306 ( -4.240 0.000 -2.901) 5.138 7.360 ( 13.417 0.000 -1.065) 13.459 7.377 ( -12.866 0.000 3.216) 13.262 7.446 ( -3.714 0.000 4.596) 5.909 7.576 ( -4.317 0.000 6.052) 7.433 7.576 ( 9.341 0.000 -4.963) 10.578 7.706 ( -8.085 0.000 -9.557) 12.518 7.906 ( -1.828 0.000 -3.858) 4.269 8.056 ( 2.928 0.000 -10.590) 10.988 8.146 ( 3.666 0.000 5.385) 6.515 8.324 ( 1.359 0.000 4.747) 4.937 8.367 ( 7.760 0.000 2.972) 8.310 8.466 ( 1.108 0.000 -8.491) 8.563 8.530 ( -10.332 0.000 -2.668) 10.671 8.609 ( -0.347 0.000 7.870) 7.878 8.626 ( -2.164 0.000 -9.234) 9.485 8.884 ( -1.122 0.000 -0.736) 1.342 8.952 ( -6.318 0.000 13.096) 14.541 9.093 ( 5.727 0.000 0.931) 5.802 9.157 ( 0.460 0.000 8.013) 8.026 9.199 ( 0.826 0.000 -4.454) 4.530 9.425 ( -1.880 0.000 1.063) 2.160 9.441 ( 1.034 0.000 -2.495) 2.701 9.516 ( 4.527 0.000 4.630) 6.476 9.573 ( -5.879 0.000 -1.726) 6.127 9.705 ( -3.349 0.000 4.580) 5.674 9.788 ( 1.789 0.000 6.399) 6.644 9.829 ( -2.612 0.000 1.766) 3.153 9.838 ( -1.972 0.000 0.872) 2.157 10.137 ( 0.674 0.000 -6.499) 6.534 10.239 ( 4.569 0.000 -0.195) 4.573 10.311 ( -3.626 0.000 4.639) 5.888 10.436 ( 5.397 0.000 -0.946) 5.479 10.525 ( -0.486 0.000 5.815) 5.835 10.569 ( 1.663 0.000 0.913) 1.897 10.712 ( -0.721 0.000 -0.061) 0.723 10.832 ( 9.571 0.000 -14.558) 17.422 10.951 ( 3.136 0.000 -0.275) 3.148 11.069 ( -3.429 0.000 -3.397) 4.827 11.083 ( -3.611 0.000 0.564) 3.655 11.202 ( -0.174 0.000 -1.739) 1.748 11.293 ( 0.024 0.000 1.889) 1.889 11.500 ( -1.910 0.000 3.726) 4.187 11.552 ( -3.588 0.000 -6.516) 7.438 11.571 ( -1.104 0.000 -0.905) 1.428 11.836 ( -2.854 0.000 4.391) 5.237 11.900 ( 5.811 0.000 7.620) 9.583 11.935 ( -0.437 0.000 2.845) 2.879 12.067 ( 0.624 0.000 0.053) 0.626 12.292 ( 0.931 0.000 -4.211) 4.313 12.332 ( -3.602 0.000 -3.874) 5.290 12.449 ( 1.059 0.000 0.237) 1.085 12.718 ( -1.932 0.000 -6.139) 6.436 12.751 ( 1.189 0.000 -6.229) 6.342 12.880 ( -0.925 0.000 -3.856) 3.966 12.895 ( 6.832 0.000 -3.091) 7.499 12.964 ( 5.627 0.000 -1.584) 5.846 12.993 ( -4.343 0.000 -6.129) 7.512 13.088 ( 0.975 0.000 -1.222) 1.563 13.206 ( 4.450 0.000 7.652) 8.852 13.231 ( -2.217 0.000 4.492) 5.009 13.592 ( -3.340 0.000 1.188) 3.545 13.689 ( 3.824 0.000 5.407) 6.623 13.697 ( -0.154 0.000 4.025) 4.028 13.781 ( -5.279 0.000 -5.001) 7.272 14.047 ( -1.868 0.000 -1.159) 2.198 14.141 ( -3.338 0.000 -3.264) 4.669 14.329 ( 2.219 0.000 7.295) 7.625 14.453 ( -3.971 0.000 -2.552) 4.720 14.624 ( -3.736 0.000 6.422) 7.430 14.817 ( 9.110 0.000 6.697) 11.306 15.012 ( -2.989 0.000 -5.342) 6.121 15.084 ( 2.946 0.000 -1.742) 3.423 15.231 ( -3.385 0.000 2.742) 4.356 15.434 ( -2.932 0.000 4.149) 5.080 15.443 ( -0.928 0.000 -0.337) 0.987 15.493 ( 5.380 0.000 2.702) 6.020 15.550 ( -2.070 0.000 2.064) 2.923 15.841 ( 4.280 0.000 -8.137) 9.194 16.000 ( -0.103 0.000 -0.231) 0.253 16.042 ( -2.643 0.000 -2.358) 3.542 16.157 ( -5.834 0.000 5.169) 7.794 16.263 ( -1.370 0.000 0.932) 1.657 16.449 ( 1.371 0.000 -3.277) 3.552 16.605 ( 1.615 0.000 -4.790) 5.055 16.648 ( 5.807 0.000 2.408) 6.286 16.715 ( -3.574 0.000 1.002) 3.712 16.775 ( 0.517 0.000 -0.258) 0.578 16.851 ( -0.954 0.000 1.354) 1.656 16.928 ( 6.575 0.000 -2.088) 6.899 17.077 ( 3.264 0.000 -1.619) 3.644 17.146 ( -1.876 0.000 3.162) 3.677 17.449 ( -0.985 0.000 -5.211) 5.304 17.528 ( -3.852 0.000 6.257) 7.348 17.833 ( 1.328 0.000 -1.847) 2.275 19.296 ( -0.472 0.000 0.803) 0.932 19.458 ( -1.422 0.000 -2.174) 2.597 19.871 ( 4.067 0.000 1.683) 4.401 19.924 ( -2.326 0.000 1.504) 2.770 21.255 ( 1.353 0.000 0.676) 1.513 21.366 ( -0.195 0.000 3.266) 3.272 21.397 ( 0.802 0.000 -1.756) 1.931 21.539 ( -1.298 0.000 -1.540) 2.014 21.813 ( 1.883 0.000 3.069) 3.601 22.082 ( -1.874 0.000 -2.846) 3.408 22.708 ( -1.170 0.000 1.538) 1.933 22.764 ( 0.973 0.000 0.447) 1.071 24.617 ( -0.409 0.000 1.568) 1.621 24.687 ( -0.254 0.000 -0.023) 0.255 24.691 ( 0.517 0.000 0.372) 0.637 24.872 ( 1.438 0.000 -4.285) 4.520 25.088 ( 0.128 0.000 2.350) 2.353 25.262 ( -3.106 0.000 -1.108) 3.297 25.426 ( 2.984 0.000 0.706) 3.066 25.504 ( -1.637 0.000 -0.734) 1.794 26.664 ( -0.835 0.000 -4.330) 4.410 26.730 ( -0.742 0.000 -5.054) 5.109 27.036 ( 0.278 0.000 2.790) 2.804 27.058 ( -1.474 0.000 1.917) 2.418 27.754 ( -1.161 0.000 -1.799) 2.141 27.871 ( -0.663 0.000 -5.149) 5.191 28.116 ( -1.810 0.000 5.457) 5.749 28.170 ( 3.543 0.000 5.700) 6.711 28.531 ( -0.542 0.000 5.673) 5.699 28.559 ( 0.959 0.000 1.996) 2.215 28.767 ( -1.486 0.000 -0.906) 1.741 29.011 ( 2.187 0.000 -4.039) 4.593 30.032 ( -1.784 0.000 -1.219) 2.161 30.147 ( 4.395 0.000 3.208) 5.441 30.202 ( -2.276 0.000 -4.370) 4.927 30.332 ( -0.036 0.000 -1.563) 1.563 30.809 ( -0.624 0.000 1.558) 1.679 31.075 ( 2.656 0.000 -5.848) 6.423 31.565 ( -6.222 0.000 3.241) 7.016 31.646 ( 2.341 0.000 -0.844) 2.488 31.998 ( -1.868 0.000 1.706) 2.530 32.127 ( 3.302 0.000 0.454) 3.333 32.224 ( 1.331 0.000 2.282) 2.642 32.293 ( 0.870 0.000 0.022) 0.870 32.479 ( 0.030 0.000 2.342) 2.342 32.723 ( 0.704 0.000 1.358) 1.530 32.756 ( -2.348 0.000 -2.557) 3.472 32.808 ( 0.374 0.000 -1.502) 1.548 99.261 ( -0.090 0.000 0.971) 0.975 99.300 ( 0.518 0.000 0.156) 0.541 99.340 ( -0.066 0.000 -0.112) 0.130 99.373 ( -0.835 0.000 -0.848) 1.190 102.272 ( 0.262 0.000 1.305) 1.331 102.275 ( -1.036 0.000 1.265) 1.635 102.464 ( -0.715 0.000 -1.127) 1.335 102.477 ( 0.569 0.000 -1.363) 1.477 107.360 ( 0.067 0.000 0.593) 0.597 107.376 ( 0.315 0.000 0.980) 1.030 107.423 ( -0.159 0.000 -0.726) 0.743 107.447 ( -0.108 0.000 -0.607) 0.617 109.322 ( 0.085 0.000 0.243) 0.257 109.339 ( 0.070 0.000 -0.164) 0.178 109.361 ( -0.173 0.000 0.634) 0.657 109.427 ( 0.209 0.000 -0.757) 0.786 ======================= Grid point 61 (25/78) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -32.491 0.000 -0.719) 32.499 3.051 ( -29.167 0.000 3.491) 29.375 3.154 ( -5.879 0.000 -6.623) 8.856 3.261 ( -0.189 0.000 9.802) 9.804 3.555 ( -7.631 0.000 -4.580) 8.900 3.655 ( 5.251 0.000 -2.600) 5.860 3.846 ( -5.586 0.000 -3.431) 6.555 4.137 ( -11.356 0.000 -9.903) 15.068 4.200 ( -1.474 0.000 -1.812) 2.335 4.271 ( 1.309 0.000 -7.924) 8.031 4.404 ( 10.083 0.000 10.670) 14.681 4.418 ( -11.760 0.000 6.555) 13.463 4.483 ( 16.093 0.000 -13.127) 20.768 4.648 ( -18.000 0.000 7.937) 19.672 4.751 ( 4.066 0.000 -7.811) 8.806 4.847 ( 2.616 0.000 0.214) 2.625 4.852 ( -4.869 0.000 -5.140) 7.080 4.920 ( 4.648 0.000 6.693) 8.148 5.212 ( -7.296 0.000 0.792) 7.339 5.389 ( -8.504 0.000 9.844) 13.009 5.562 ( 11.345 0.000 -1.564) 11.452 5.587 ( 2.293 0.000 -0.261) 2.308 5.691 ( -4.187 0.000 1.985) 4.634 5.707 ( 2.790 0.000 2.739) 3.910 5.775 ( -6.986 0.000 8.015) 10.632 5.987 ( -3.116 0.000 3.557) 4.729 6.055 ( -1.639 0.000 7.630) 7.804 6.189 ( 10.790 0.000 -5.521) 12.121 6.236 ( 5.098 0.000 -0.460) 5.118 6.392 ( 9.294 0.000 -4.237) 10.215 6.418 ( 12.407 0.000 3.001) 12.765 6.527 ( -8.464 0.000 -1.248) 8.555 6.676 ( 12.862 0.000 -4.405) 13.595 6.785 ( -3.071 0.000 5.480) 6.282 6.842 ( 4.510 0.000 -8.110) 9.280 6.872 ( -5.068 0.000 -1.239) 5.217 6.947 ( 4.249 0.000 -3.516) 5.514 7.022 ( -7.258 0.000 -5.835) 9.313 7.066 ( -1.097 0.000 -4.898) 5.019 7.221 ( 3.672 0.000 -4.390) 5.723 7.359 ( -0.923 0.000 3.817) 3.927 7.424 ( -3.885 0.000 9.343) 10.119 7.492 ( 1.858 0.000 -1.103) 2.161 7.512 ( -0.745 0.000 -8.480) 8.512 7.639 ( 2.748 0.000 3.795) 4.685 7.702 ( 4.240 0.000 1.274) 4.427 7.896 ( 5.823 0.000 -5.723) 8.165 8.052 ( 2.198 0.000 -4.086) 4.640 8.192 ( -2.800 0.000 -4.456) 5.263 8.322 ( -4.283 0.000 5.410) 6.900 8.330 ( -3.167 0.000 -3.044) 4.393 8.413 ( 1.575 0.000 -0.945) 1.837 8.563 ( 0.129 0.000 -4.024) 4.026 8.570 ( 4.167 0.000 1.944) 4.599 8.720 ( 6.351 0.000 7.427) 9.772 8.884 ( 0.883 0.000 2.483) 2.636 8.925 ( -6.858 0.000 11.991) 13.814 9.135 ( -0.332 0.000 -3.938) 3.952 9.185 ( 1.975 0.000 -5.982) 6.299 9.266 ( 3.732 0.000 4.478) 5.829 9.381 ( -4.875 0.000 0.289) 4.884 9.408 ( -1.125 0.000 1.434) 1.822 9.506 ( -0.890 0.000 -0.647) 1.100 9.608 ( -5.371 0.000 2.130) 5.777 9.678 ( 5.420 0.000 2.530) 5.981 9.785 ( -1.605 0.000 0.400) 1.654 9.847 ( 2.404 0.000 2.996) 3.842 9.856 ( -0.745 0.000 4.246) 4.311 10.075 ( -0.666 0.000 -6.413) 6.447 10.287 ( -1.657 0.000 3.773) 4.120 10.306 ( 1.359 0.000 -1.071) 1.730 10.510 ( -7.057 0.000 2.308) 7.424 10.543 ( 4.684 0.000 -0.778) 4.748 10.587 ( 0.877 0.000 6.122) 6.184 10.710 ( 1.438 0.000 -5.970) 6.141 10.870 ( -0.455 0.000 -6.305) 6.321 10.976 ( 2.701 0.000 -5.452) 6.085 10.983 ( -3.051 0.000 -3.054) 4.317 11.041 ( 4.214 0.000 3.214) 5.300 11.171 ( -0.108 0.000 -0.673) 0.682 11.370 ( 2.677 0.000 2.542) 3.692 11.451 ( -2.727 0.000 2.574) 3.750 11.546 ( 1.566 0.000 -2.290) 2.774 11.575 ( 4.064 0.000 -2.698) 4.878 11.815 ( 0.674 0.000 -1.115) 1.303 11.938 ( -2.960 0.000 3.604) 4.663 12.068 ( 0.258 0.000 2.073) 2.089 12.121 ( 6.967 0.000 7.565) 10.284 12.257 ( 0.462 0.000 -6.391) 6.408 12.293 ( 1.925 0.000 -4.187) 4.608 12.481 ( 3.102 0.000 1.884) 3.629 12.663 ( 0.737 0.000 -3.020) 3.109 12.781 ( -3.743 0.000 -7.299) 8.203 12.804 ( 7.004 0.000 -0.839) 7.054 12.841 ( -4.233 0.000 -8.529) 9.522 12.975 ( 3.995 0.000 -3.250) 5.150 13.051 ( -1.860 0.000 -1.797) 2.586 13.064 ( 6.557 0.000 -4.303) 7.843 13.257 ( -3.351 0.000 13.210) 13.629 13.368 ( 3.968 0.000 7.601) 8.575 13.477 ( -5.343 0.000 -3.168) 6.212 13.588 ( -8.302 0.000 -1.403) 8.419 13.717 ( -2.737 0.000 -1.334) 3.045 13.814 ( 2.226 0.000 7.215) 7.550 14.022 ( 1.231 0.000 -1.389) 1.856 14.024 ( -4.817 0.000 -4.414) 6.533 14.336 ( -6.400 0.000 0.610) 6.429 14.412 ( -0.739 0.000 7.842) 7.876 14.619 ( -2.000 0.000 4.348) 4.786 14.932 ( -1.071 0.000 -1.640) 1.958 15.054 ( 7.896 0.000 2.671) 8.335 15.107 ( 1.758 0.000 -4.223) 4.574 15.182 ( -5.407 0.000 6.095) 8.148 15.387 ( -3.628 0.000 1.692) 4.003 15.433 ( 0.421 0.000 -2.177) 2.217 15.510 ( -3.098 0.000 1.573) 3.474 15.584 ( 2.755 0.000 -0.117) 2.757 15.834 ( 0.915 0.000 -8.228) 8.279 15.973 ( -2.846 0.000 1.458) 3.198 16.010 ( 1.234 0.000 -0.169) 1.246 16.070 ( -5.821 0.000 2.938) 6.520 16.272 ( 1.579 0.000 -0.232) 1.596 16.431 ( -0.619 0.000 -2.754) 2.823 16.549 ( -3.179 0.000 -2.861) 4.277 16.597 ( -6.796 0.000 -0.905) 6.856 16.772 ( 4.405 0.000 4.817) 6.528 16.828 ( 3.955 0.000 -1.147) 4.118 16.938 ( 7.646 0.000 -1.895) 7.878 17.019 ( 4.285 0.000 -2.673) 5.050 17.103 ( -0.088 0.000 -0.017) 0.089 17.170 ( 0.847 0.000 6.448) 6.503 17.352 ( -4.045 0.000 -3.862) 5.592 17.555 ( 2.389 0.000 3.419) 4.171 17.840 ( 0.585 0.000 -0.880) 1.056 19.321 ( 2.023 0.000 1.599) 2.579 19.428 ( 0.620 0.000 -2.117) 2.206 19.859 ( -4.686 0.000 -0.140) 4.688 19.992 ( 5.747 0.000 3.014) 6.489 21.289 ( 0.943 0.000 1.104) 1.452 21.391 ( 0.034 0.000 4.382) 4.383 21.397 ( 0.990 0.000 -2.760) 2.932 21.494 ( -1.667 0.000 -1.746) 2.414 21.922 ( 5.620 0.000 4.644) 7.290 22.018 ( -1.395 0.000 -4.575) 4.783 22.713 ( 0.445 0.000 1.056) 1.146 22.808 ( 3.010 0.000 1.038) 3.185 24.607 ( -2.399 0.000 1.757) 2.974 24.657 ( -2.463 0.000 -0.146) 2.468 24.684 ( -1.475 0.000 0.282) 1.502 24.842 ( -0.617 0.000 -4.273) 4.317 25.107 ( -0.896 0.000 3.691) 3.798 25.221 ( 0.086 0.000 -2.259) 2.261 25.498 ( 3.327 0.000 1.994) 3.879 25.515 ( 4.145 0.000 -2.197) 4.692 26.632 ( 0.837 0.000 -3.231) 3.338 26.679 ( 0.172 0.000 -5.440) 5.443 27.059 ( -0.007 0.000 1.646) 1.646 27.080 ( 1.944 0.000 2.469) 3.143 27.739 ( 0.572 0.000 -1.056) 1.201 27.846 ( 1.790 0.000 -3.532) 3.959 28.098 ( -3.071 0.000 3.451) 4.620 28.306 ( 5.434 0.000 4.558) 7.092 28.582 ( -0.813 0.000 3.343) 3.440 28.605 ( 2.426 0.000 5.931) 6.408 28.746 ( 0.831 0.000 -2.736) 2.859 29.043 ( 4.542 0.000 -3.522) 5.747 29.965 ( -5.648 0.000 1.446) 5.830 30.056 ( -8.318 0.000 -4.733) 9.571 30.219 ( 0.255 0.000 2.120) 2.135 30.249 ( -6.459 0.000 -3.857) 7.523 30.780 ( -3.352 0.000 2.449) 4.152 31.047 ( -0.361 0.000 -5.770) 5.782 31.452 ( -7.509 0.000 1.245) 7.612 31.685 ( 1.712 0.000 0.420) 1.763 31.955 ( -3.663 0.000 0.875) 3.766 32.143 ( -1.611 0.000 3.294) 3.666 32.291 ( 2.879 0.000 1.543) 3.266 32.321 ( 2.320 0.000 -0.112) 2.323 32.576 ( 5.925 0.000 3.219) 6.743 32.682 ( -1.779 0.000 -3.081) 3.558 32.752 ( 0.671 0.000 2.217) 2.317 32.796 ( 0.260 0.000 -2.093) 2.109 99.261 ( -0.757 0.000 0.908) 1.182 99.314 ( 0.436 0.000 0.716) 0.839 99.346 ( 0.606 0.000 0.484) 0.776 99.354 ( -0.023 0.000 -1.761) 1.761 102.260 ( -1.248 0.000 0.889) 1.532 102.298 ( 0.871 0.000 2.562) 2.706 102.439 ( -0.514 0.000 -1.902) 1.971 102.503 ( 2.888 0.000 -1.191) 3.124 107.364 ( -0.317 0.000 0.891) 0.946 107.395 ( 0.624 0.000 1.272) 1.417 107.403 ( -1.027 0.000 -0.971) 1.414 107.439 ( -0.101 0.000 -0.888) 0.894 109.323 ( -0.105 0.000 0.264) 0.284 109.337 ( -0.118 0.000 -0.207) 0.238 109.361 ( -0.489 0.000 0.769) 0.912 109.423 ( 0.060 0.000 -0.949) 0.951 ======================= Grid point 62 (26/78) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -36.809 0.000 1.543) 36.841 2.430 ( -38.538 0.000 8.976) 39.570 3.072 ( 2.738 0.000 -3.515) 4.456 3.342 ( -10.946 0.000 -3.748) 11.570 3.364 ( -15.573 0.000 -7.362) 17.225 3.443 ( -0.447 0.000 5.760) 5.778 3.690 ( -15.467 0.000 -2.406) 15.653 3.831 ( -28.355 0.000 -5.683) 28.919 4.030 ( 4.501 0.000 -4.990) 6.720 4.133 ( -12.173 0.000 -6.414) 13.759 4.224 ( -13.196 0.000 14.084) 19.300 4.352 ( -0.693 0.000 6.069) 6.108 4.474 ( 1.733 0.000 -2.755) 3.255 4.754 ( 6.334 0.000 -8.764) 10.813 4.853 ( 1.237 0.000 0.164) 1.247 4.883 ( 10.383 0.000 -11.656) 15.610 4.954 ( 11.677 0.000 4.521) 12.522 5.060 ( 1.257 0.000 1.738) 2.145 5.143 ( 1.030 0.000 3.827) 3.963 5.342 ( -3.411 0.000 7.568) 8.301 5.522 ( -6.878 0.000 -0.804) 6.925 5.629 ( -2.655 0.000 -1.814) 3.216 5.702 ( 3.169 0.000 3.565) 4.770 5.730 ( 0.444 0.000 2.175) 2.219 5.861 ( 9.334 0.000 -0.538) 9.350 6.026 ( 2.880 0.000 4.521) 5.361 6.137 ( 1.360 0.000 6.972) 7.104 6.146 ( -8.195 0.000 -0.965) 8.252 6.329 ( 6.789 0.000 -2.983) 7.416 6.472 ( 1.909 0.000 -4.382) 4.780 6.514 ( -6.975 0.000 -0.244) 6.980 6.606 ( 12.059 0.000 -4.861) 13.002 6.698 ( -4.812 0.000 1.511) 5.044 6.789 ( -4.866 0.000 -8.564) 9.850 6.846 ( 7.673 0.000 -3.920) 8.616 6.870 ( 0.807 0.000 5.151) 5.214 6.948 ( 2.208 0.000 2.358) 3.230 7.019 ( 1.609 0.000 -6.941) 7.125 7.074 ( 15.189 0.000 1.061) 15.226 7.226 ( 3.576 0.000 -4.937) 6.096 7.364 ( 0.431 0.000 0.334) 0.545 7.401 ( -4.472 0.000 1.099) 4.605 7.541 ( 6.565 0.000 -3.709) 7.540 7.611 ( 10.512 0.000 0.475) 10.523 7.676 ( 0.077 0.000 3.345) 3.346 7.728 ( -3.362 0.000 3.404) 4.785 7.951 ( 4.070 0.000 -9.482) 10.318 8.016 ( -4.485 0.000 4.699) 6.496 8.131 ( 1.972 0.000 -3.975) 4.437 8.256 ( -3.553 0.000 -0.188) 3.558 8.335 ( -2.389 0.000 6.946) 7.345 8.450 ( -1.013 0.000 7.378) 7.447 8.561 ( 3.091 0.000 -3.738) 4.851 8.601 ( -1.482 0.000 3.469) 3.773 8.857 ( -2.998 0.000 8.617) 9.124 8.938 ( 0.745 0.000 4.406) 4.468 8.967 ( 3.104 0.000 10.514) 10.962 9.064 ( -0.466 0.000 -7.021) 7.037 9.166 ( 2.216 0.000 -8.112) 8.409 9.250 ( -5.978 0.000 -4.430) 7.440 9.307 ( 1.475 0.000 -2.375) 2.796 9.429 ( -3.267 0.000 3.185) 4.563 9.469 ( -7.248 0.000 0.724) 7.284 9.553 ( 6.285 0.000 3.061) 6.991 9.786 ( 0.040 0.000 4.245) 4.245 9.828 ( 3.907 0.000 1.862) 4.328 9.897 ( 3.866 0.000 1.142) 4.031 9.932 ( 3.059 0.000 3.024) 4.301 10.032 ( 4.346 0.000 -8.433) 9.487 10.272 ( -0.600 0.000 -5.561) 5.594 10.310 ( 0.686 0.000 1.280) 1.452 10.398 ( -7.192 0.000 3.387) 7.950 10.558 ( -1.410 0.000 -4.076) 4.313 10.651 ( 0.846 0.000 5.907) 5.967 10.653 ( 0.004 0.000 -9.120) 9.120 10.742 ( -6.285 0.000 1.749) 6.524 10.918 ( -0.516 0.000 -3.318) 3.358 11.039 ( 2.442 0.000 -2.887) 3.781 11.165 ( 4.715 0.000 1.508) 4.950 11.183 ( 2.839 0.000 -5.175) 5.902 11.391 ( -0.867 0.000 4.413) 4.498 11.450 ( 0.661 0.000 0.524) 0.843 11.592 ( -0.797 0.000 1.336) 1.556 11.640 ( 7.260 0.000 -1.382) 7.390 11.845 ( 4.667 0.000 -5.309) 7.069 11.873 ( -5.044 0.000 2.102) 5.464 12.123 ( 1.764 0.000 3.687) 4.088 12.201 ( 3.100 0.000 -7.352) 7.979 12.282 ( -0.147 0.000 -1.398) 1.406 12.284 ( 0.893 0.000 7.387) 7.441 12.624 ( -5.441 0.000 -4.243) 6.900 12.631 ( 8.669 0.000 2.234) 8.952 12.695 ( 1.571 0.000 -4.239) 4.521 12.745 ( 4.053 0.000 -5.640) 6.946 12.964 ( 4.061 0.000 0.943) 4.169 12.974 ( 2.264 0.000 -0.856) 2.421 13.026 ( -0.213 0.000 1.561) 1.575 13.158 ( 8.243 0.000 -4.928) 9.604 13.201 ( -8.746 0.000 0.019) 8.746 13.420 ( -4.728 0.000 0.821) 4.799 13.472 ( 2.379 0.000 9.811) 10.096 13.477 ( -1.357 0.000 1.650) 2.136 13.596 ( -7.333 0.000 -2.305) 7.687 13.880 ( -0.895 0.000 5.235) 5.311 13.898 ( -4.434 0.000 -4.043) 6.000 14.051 ( 0.882 0.000 0.606) 1.070 14.251 ( -2.737 0.000 2.297) 3.573 14.418 ( -4.527 0.000 4.979) 6.730 14.592 ( -4.938 0.000 3.470) 6.035 14.913 ( -1.025 0.000 0.761) 1.277 15.084 ( 0.256 0.000 -3.591) 3.600 15.101 ( -1.264 0.000 -6.648) 6.767 15.149 ( -2.779 0.000 4.855) 5.594 15.351 ( -2.015 0.000 2.582) 3.275 15.358 ( -5.332 0.000 -2.920) 6.080 15.521 ( 2.676 0.000 0.356) 2.700 15.645 ( 4.122 0.000 0.127) 4.124 15.763 ( -0.254 0.000 -5.979) 5.984 15.927 ( -2.841 0.000 -0.192) 2.847 16.033 ( -1.173 0.000 3.331) 3.531 16.041 ( 1.884 0.000 0.325) 1.912 16.297 ( 1.300 0.000 -1.259) 1.810 16.343 ( -8.644 0.000 -1.282) 8.739 16.430 ( -2.340 0.000 -2.555) 3.465 16.553 ( 1.138 0.000 -0.882) 1.440 16.850 ( 1.209 0.000 -2.138) 2.457 16.919 ( 4.706 0.000 4.077) 6.227 17.035 ( 3.342 0.000 -6.661) 7.453 17.048 ( -5.901 0.000 0.965) 5.980 17.063 ( 4.986 0.000 -1.297) 5.152 17.275 ( 2.759 0.000 7.541) 8.029 17.280 ( -0.133 0.000 -1.574) 1.580 17.670 ( 6.765 0.000 1.997) 7.054 17.848 ( 0.500 0.000 1.392) 1.479 19.397 ( 3.655 0.000 3.133) 4.814 19.449 ( 2.795 0.000 -0.998) 2.968 19.758 ( -5.052 0.000 -0.634) 5.091 20.121 ( 5.377 0.000 1.240) 5.518 21.305 ( -0.148 0.000 1.496) 1.504 21.376 ( 0.101 0.000 -4.982) 4.983 21.447 ( 1.572 0.000 4.430) 4.701 21.462 ( -0.595 0.000 -0.362) 0.697 21.959 ( -0.566 0.000 -4.391) 4.428 22.082 ( 6.654 0.000 4.220) 7.880 22.740 ( 1.617 0.000 0.672) 1.751 22.894 ( 4.873 0.000 1.179) 5.014 24.545 ( -5.449 0.000 1.251) 5.591 24.600 ( -3.293 0.000 -0.090) 3.295 24.646 ( -2.548 0.000 -0.074) 2.549 24.785 ( -1.479 0.000 -3.841) 4.115 25.116 ( -1.493 0.000 4.139) 4.400 25.215 ( 1.269 0.000 -2.789) 3.064 25.588 ( 3.681 0.000 3.960) 5.407 25.623 ( 8.840 0.000 -2.133) 9.094 26.641 ( 1.921 0.000 -0.985) 2.159 26.651 ( 1.082 0.000 -3.670) 3.826 27.084 ( 1.078 0.000 1.582) 1.914 27.149 ( 3.144 0.000 2.070) 3.764 27.747 ( 0.295 0.000 0.673) 0.735 27.874 ( 3.393 0.000 -2.163) 4.024 28.080 ( -0.873 0.000 1.617) 1.837 28.405 ( 1.496 0.000 -0.541) 1.590 28.614 ( 1.428 0.000 5.549) 5.730 28.703 ( 3.035 0.000 4.275) 5.243 28.748 ( 2.403 0.000 -4.541) 5.138 29.120 ( 5.760 0.000 -2.366) 6.227 29.831 ( -11.360 0.000 -2.754) 11.689 29.833 ( -10.035 0.000 2.981) 10.468 30.024 ( -12.709 0.000 -4.969) 13.646 30.170 ( -5.887 0.000 -1.753) 6.142 30.752 ( -2.147 0.000 4.056) 4.590 30.980 ( -1.582 0.000 -4.460) 4.732 31.294 ( -9.307 0.000 -0.755) 9.337 31.710 ( 0.183 0.000 0.988) 1.005 31.875 ( -4.721 0.000 -0.544) 4.753 32.170 ( 0.707 0.000 6.457) 6.496 32.323 ( 0.231 0.000 -1.569) 1.586 32.381 ( 3.868 0.000 -0.120) 3.869 32.662 ( 0.473 0.000 0.318) 0.570 32.716 ( 5.019 0.000 3.811) 6.302 32.783 ( 1.098 0.000 1.515) 1.871 32.814 ( 4.421 0.000 -2.084) 4.888 99.249 ( -1.083 0.000 0.656) 1.266 99.324 ( -0.138 0.000 0.352) 0.378 99.347 ( 1.038 0.000 -1.566) 1.879 99.372 ( 1.123 0.000 1.962) 2.260 102.247 ( -0.905 0.000 0.931) 1.298 102.352 ( 1.598 0.000 5.068) 5.314 102.415 ( -0.172 0.000 -2.175) 2.182 102.555 ( 3.521 0.000 -1.383) 3.783 107.363 ( -0.553 0.000 0.936) 1.087 107.371 ( -1.367 0.000 -0.957) 1.669 107.420 ( 0.885 0.000 1.242) 1.525 107.428 ( -0.173 0.000 -0.998) 1.013 109.322 ( -0.190 0.000 0.168) 0.254 109.330 ( -0.310 0.000 -0.286) 0.422 109.356 ( -0.705 0.000 0.914) 1.155 109.413 ( -0.069 0.000 -1.376) 1.378 ======================= Grid point 63 (27/78) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -36.759 0.000 11.738) 38.587 1.758 ( -42.012 0.000 15.681) 44.843 2.684 ( -61.310 0.000 16.356) 63.454 2.901 ( -18.171 0.000 -7.651) 19.716 3.146 ( -0.174 0.000 1.050) 1.064 3.314 ( 0.616 0.000 -7.492) 7.518 3.571 ( 2.520 0.000 6.107) 6.606 3.614 ( 4.630 0.000 -13.756) 14.515 3.991 ( -2.538 0.000 -7.456) 7.876 4.054 ( 5.522 0.000 -5.570) 7.844 4.264 ( 0.460 0.000 12.134) 12.143 4.365 ( -5.396 0.000 10.613) 11.906 4.426 ( 3.022 0.000 -14.569) 14.879 4.709 ( 4.396 0.000 -5.416) 6.975 4.828 ( -3.697 0.000 -4.020) 5.461 4.940 ( -0.577 0.000 -7.785) 7.806 4.999 ( -1.942 0.000 -5.166) 5.519 5.173 ( 4.826 0.000 -1.839) 5.165 5.248 ( 4.279 0.000 4.449) 6.173 5.388 ( 0.344 0.000 6.284) 6.294 5.427 ( 0.452 0.000 3.523) 3.552 5.570 ( -3.202 0.000 2.620) 4.137 5.734 ( 0.468 0.000 -1.321) 1.401 5.821 ( 3.520 0.000 7.504) 8.289 5.966 ( -6.725 0.000 -0.259) 6.730 6.020 ( 7.189 0.000 -7.722) 10.550 6.134 ( -1.258 0.000 -3.801) 4.004 6.165 ( 3.664 0.000 -0.880) 3.768 6.342 ( -9.896 0.000 -1.485) 10.007 6.394 ( -4.306 0.000 9.549) 10.475 6.422 ( -0.357 0.000 -7.525) 7.534 6.609 ( -3.463 0.000 6.264) 7.158 6.622 ( -2.554 0.000 -8.962) 9.319 6.739 ( 5.511 0.000 -3.180) 6.363 6.796 ( -0.247 0.000 -2.298) 2.311 6.973 ( -3.379 0.000 8.074) 8.752 7.037 ( 6.404 0.000 -12.504) 14.049 7.152 ( 12.761 0.000 3.046) 13.119 7.301 ( -6.397 0.000 4.071) 7.583 7.333 ( 5.686 0.000 3.672) 6.768 7.351 ( 9.872 0.000 -0.871) 9.910 7.438 ( 8.806 0.000 -1.103) 8.875 7.599 ( -2.099 0.000 -10.056) 10.272 7.658 ( 7.115 0.000 -4.896) 8.637 7.727 ( 2.472 0.000 4.088) 4.777 7.820 ( -0.959 0.000 12.807) 12.843 7.936 ( 4.609 0.000 -6.125) 7.665 8.007 ( -4.224 0.000 9.404) 10.309 8.183 ( 5.448 0.000 3.221) 6.329 8.191 ( -1.754 0.000 -0.130) 1.759 8.360 ( -0.478 0.000 9.133) 9.146 8.490 ( -4.484 0.000 14.395) 15.077 8.565 ( 0.512 0.000 -5.500) 5.524 8.595 ( -0.852 0.000 -0.987) 1.304 8.853 ( -2.166 0.000 5.881) 6.267 8.916 ( -4.592 0.000 2.184) 5.085 9.026 ( -6.156 0.000 1.459) 6.327 9.089 ( 6.294 0.000 -4.989) 8.032 9.140 ( 0.966 0.000 -5.181) 5.271 9.158 ( 1.668 0.000 -0.793) 1.847 9.320 ( -0.315 0.000 0.244) 0.398 9.355 ( -2.805 0.000 -0.879) 2.940 9.398 ( -0.177 0.000 0.325) 0.370 9.730 ( 8.155 0.000 4.126) 9.139 9.831 ( -2.306 0.000 1.809) 2.931 9.833 ( 1.003 0.000 -0.188) 1.021 9.963 ( -1.017 0.000 -4.276) 4.396 10.007 ( 6.384 0.000 -1.471) 6.551 10.115 ( 7.547 0.000 -3.834) 8.465 10.203 ( -3.617 0.000 -0.102) 3.619 10.324 ( 1.038 0.000 -0.105) 1.043 10.335 ( -1.329 0.000 3.140) 3.409 10.446 ( -4.506 0.000 -4.279) 6.214 10.580 ( 1.180 0.000 -10.342) 10.409 10.717 ( 1.095 0.000 5.193) 5.307 10.723 ( 1.482 0.000 5.336) 5.538 10.916 ( 3.479 0.000 -4.770) 5.904 10.989 ( -4.676 0.000 -1.909) 5.051 11.129 ( -1.518 0.000 -13.067) 13.155 11.184 ( -2.782 0.000 -0.343) 2.803 11.455 ( 2.721 0.000 3.394) 4.350 11.467 ( 1.832 0.000 -2.502) 3.101 11.601 ( -0.013 0.000 1.550) 1.550 11.668 ( -3.645 0.000 -0.612) 3.695 11.861 ( 1.587 0.000 2.157) 2.678 11.882 ( 2.062 0.000 -2.108) 2.949 12.162 ( -1.425 0.000 3.251) 3.550 12.213 ( 2.754 0.000 -6.556) 7.111 12.310 ( 3.402 0.000 3.455) 4.849 12.344 ( -0.296 0.000 8.743) 8.748 12.503 ( -0.136 0.000 -7.720) 7.721 12.719 ( -0.571 0.000 -6.911) 6.935 12.741 ( 5.452 0.000 -0.508) 5.476 12.842 ( 6.640 0.000 -1.243) 6.756 12.935 ( -0.095 0.000 -1.752) 1.755 12.967 ( -5.487 0.000 0.377) 5.500 13.046 ( -2.804 0.000 5.647) 6.305 13.195 ( 8.636 0.000 -1.175) 8.716 13.314 ( 10.184 0.000 -0.427) 10.193 13.322 ( -5.713 0.000 0.102) 5.714 13.374 ( -6.446 0.000 -3.778) 7.471 13.502 ( -2.022 0.000 1.917) 2.786 13.623 ( 2.454 0.000 8.974) 9.304 13.791 ( -3.704 0.000 2.188) 4.302 13.884 ( -1.955 0.000 2.826) 3.436 14.036 ( -5.359 0.000 5.757) 7.866 14.277 ( 3.288 0.000 0.186) 3.293 14.314 ( -8.663 0.000 1.206) 8.747 14.487 ( -7.799 0.000 0.595) 7.822 14.881 ( -0.685 0.000 -4.847) 4.896 14.999 ( -0.738 0.000 -7.131) 7.169 15.074 ( 0.955 0.000 -2.637) 2.805 15.154 ( -0.714 0.000 4.109) 4.170 15.219 ( -5.744 0.000 -3.327) 6.638 15.330 ( -2.606 0.000 2.966) 3.949 15.580 ( 2.712 0.000 0.815) 2.831 15.693 ( 1.656 0.000 -1.815) 2.457 15.765 ( 1.494 0.000 -0.129) 1.500 15.912 ( 2.889 0.000 -1.353) 3.190 16.036 ( -0.983 0.000 1.353) 1.672 16.078 ( -0.044 0.000 0.181) 0.186 16.163 ( -6.399 0.000 -0.216) 6.403 16.294 ( 0.125 0.000 -2.478) 2.481 16.390 ( -1.366 0.000 -0.816) 1.591 16.592 ( 2.967 0.000 0.341) 2.987 16.797 ( -7.770 0.000 1.842) 7.986 16.922 ( -1.994 0.000 0.392) 2.032 17.018 ( 1.575 0.000 -6.917) 7.094 17.063 ( 4.214 0.000 1.829) 4.594 17.132 ( 3.159 0.000 -1.825) 3.648 17.302 ( 2.318 0.000 -0.065) 2.318 17.367 ( 1.163 0.000 4.451) 4.601 17.822 ( 7.646 0.000 -0.056) 7.646 17.898 ( 2.747 0.000 3.148) 4.178 19.502 ( 3.655 0.000 4.222) 5.584 19.505 ( 3.377 0.000 -0.411) 3.402 19.676 ( -3.038 0.000 1.557) 3.414 20.203 ( 3.492 0.000 -2.661) 4.390 21.318 ( 0.238 0.000 1.393) 1.413 21.330 ( -0.203 0.000 -5.190) 5.194 21.446 ( -0.528 0.000 -2.707) 2.758 21.509 ( 1.222 0.000 2.997) 3.236 21.929 ( 0.365 0.000 -2.108) 2.139 22.228 ( 5.303 0.000 2.274) 5.770 22.784 ( 2.265 0.000 0.707) 2.373 23.005 ( 5.657 0.000 0.420) 5.673 24.432 ( -6.746 0.000 0.888) 6.804 24.531 ( -3.752 0.000 -0.241) 3.759 24.583 ( -3.633 0.000 -0.672) 3.695 24.728 ( -0.917 0.000 -4.340) 4.436 25.124 ( -1.011 0.000 3.634) 3.772 25.220 ( 1.625 0.000 -2.459) 2.948 25.718 ( 4.685 0.000 9.394) 10.498 25.802 ( 10.683 0.000 -0.873) 10.719 26.670 ( 2.334 0.000 2.083) 3.129 26.686 ( 2.265 0.000 1.643) 2.798 27.122 ( 1.419 0.000 1.476) 2.047 27.229 ( 3.261 0.000 1.764) 3.707 27.771 ( 0.863 0.000 3.728) 3.826 27.933 ( 3.878 0.000 -0.693) 3.939 28.082 ( -0.325 0.000 0.300) 0.442 28.356 ( -3.450 0.000 -3.799) 5.132 28.714 ( 3.362 0.000 4.230) 5.403 28.740 ( 1.962 0.000 -7.441) 7.696 28.800 ( 3.629 0.000 2.593) 4.460 29.202 ( 3.792 0.000 -2.495) 4.539 29.590 ( -13.028 0.000 1.148) 13.078 29.645 ( -11.928 0.000 3.664) 12.478 29.728 ( -12.250 0.000 -3.341) 12.697 29.964 ( -11.580 0.000 -7.510) 13.802 30.754 ( -1.382 0.000 2.979) 3.284 30.930 ( -1.148 0.000 -0.764) 1.379 31.092 ( -8.876 0.000 -4.506) 9.955 31.710 ( -1.116 0.000 1.339) 1.743 31.779 ( -3.919 0.000 -1.470) 4.186 32.282 ( 4.797 0.000 6.826) 8.343 32.297 ( -0.648 0.000 -2.016) 2.118 32.459 ( 4.178 0.000 -0.437) 4.200 32.673 ( -0.101 0.000 0.967) 0.972 32.776 ( -0.782 0.000 0.052) 0.784 32.864 ( 5.658 0.000 2.193) 6.068 32.931 ( 8.050 0.000 -0.940) 8.105 99.234 ( -1.052 0.000 0.579) 1.201 99.315 ( 0.006 0.000 -1.477) 1.477 99.365 ( 1.145 0.000 0.375) 1.205 99.426 ( 1.958 0.000 4.343) 4.764 102.241 ( -0.678 0.000 1.123) 1.312 102.397 ( 0.144 0.000 -1.661) 1.667 102.459 ( 3.605 0.000 10.116) 10.740 102.609 ( 3.224 0.000 -1.426) 3.525 107.339 ( -1.221 0.000 -0.637) 1.377 107.358 ( -0.670 0.000 0.717) 0.981 107.416 ( -0.151 0.000 -1.282) 1.291 107.447 ( 0.933 0.000 0.681) 1.155 109.319 ( -0.180 0.000 -0.020) 0.182 109.321 ( -0.395 0.000 -0.357) 0.532 109.350 ( -0.790 0.000 1.022) 1.291 109.395 ( -0.414 0.000 -2.283) 2.320 ======================= Grid point 64 (28/78) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -32.156 0.000 25.402) 40.979 1.134 ( -40.091 0.000 27.774) 48.772 1.717 ( -59.072 0.000 44.451) 73.929 2.595 ( -8.757 0.000 -1.501) 8.885 3.054 ( 2.114 0.000 -15.165) 15.312 3.314 ( -2.942 0.000 4.556) 5.423 3.661 ( 2.214 0.000 -14.507) 14.675 3.769 ( -4.086 0.000 -4.429) 6.027 3.770 ( 17.126 0.000 -9.137) 19.411 4.150 ( 4.263 0.000 -1.028) 4.385 4.351 ( -2.401 0.000 7.086) 7.482 4.366 ( 2.054 0.000 7.446) 7.725 4.450 ( 8.595 0.000 -14.489) 16.846 4.707 ( 0.932 0.000 -7.284) 7.343 4.753 ( -8.636 0.000 -1.010) 8.695 4.827 ( 7.018 0.000 -6.060) 9.272 4.978 ( 1.008 0.000 0.537) 1.143 5.208 ( -2.521 0.000 -1.044) 2.728 5.263 ( 3.790 0.000 -0.656) 3.846 5.399 ( -1.771 0.000 -1.465) 2.298 5.538 ( -2.792 0.000 6.013) 6.630 5.587 ( 3.657 0.000 6.807) 7.727 5.737 ( -1.408 0.000 2.743) 3.084 5.843 ( -8.191 0.000 -10.177) 13.064 5.895 ( -0.825 0.000 2.085) 2.242 5.963 ( 3.853 0.000 -0.115) 3.855 6.055 ( -3.120 0.000 -19.300) 19.551 6.056 ( -14.972 0.000 2.936) 15.257 6.209 ( 5.468 0.000 -0.390) 5.482 6.401 ( -2.957 0.000 3.396) 4.503 6.412 ( -4.995 0.000 7.449) 8.969 6.549 ( 3.480 0.000 -9.148) 9.788 6.619 ( -0.025 0.000 -6.176) 6.176 6.787 ( -1.421 0.000 2.335) 2.733 6.817 ( 5.476 0.000 -2.703) 6.107 6.926 ( -3.168 0.000 -5.630) 6.460 7.098 ( 6.651 0.000 3.223) 7.391 7.278 ( -0.620 0.000 3.951) 3.999 7.323 ( 3.538 0.000 0.459) 3.567 7.428 ( 2.952 0.000 4.012) 4.981 7.450 ( 1.693 0.000 -5.555) 5.807 7.514 ( -1.628 0.000 1.090) 1.959 7.523 ( 1.967 0.000 -4.201) 4.639 7.754 ( 4.542 0.000 3.272) 5.598 7.777 ( -11.725 0.000 10.179) 15.527 7.838 ( 6.717 0.000 -2.618) 7.209 8.020 ( -2.596 0.000 11.265) 11.561 8.059 ( 7.599 0.000 1.069) 7.674 8.268 ( 9.869 0.000 4.831) 10.988 8.375 ( 4.603 0.000 8.118) 9.332 8.412 ( -7.938 0.000 -4.991) 9.377 8.458 ( 1.327 0.000 7.231) 7.352 8.541 ( -1.281 0.000 -2.926) 3.194 8.586 ( -3.217 0.000 11.785) 12.216 8.881 ( 1.582 0.000 -1.953) 2.514 8.890 ( 1.379 0.000 -1.610) 2.120 8.923 ( -0.551 0.000 0.837) 1.002 9.091 ( -0.301 0.000 -4.987) 4.996 9.112 ( 1.091 0.000 7.336) 7.416 9.203 ( 0.541 0.000 2.388) 2.448 9.324 ( 1.323 0.000 -0.352) 1.369 9.369 ( 3.367 0.000 1.945) 3.889 9.442 ( 1.718 0.000 4.392) 4.716 9.740 ( -4.789 0.000 -10.013) 11.099 9.786 ( -5.253 0.000 -4.195) 6.722 9.894 ( 3.291 0.000 -1.418) 3.583 9.910 ( 4.230 0.000 6.716) 7.937 10.066 ( -0.361 0.000 -7.901) 7.909 10.174 ( -0.233 0.000 3.648) 3.655 10.220 ( 3.509 0.000 1.492) 3.813 10.243 ( -5.823 0.000 -0.548) 5.849 10.355 ( -1.979 0.000 6.248) 6.554 10.474 ( 6.508 0.000 -1.473) 6.673 10.516 ( 2.303 0.000 -15.607) 15.776 10.783 ( 1.064 0.000 3.411) 3.574 10.791 ( -0.837 0.000 -5.397) 5.461 10.873 ( -4.062 0.000 -2.800) 4.933 10.937 ( 2.794 0.000 -5.815) 6.451 11.002 ( 1.820 0.000 5.809) 6.088 11.096 ( -3.778 0.000 -3.050) 4.856 11.490 ( 2.885 0.000 -2.837) 4.046 11.508 ( -0.875 0.000 3.741) 3.842 11.544 ( -6.439 0.000 -3.935) 7.546 11.616 ( -0.554 0.000 3.438) 3.482 11.885 ( 0.220 0.000 -1.218) 1.238 11.888 ( -0.764 0.000 0.004) 0.764 12.122 ( -6.026 0.000 5.379) 8.078 12.145 ( -3.911 0.000 -0.574) 3.953 12.435 ( 3.742 0.000 -0.659) 3.799 12.453 ( 4.380 0.000 1.793) 4.733 12.490 ( 5.221 0.000 -6.548) 8.374 12.542 ( -6.485 0.000 -13.819) 15.265 12.829 ( 0.948 0.000 0.752) 1.210 12.893 ( 3.701 0.000 0.917) 3.813 12.934 ( 2.126 0.000 3.320) 3.942 12.995 ( -0.167 0.000 -1.650) 1.658 13.011 ( 1.755 0.000 -0.295) 1.780 13.187 ( -6.187 0.000 0.366) 6.197 13.313 ( 3.520 0.000 -0.879) 3.628 13.352 ( 2.038 0.000 3.090) 3.701 13.456 ( 1.295 0.000 -9.305) 9.394 13.483 ( -2.801 0.000 2.874) 4.013 13.598 ( -0.981 0.000 1.977) 2.207 13.836 ( -2.326 0.000 3.620) 4.303 13.944 ( -9.965 0.000 7.548) 12.501 13.983 ( 7.511 0.000 7.084) 10.325 14.185 ( -5.007 0.000 1.219) 5.153 14.314 ( -3.714 0.000 8.438) 9.219 14.316 ( 0.126 0.000 -1.581) 1.586 14.863 ( 7.800 0.000 -12.927) 15.098 14.975 ( 1.798 0.000 -1.489) 2.335 15.062 ( -0.674 0.000 0.096) 0.681 15.123 ( -1.946 0.000 2.170) 2.915 15.189 ( -0.125 0.000 6.402) 6.403 15.313 ( -1.785 0.000 4.240) 4.600 15.652 ( 3.890 0.000 3.476) 5.216 15.726 ( 2.344 0.000 0.907) 2.513 15.765 ( 1.532 0.000 -5.259) 5.478 15.934 ( -3.592 0.000 0.351) 3.609 15.963 ( -6.237 0.000 -1.902) 6.521 16.066 ( 5.341 0.000 0.379) 5.354 16.181 ( 2.698 0.000 1.633) 3.154 16.271 ( 0.063 0.000 -2.870) 2.871 16.356 ( -1.731 0.000 -0.214) 1.744 16.639 ( -11.158 0.000 7.131) 13.242 16.659 ( 2.275 0.000 2.515) 3.391 16.922 ( 1.258 0.000 -1.374) 1.863 16.980 ( 0.403 0.000 -7.781) 7.791 17.139 ( 2.029 0.000 1.960) 2.821 17.160 ( 0.036 0.000 2.339) 2.339 17.347 ( 1.849 0.000 0.553) 1.930 17.398 ( 0.499 0.000 0.155) 0.522 17.940 ( 5.379 0.000 -2.815) 6.071 17.956 ( 0.738 0.000 -6.703) 6.743 19.557 ( 0.327 0.000 -0.375) 0.497 19.562 ( 2.622 0.000 -0.154) 2.627 19.743 ( 5.168 0.000 9.499) 10.814 20.203 ( 1.153 0.000 -7.260) 7.351 21.259 ( -3.207 0.000 -10.208) 10.700 21.332 ( 0.290 0.000 -0.042) 0.293 21.378 ( -2.925 0.000 -2.475) 3.832 21.533 ( -0.438 0.000 0.733) 0.854 21.939 ( 1.036 0.000 1.037) 1.466 22.311 ( 2.315 0.000 -0.424) 2.354 22.835 ( 1.953 0.000 1.406) 2.406 23.090 ( 2.843 0.000 -2.169) 3.576 24.325 ( -4.715 0.000 1.072) 4.835 24.461 ( -2.913 0.000 -0.218) 2.921 24.510 ( -2.796 0.000 -0.728) 2.889 24.648 ( -3.308 0.000 -8.611) 9.224 25.135 ( -0.860 0.000 2.958) 3.081 25.239 ( 1.893 0.000 -1.258) 2.273 25.962 ( 10.407 0.000 12.000) 15.884 25.987 ( 8.018 0.000 0.000) 8.018 26.749 ( 1.574 0.000 4.127) 4.417 26.874 ( 15.690 0.000 19.486) 25.018 27.160 ( 1.290 0.000 2.337) 2.669 27.292 ( 1.716 0.000 1.372) 2.197 27.880 ( 6.045 0.000 8.856) 10.723 28.003 ( 3.071 0.000 0.966) 3.219 28.061 ( -2.050 0.000 0.002) 2.050 28.247 ( -3.062 0.000 -5.283) 6.106 28.661 ( -2.639 0.000 -8.155) 8.571 28.798 ( 3.141 0.000 2.316) 3.903 28.890 ( 3.620 0.000 1.814) 4.049 29.134 ( -8.024 0.000 -4.723) 9.311 29.440 ( -3.552 0.000 5.935) 6.916 29.469 ( -9.084 0.000 3.592) 9.769 29.543 ( -6.154 0.000 -1.489) 6.332 29.581 ( -19.742 0.000 -12.671) 23.459 30.733 ( -2.001 0.000 -0.336) 2.029 30.852 ( -8.211 0.000 0.146) 8.212 30.991 ( 4.498 0.000 -3.903) 5.955 31.695 ( -1.380 0.000 1.049) 1.733 31.715 ( -1.511 0.000 -0.944) 1.782 32.278 ( 0.045 0.000 -0.716) 0.718 32.429 ( 5.899 0.000 0.812) 5.954 32.478 ( -5.770 0.000 -15.616) 16.648 32.624 ( -10.003 0.000 -13.006) 16.408 32.675 ( -0.338 0.000 0.416) 0.536 33.001 ( 5.241 0.000 2.390) 5.760 33.062 ( 5.648 0.000 -0.997) 5.736 99.221 ( -0.785 0.000 0.601) 0.989 99.303 ( 0.253 0.000 -1.919) 1.936 99.392 ( 0.925 0.000 1.311) 1.604 99.529 ( 4.323 0.000 4.323) 6.113 102.239 ( -0.617 0.000 1.322) 1.459 102.392 ( 0.543 0.000 -1.374) 1.477 102.654 ( 2.518 0.000 -0.834) 2.653 102.704 ( 11.200 0.000 13.046) 17.194 107.318 ( -0.568 0.000 -0.094) 0.576 107.350 ( -0.641 0.000 0.290) 0.703 107.389 ( -1.593 0.000 -2.792) 3.215 107.462 ( 0.400 0.000 -0.410) 0.573 109.311 ( -0.224 0.000 -0.408) 0.465 109.316 ( -0.074 0.000 -0.173) 0.189 109.343 ( -0.793 0.000 0.951) 1.238 109.354 ( -1.585 0.000 -2.157) 2.677 ======================= Grid point 65 (29/78) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 6.246 27.741 25.408) 38.133 1.358 ( -1.340 34.993 26.206) 43.738 2.114 ( -15.745 37.314 30.185) 50.511 2.391 ( -0.505 0.481 17.123) 17.138 3.125 ( 9.926 -23.597 -9.612) 27.345 3.265 ( -8.637 -2.787 -4.930) 10.328 3.319 ( 11.588 2.279 -7.606) 14.047 3.439 ( -7.274 5.516 -16.853) 19.167 4.191 ( -5.317 5.673 -4.409) 8.938 4.207 ( -1.687 -6.812 -13.780) 15.464 4.237 ( 11.074 -6.760 -4.286) 13.664 4.295 ( 3.667 -4.356 -1.347) 5.851 4.548 ( -2.445 2.335 -9.664) 10.239 4.673 ( 0.266 -3.679 2.892) 4.687 4.773 ( 1.743 4.334 4.270) 6.328 4.884 ( -1.661 -24.489 8.929) 26.119 4.964 ( 5.880 6.572 -1.843) 9.009 5.034 ( -1.716 -6.853 4.076) 8.156 5.232 ( 3.277 -1.472 -2.634) 4.455 5.300 ( 0.118 -8.184 2.967) 8.706 5.576 ( -2.676 5.695 -5.490) 8.351 5.625 ( -3.806 10.662 0.887) 11.355 5.715 ( -0.124 0.508 1.481) 1.570 5.812 ( 1.302 4.935 -2.567) 5.713 5.825 ( 3.366 3.095 -9.035) 10.126 5.969 ( -1.719 0.911 1.469) 2.438 6.001 ( 1.262 1.926 -4.224) 4.811 6.056 ( 2.506 4.720 0.376) 5.357 6.106 ( -2.724 0.269 3.609) 4.529 6.287 ( 2.949 -3.334 -3.535) 5.684 6.346 ( -3.558 0.973 2.394) 4.398 6.544 ( -0.605 2.570 4.403) 5.134 6.610 ( -4.349 -7.384 -2.004) 8.801 6.696 ( 0.895 -9.297 -1.633) 9.482 6.807 ( 7.182 6.792 -7.751) 12.561 6.968 ( -1.759 -10.088 2.713) 10.594 7.012 ( 2.117 -12.714 -6.993) 14.664 7.158 ( 1.782 -8.828 6.890) 11.339 7.319 ( 1.082 0.294 -2.279) 2.540 7.402 ( -4.644 4.050 2.918) 6.818 7.450 ( -1.442 4.128 -4.069) 5.973 7.630 ( -2.362 3.726 3.024) 5.348 7.692 ( -5.214 3.760 -0.489) 6.447 7.771 ( 0.884 3.336 2.238) 4.113 7.793 ( -0.461 -5.682 -4.102) 7.023 7.859 ( 2.125 2.625 -0.729) 3.455 7.934 ( -0.002 -0.215 -1.227) 1.246 8.062 ( 0.608 -3.091 6.055) 6.825 8.238 ( 2.337 0.831 -1.646) 2.977 8.346 ( -1.651 -1.404 4.134) 4.668 8.416 ( 1.071 -1.499 -0.644) 1.951 8.470 ( -2.758 3.369 5.899) 7.332 8.546 ( -9.214 -0.117 6.203) 11.107 8.722 ( 2.595 2.415 -0.202) 3.550 8.884 ( -2.971 2.179 -3.105) 4.819 8.944 ( 3.125 -4.625 4.974) 7.476 8.981 ( 1.826 3.815 2.576) 4.952 9.102 ( -3.412 -0.348 3.660) 5.016 9.159 ( -2.795 4.425 3.617) 6.362 9.241 ( 0.806 1.957 1.914) 2.854 9.327 ( -2.299 -1.718 -0.992) 3.036 9.416 ( -2.336 -3.055 0.952) 3.962 9.619 ( 1.257 2.750 6.536) 7.202 9.667 ( 7.141 4.706 -4.411) 9.623 9.728 ( -2.792 3.050 -1.106) 4.280 9.939 ( -0.594 1.481 -4.317) 4.603 10.012 ( 4.375 1.539 1.947) 5.030 10.074 ( 7.527 -3.400 4.784) 9.545 10.139 ( -2.756 -1.826 2.494) 4.142 10.157 ( -0.321 -4.974 1.016) 5.086 10.258 ( -0.353 -1.382 0.186) 1.438 10.383 ( 1.672 2.757 -1.593) 3.597 10.490 ( 4.757 0.931 1.803) 5.171 10.587 ( -6.933 -1.121 0.514) 7.041 10.642 ( 9.204 -4.058 -0.382) 10.066 10.818 ( 3.567 1.451 -5.751) 6.922 10.922 ( 3.923 0.975 0.149) 4.045 10.991 ( 2.389 2.218 -4.024) 5.179 11.077 ( -5.298 5.003 -1.834) 7.514 11.194 ( -4.837 -0.564 -3.191) 5.822 11.353 ( 0.416 -5.874 2.551) 6.418 11.536 ( -0.938 -6.172 0.157) 6.245 11.556 ( 2.966 3.427 -1.491) 4.771 11.691 ( -5.748 4.171 10.800) 12.926 11.867 ( 0.976 0.217 1.000) 1.414 11.922 ( 6.000 2.336 -5.383) 8.393 12.075 ( 3.880 4.614 -2.446) 6.506 12.143 ( 1.225 0.585 4.015) 4.238 12.320 ( -6.754 1.297 -2.948) 7.482 12.354 ( -3.188 1.128 -8.775) 9.404 12.525 ( 1.668 1.483 -4.638) 5.147 12.647 ( 2.625 -0.193 -2.338) 3.521 12.791 ( 0.529 -3.021 3.236) 4.459 12.867 ( 0.063 -5.176 0.238) 5.182 12.938 ( 2.693 -3.510 -1.376) 4.633 12.965 ( 3.499 -2.913 -1.496) 4.792 13.088 ( 0.690 4.255 5.252) 6.794 13.165 ( 2.099 1.667 1.203) 2.938 13.275 ( -4.263 0.872 -1.677) 4.663 13.303 ( -3.843 -0.359 -0.772) 3.936 13.412 ( -4.100 -0.833 0.746) 4.250 13.439 ( -1.182 -1.064 3.451) 3.799 13.642 ( -5.819 2.067 0.795) 6.226 13.757 ( -7.370 -1.816 4.102) 8.628 13.949 ( -6.424 5.204 1.338) 8.375 14.085 ( 3.254 3.700 -4.228) 6.493 14.150 ( 4.316 6.117 3.986) 8.481 14.196 ( -0.999 -4.000 -0.544) 4.159 14.648 ( 6.246 1.989 -12.280) 13.920 14.889 ( 7.765 -3.508 -12.509) 15.135 15.007 ( 0.122 0.327 1.849) 1.882 15.085 ( -2.916 -0.836 2.821) 4.143 15.252 ( 2.038 5.581 5.532) 8.119 15.336 ( 5.194 -1.298 3.816) 6.574 15.375 ( 11.515 -4.019 2.597) 12.470 15.592 ( 7.651 -11.059 7.143) 15.227 15.751 ( -0.152 0.857 -2.372) 2.527 15.823 ( -3.818 -0.549 -2.972) 4.869 15.853 ( 3.387 0.796 -3.898) 5.225 16.023 ( -6.592 -6.385 5.062) 10.481 16.081 ( 7.018 7.045 -5.662) 11.443 16.234 ( 0.640 1.669 1.522) 2.348 16.269 ( -3.095 -2.533 -0.359) 4.015 16.309 ( 2.143 2.009 -0.676) 3.014 16.525 ( -6.648 -1.128 7.482) 10.072 16.604 ( -6.403 -5.574 3.028) 9.014 16.737 ( -2.227 3.294 4.746) 6.192 16.979 ( 0.617 -3.507 -2.424) 4.308 17.171 ( 1.640 0.644 2.537) 3.088 17.223 ( 2.350 -0.061 2.112) 3.160 17.353 ( -1.637 -0.046 0.294) 1.664 17.409 ( -7.296 -1.159 0.582) 7.410 17.548 ( -5.128 2.025 3.806) 6.700 17.883 ( 0.135 -8.195 -4.014) 9.126 19.542 ( 0.659 -1.323 0.831) 1.696 19.559 ( -0.423 -1.644 2.687) 3.178 19.885 ( -3.977 7.773 -9.889) 13.192 20.121 ( 1.248 -2.886 -9.890) 10.378 21.212 ( 3.980 2.730 0.048) 4.826 21.319 ( 1.309 -0.388 -1.376) 1.938 21.401 ( -1.166 3.496 0.615) 3.736 21.628 ( -1.490 -3.117 -8.917) 9.563 22.258 ( -0.461 15.389 -1.492) 15.468 22.528 ( 1.004 14.857 -13.276) 19.950 22.816 ( -0.037 -3.061 1.550) 3.431 23.034 ( -1.028 -3.290 -2.714) 4.387 24.305 ( -0.208 1.644 1.422) 2.184 24.408 ( 0.006 -2.309 0.757) 2.430 24.509 ( 2.397 1.960 -3.792) 4.896 24.543 ( -0.872 2.185 -5.202) 5.709 25.250 ( -1.872 9.564 1.330) 9.836 25.337 ( 0.587 6.953 -0.008) 6.977 25.881 ( -4.839 -14.186 5.603) 16.002 25.927 ( 0.482 -11.985 0.594) 12.010 26.811 ( -0.632 0.657 6.821) 6.881 27.008 ( -4.771 -11.185 9.374) 15.354 27.215 ( -1.141 0.096 3.718) 3.891 27.299 ( -0.812 -1.585 1.382) 2.254 27.814 ( -3.560 5.181 3.527) 7.208 27.997 ( -1.258 -2.550 2.244) 3.622 28.104 ( 0.232 2.903 -0.732) 3.003 28.216 ( 1.720 0.111 -3.153) 3.593 28.886 ( -4.064 2.728 2.752) 5.615 28.920 ( 1.364 -1.723 1.838) 2.865 28.937 ( 20.872 -9.708 11.283) 25.636 29.010 ( 3.475 -1.453 -1.088) 3.920 29.185 ( 2.880 2.207 -2.395) 4.347 29.327 ( -7.636 -3.028 -1.250) 8.309 29.428 ( -0.151 -0.597 5.094) 5.131 29.492 ( 5.044 -3.253 1.987) 6.323 30.711 ( -4.486 3.173 -2.730) 6.135 30.813 ( 2.112 2.847 -3.916) 5.282 30.960 ( -11.860 -7.348 5.839) 15.124 31.055 ( 5.981 -4.740 2.792) 8.127 31.792 ( -0.929 8.260 2.437) 8.662 32.179 ( -1.028 -5.062 -0.812) 5.229 32.343 ( -3.028 8.903 -11.083) 14.535 32.468 ( 1.061 -0.989 -3.890) 4.152 32.621 ( 0.624 3.831 1.839) 4.295 32.834 ( -0.349 -0.984 -3.947) 4.083 33.114 ( -3.086 12.662 -15.321) 20.114 33.201 ( -0.771 4.773 -5.302) 7.175 99.225 ( -0.324 1.084 0.175) 1.145 99.289 ( 0.382 -1.027 -2.018) 2.296 99.445 ( 0.327 1.742 1.190) 2.135 99.506 ( -3.614 -0.999 0.274) 3.760 102.282 ( -0.569 3.225 0.744) 3.358 102.412 ( -1.797 1.473 -1.523) 2.778 102.535 ( -6.402 -6.671 6.846) 11.505 102.647 ( 0.988 -3.863 0.304) 3.999 107.323 ( 0.482 0.468 0.486) 0.829 107.344 ( 0.104 -0.332 0.627) 0.717 107.431 ( -0.034 3.531 -4.373) 5.621 107.459 ( -0.593 0.505 -1.807) 1.968 109.311 ( 0.157 0.028 -0.086) 0.181 109.314 ( -0.006 -0.044 -0.297) 0.300 109.340 ( -0.413 0.302 0.490) 0.708 109.358 ( 1.966 -0.664 0.435) 2.120 ======================= Grid point 66 (30/78) ======================= q-point: ( 0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 12.000 25.737 22.639) 36.317 1.741 ( 15.558 29.550 25.411) 41.964 2.327 ( 14.543 15.346 19.240) 28.586 2.679 ( 15.152 3.524 11.184) 19.159 3.069 ( 2.560 -2.247 -9.984) 10.549 3.219 ( 1.130 -7.721 -0.357) 7.811 3.347 ( 8.307 -9.203 -2.729) 12.694 3.503 ( 13.129 0.006 -7.354) 15.048 3.953 ( -10.039 -4.631 -11.930) 16.265 4.011 ( -6.993 1.287 -7.723) 10.497 4.212 ( -3.647 -8.392 -9.180) 12.961 4.390 ( -2.887 2.349 0.944) 3.839 4.427 ( 2.734 -3.726 -5.498) 7.183 4.647 ( -0.560 -7.454 -6.267) 9.755 4.823 ( -2.139 2.000 4.834) 5.652 4.926 ( -1.438 -4.057 6.616) 7.893 5.051 ( 0.106 -2.413 0.634) 2.497 5.125 ( 8.056 5.650 1.461) 9.948 5.354 ( 1.078 -3.118 5.996) 6.844 5.371 ( 9.634 3.338 3.816) 10.887 5.522 ( 5.857 5.148 -12.723) 14.922 5.634 ( 6.964 7.344 -5.468) 11.504 5.679 ( 1.780 7.317 -17.188) 18.765 5.724 ( -2.661 4.209 3.959) 6.362 5.884 ( 2.938 -1.521 -2.416) 4.097 5.995 ( -0.840 -0.927 -0.897) 1.539 6.062 ( 2.232 1.216 2.905) 3.860 6.086 ( -2.612 5.127 3.941) 6.975 6.156 ( 5.061 -1.613 5.106) 7.368 6.256 ( -0.617 -2.877 -0.312) 2.959 6.342 ( 0.600 -5.890 -3.093) 6.680 6.528 ( -2.557 -7.159 3.481) 8.361 6.601 ( 3.909 2.246 -0.526) 4.539 6.663 ( -2.781 -9.400 -0.692) 9.828 6.849 ( 5.055 -1.953 -7.013) 8.863 6.929 ( -3.850 -8.017 -0.942) 8.944 7.008 ( 2.723 -6.236 -4.158) 7.974 7.205 ( -2.974 -0.247 0.004) 2.984 7.312 ( -2.747 -0.454 0.609) 2.850 7.375 ( 0.482 -2.996 7.621) 8.203 7.415 ( -0.809 3.740 -0.022) 3.826 7.509 ( -4.798 2.209 -1.823) 5.588 7.646 ( -6.602 -5.548 6.608) 10.864 7.718 ( -0.035 2.075 -7.765) 8.037 7.772 ( -0.518 -5.526 -0.822) 5.611 7.889 ( 1.235 2.232 -0.526) 2.605 7.983 ( 2.502 3.337 2.140) 4.688 8.129 ( -0.791 1.647 8.257) 8.457 8.256 ( -7.153 -3.421 4.378) 9.057 8.276 ( -0.291 3.484 1.516) 3.810 8.399 ( -0.213 4.881 -1.293) 5.053 8.440 ( -7.057 -0.476 5.221) 8.791 8.515 ( 1.864 -0.740 2.663) 3.334 8.716 ( -7.354 -0.825 4.024) 8.423 8.761 ( -4.297 0.881 -3.915) 5.880 8.975 ( -0.960 -3.737 3.062) 4.926 9.032 ( -2.662 1.276 4.452) 5.342 9.080 ( 2.153 3.044 0.574) 3.772 9.170 ( -0.788 6.440 4.572) 7.937 9.244 ( 1.276 -3.191 -0.569) 3.483 9.320 ( 1.494 -1.982 -2.343) 3.414 9.381 ( -2.627 0.529 -0.031) 2.680 9.620 ( -4.171 2.051 4.815) 6.693 9.704 ( 0.760 5.392 -3.733) 6.602 9.729 ( 1.316 3.469 3.328) 4.984 9.904 ( -4.250 2.667 -5.833) 7.694 9.962 ( -3.164 -3.688 -1.915) 5.223 10.082 ( -2.160 -6.676 -0.175) 7.019 10.133 ( -0.778 3.317 -0.860) 3.514 10.247 ( 1.261 -3.842 2.967) 5.015 10.380 ( 7.201 -0.300 -2.564) 7.650 10.403 ( 3.666 -1.824 3.127) 5.152 10.467 ( -2.716 -3.289 1.197) 4.430 10.596 ( 0.948 7.210 2.080) 7.563 10.757 ( -4.163 6.137 -7.697) 10.688 10.762 ( 5.779 -0.566 -7.368) 9.381 10.867 ( -7.803 3.725 4.372) 9.689 10.996 ( 2.625 2.497 -5.006) 6.179 11.053 ( 1.141 -3.201 1.081) 3.566 11.186 ( 2.807 -3.424 5.449) 7.021 11.379 ( -1.066 -6.811 -0.157) 6.896 11.453 ( -3.208 -7.362 -4.205) 9.065 11.546 ( 2.129 4.848 0.539) 5.322 11.767 ( 3.318 6.897 5.481) 9.413 11.872 ( 0.635 3.031 0.724) 3.181 12.066 ( -2.411 4.834 -5.051) 7.395 12.126 ( 12.362 -2.690 -3.891) 13.236 12.186 ( -1.755 -0.586 5.817) 6.104 12.215 ( -1.711 1.306 -1.309) 2.519 12.304 ( 3.889 2.090 -1.295) 4.601 12.467 ( -2.328 -3.506 -3.097) 5.225 12.639 ( -0.491 -2.741 -5.724) 6.365 12.794 ( -3.117 -3.025 3.320) 5.467 12.924 ( 2.551 -2.944 0.347) 3.911 12.941 ( -2.308 -2.286 0.969) 3.390 12.991 ( 0.625 -0.014 2.096) 2.187 13.099 ( -3.050 4.851 -1.389) 5.896 13.148 ( -1.555 -0.271 -3.165) 3.536 13.251 ( 0.694 1.155 -2.306) 2.671 13.269 ( -1.647 1.945 -1.510) 2.962 13.375 ( 3.792 0.623 2.222) 4.439 13.472 ( 2.972 -2.940 4.426) 6.089 13.557 ( -3.880 -0.239 3.047) 4.940 13.674 ( -4.096 -5.260 3.553) 7.554 13.859 ( -3.033 5.262 3.308) 6.916 14.140 ( -2.397 -4.194 -2.728) 5.548 14.187 ( 7.569 3.245 -1.206) 8.323 14.311 ( 8.242 5.646 2.560) 10.313 14.519 ( -7.716 7.643 -8.935) 14.064 14.900 ( 3.374 -2.564 -8.853) 9.815 15.033 ( -2.523 -0.107 0.094) 2.527 15.067 ( 2.155 -3.218 3.753) 5.393 15.302 ( -1.510 4.843 6.146) 7.970 15.370 ( -3.185 0.811 0.352) 3.306 15.502 ( 0.902 -5.312 0.590) 5.421 15.674 ( -7.638 -7.569 7.147) 12.911 15.752 ( 1.586 -0.584 -1.127) 2.031 15.806 ( 4.461 -0.395 -4.988) 6.704 15.936 ( 2.619 -1.697 1.943) 3.676 15.953 ( 2.494 1.029 2.230) 3.500 16.180 ( -0.601 1.518 -1.632) 2.308 16.221 ( -0.840 3.505 1.062) 3.758 16.277 ( 11.197 -4.901 -9.916) 15.740 16.388 ( 5.346 -0.144 -1.214) 5.485 16.503 ( -1.430 -0.495 5.814) 6.007 16.553 ( -0.578 -3.288 0.081) 3.340 16.723 ( -2.712 2.180 3.763) 5.125 16.949 ( -1.769 -3.068 -2.387) 4.271 17.204 ( -1.149 3.239 1.913) 3.933 17.275 ( -1.435 0.098 2.921) 3.256 17.287 ( -1.650 0.456 1.639) 2.369 17.400 ( 3.723 -1.995 1.488) 4.478 17.492 ( -3.879 0.188 2.722) 4.743 17.796 ( -4.864 -6.893 -4.584) 9.601 19.533 ( -3.963 -0.561 1.776) 4.379 19.560 ( -0.954 -1.533 1.882) 2.608 19.729 ( -2.139 9.146 -5.015) 10.648 20.060 ( 0.602 -4.911 -8.734) 10.038 21.279 ( -1.476 2.542 -3.853) 4.847 21.312 ( 3.690 0.329 0.795) 3.789 21.425 ( 1.632 -0.172 2.408) 2.914 21.500 ( -3.631 -0.778 -6.676) 7.639 22.230 ( -1.753 12.570 0.987) 12.730 22.393 ( -4.651 13.612 -6.245) 15.681 22.799 ( -3.170 -4.891 2.849) 6.487 22.960 ( -3.972 -4.323 -3.326) 6.748 24.359 ( 4.049 1.559 1.482) 4.585 24.438 ( 2.574 -1.382 0.617) 2.986 24.546 ( 3.847 1.726 -2.498) 4.901 24.569 ( 6.617 0.925 -4.835) 8.247 25.211 ( -3.379 8.640 1.483) 9.395 25.341 ( -0.314 5.581 0.839) 5.653 25.774 ( -9.236 -9.735 5.050) 14.338 25.882 ( -5.415 -10.737 1.309) 12.096 26.833 ( -2.924 0.220 6.920) 7.516 26.923 ( -7.158 -3.057 6.870) 10.381 27.200 ( -3.000 0.594 3.123) 4.371 27.255 ( -3.896 -0.785 0.277) 3.984 27.828 ( 0.080 4.969 3.966) 6.358 28.001 ( -1.112 -2.729 3.488) 4.566 28.109 ( 1.059 2.879 -1.959) 3.639 28.246 ( 3.838 -0.271 -3.591) 5.264 28.746 ( -9.148 2.873 -0.471) 9.600 28.836 ( -6.130 0.470 -1.107) 6.247 29.031 ( -3.039 -0.382 2.666) 4.061 29.167 ( -3.468 -4.583 -3.381) 6.668 29.298 ( 17.246 0.735 0.723) 17.277 29.426 ( 8.465 -1.943 0.114) 8.686 29.613 ( 10.691 -1.991 3.149) 11.322 29.832 ( 21.806 -18.339 1.917) 28.557 30.618 ( -2.076 2.906 -2.197) 4.193 30.759 ( -1.093 -1.427 -2.017) 2.702 31.041 ( 14.617 1.081 -3.187) 14.999 31.223 ( 6.955 -6.110 5.970) 11.015 31.802 ( -0.330 9.380 3.013) 9.858 32.099 ( -1.981 9.813 -7.206) 12.334 32.280 ( 1.480 -0.024 -2.449) 2.861 32.434 ( -0.480 -1.253 -4.928) 5.107 32.651 ( 0.611 3.594 2.359) 4.343 32.762 ( -2.281 5.521 -5.110) 7.861 32.956 ( -5.747 1.226 -0.607) 5.908 33.083 ( -6.534 0.945 -4.388) 7.927 99.224 ( 0.108 0.970 0.108) 0.982 99.281 ( 0.409 -0.964 -1.686) 1.985 99.433 ( -3.483 1.561 1.455) 4.085 99.453 ( -0.896 0.714 1.769) 2.108 102.274 ( -1.067 2.377 1.244) 2.887 102.341 ( -3.664 0.483 0.679) 3.757 102.503 ( -1.778 0.459 3.462) 3.919 102.657 ( -0.709 -4.038 1.085) 4.241 107.343 ( 0.820 0.417 0.471) 1.034 107.346 ( -0.088 0.528 0.176) 0.564 107.412 ( 0.925 1.296 -1.310) 2.062 107.427 ( -0.931 0.306 -2.007) 2.234 109.312 ( -0.020 -0.007 -0.354) 0.355 109.314 ( 0.202 -0.150 -0.085) 0.266 109.342 ( 0.276 0.798 0.337) 0.909 109.394 ( 1.434 -1.504 -0.378) 2.112 ======================= Grid point 67 (31/78) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 19.600 18.229 16.676) 31.537 2.274 ( 17.121 19.991 25.713) 36.796 2.790 ( 21.957 -9.713 0.064) 24.009 2.947 ( 13.365 0.776 -15.663) 20.605 3.273 ( 14.164 1.615 4.268) 14.881 3.411 ( 14.381 -10.222 8.064) 19.399 3.557 ( 8.051 -4.291 12.952) 15.842 3.683 ( 17.540 10.997 -16.807) 26.665 3.734 ( -1.596 2.629 -5.218) 6.057 3.848 ( -3.087 -6.149 -2.463) 7.308 4.059 ( -2.462 -4.222 -6.694) 8.289 4.340 ( 0.690 -3.993 -4.628) 6.151 4.429 ( -0.526 -1.732 -2.082) 2.759 4.620 ( 3.059 0.293 -4.153) 5.166 4.731 ( -7.091 -4.546 2.468) 8.777 4.945 ( -1.307 3.908 2.716) 4.936 5.062 ( -1.145 2.212 2.663) 3.646 5.233 ( 0.142 2.220 3.541) 4.182 5.380 ( -0.739 2.696 4.439) 5.246 5.499 ( -2.937 8.081 -9.648) 12.923 5.586 ( 7.801 5.178 -18.258) 20.518 5.631 ( 7.883 6.454 -2.722) 10.545 5.681 ( 3.830 10.214 -4.296) 11.723 5.763 ( 4.355 -0.126 4.026) 5.932 5.888 ( -1.639 0.821 -2.614) 3.193 5.935 ( -6.713 1.879 1.417) 7.113 6.020 ( -5.681 4.807 -2.478) 7.844 6.109 ( 7.679 4.324 1.930) 9.021 6.193 ( -0.052 -1.934 6.998) 7.260 6.300 ( 0.347 -2.129 -2.718) 3.470 6.419 ( 0.909 -12.796 1.650) 12.934 6.495 ( -2.286 -13.211 -1.691) 13.514 6.634 ( 2.100 -12.887 5.622) 14.216 6.694 ( 4.741 -0.403 0.828) 4.830 6.852 ( -6.251 -1.801 5.223) 8.343 6.942 ( 10.232 -5.909 -6.139) 13.315 7.008 ( -0.059 -5.452 -3.015) 6.231 7.115 ( -2.912 4.322 -3.607) 6.338 7.219 ( -6.421 -1.996 -0.539) 6.746 7.327 ( -6.838 0.601 2.725) 7.386 7.431 ( -1.489 3.944 2.682) 4.996 7.455 ( -5.877 -3.551 2.209) 7.213 7.604 ( -0.402 -1.392 -3.811) 4.077 7.661 ( -0.638 -0.932 3.969) 4.127 7.761 ( 0.102 -1.264 -3.265) 3.502 7.919 ( 1.136 -5.579 -2.459) 6.202 7.996 ( -3.294 -3.675 6.719) 8.337 8.091 ( -6.545 3.737 5.057) 9.076 8.256 ( -0.801 -0.359 6.587) 6.646 8.278 ( 0.614 -0.717 -0.603) 1.120 8.342 ( -4.215 2.596 0.397) 4.967 8.383 ( -3.327 5.012 0.508) 6.037 8.546 ( -9.214 -3.060 1.888) 9.891 8.564 ( 2.264 -1.808 1.335) 3.190 8.680 ( -3.067 3.838 2.523) 5.523 9.015 ( -1.634 1.122 4.261) 4.699 9.027 ( 1.686 -7.157 -3.450) 8.122 9.123 ( 1.124 10.516 2.670) 10.908 9.184 ( 2.023 -0.151 0.259) 2.045 9.265 ( -0.314 -7.180 0.895) 7.242 9.318 ( 0.980 5.095 -0.268) 5.195 9.374 ( 2.172 -1.572 -0.008) 2.681 9.556 ( -12.113 3.554 -4.744) 13.486 9.580 ( -3.345 2.422 2.319) 4.736 9.773 ( -0.035 -3.136 3.793) 4.921 9.804 ( 0.974 2.587 0.877) 2.900 9.933 ( -1.344 2.666 -3.943) 4.946 10.022 ( -0.972 0.404 -2.182) 2.423 10.132 ( 1.321 -0.212 -1.272) 1.846 10.270 ( -2.930 -3.019 2.591) 4.941 10.391 ( -3.798 1.413 0.622) 4.100 10.435 ( 4.507 0.400 -4.232) 6.196 10.440 ( -4.145 -1.269 -3.637) 5.658 10.587 ( -4.130 5.847 -2.864) 7.710 10.643 ( 3.175 5.386 -2.640) 6.787 10.805 ( 2.052 0.166 -2.265) 3.060 10.894 ( 4.129 -3.237 3.887) 6.530 10.991 ( 0.358 1.648 -3.283) 3.691 11.065 ( 0.219 -0.853 1.051) 1.371 11.193 ( -3.903 -0.014 1.606) 4.221 11.387 ( 1.440 -4.840 -2.952) 5.849 11.412 ( 2.868 -4.842 0.100) 5.629 11.620 ( 2.753 5.740 -0.216) 6.370 11.847 ( 2.421 7.348 -0.304) 7.742 11.898 ( -1.600 1.483 5.461) 5.880 11.959 ( -5.670 1.842 0.333) 5.971 12.158 ( -0.262 -3.405 -2.867) 4.459 12.203 ( -1.192 -3.552 3.728) 5.285 12.308 ( 5.067 -2.578 -2.658) 6.276 12.396 ( 5.551 4.605 1.592) 7.386 12.419 ( -0.332 -5.562 -1.427) 5.752 12.573 ( 0.007 -2.910 -2.656) 3.940 12.731 ( -5.184 -4.769 -0.269) 7.049 12.843 ( -6.553 -4.403 2.972) 8.435 12.930 ( -3.946 1.057 -4.462) 6.050 12.966 ( -3.123 1.615 -2.107) 4.099 13.036 ( 2.997 3.837 -1.261) 5.029 13.135 ( 0.602 -0.577 -5.195) 5.261 13.195 ( -0.808 1.685 -1.191) 2.216 13.333 ( 7.488 0.687 0.719) 7.554 13.465 ( -0.109 0.690 3.819) 3.882 13.522 ( -1.347 2.058 2.975) 3.860 13.644 ( -0.409 -1.913 0.672) 2.068 13.653 ( 6.615 -2.832 7.580) 10.451 13.918 ( 3.408 -0.870 7.349) 8.147 14.069 ( -3.468 -4.476 0.488) 5.683 14.260 ( -0.709 5.076 -7.037) 8.706 14.293 ( -2.770 3.593 -4.447) 6.353 14.521 ( 9.720 9.213 2.792) 13.680 14.889 ( 2.945 -2.885 -7.389) 8.461 14.999 ( -0.543 1.958 -0.363) 2.064 15.124 ( -0.121 -0.806 1.937) 2.102 15.272 ( -3.323 -0.564 -0.640) 3.431 15.334 ( -0.916 1.289 4.116) 4.409 15.448 ( -4.796 -4.986 1.607) 7.102 15.605 ( -6.871 -6.017 6.483) 11.200 15.747 ( 0.791 5.522 -5.347) 7.727 15.835 ( 1.100 0.214 -0.001) 1.121 15.969 ( -0.351 -0.539 6.363) 6.395 16.060 ( 1.059 -3.518 1.289) 3.893 16.169 ( -0.287 2.912 1.054) 3.110 16.216 ( 3.800 4.603 -2.352) 6.415 16.415 ( 6.581 -3.600 -5.762) 9.459 16.422 ( 3.130 1.785 -3.658) 5.135 16.541 ( 0.987 -3.531 0.817) 3.757 16.603 ( 8.885 -1.901 -7.011) 11.476 16.712 ( -1.000 2.482 2.945) 3.980 16.878 ( -2.738 -0.666 -2.321) 3.651 17.156 ( -4.948 3.850 0.936) 6.338 17.236 ( -3.554 1.125 -2.082) 4.270 17.261 ( -3.656 0.866 3.671) 5.253 17.442 ( -2.074 0.672 4.882) 5.347 17.539 ( 5.282 -8.077 2.013) 9.858 17.670 ( -3.897 -5.534 -1.834) 7.012 19.463 ( -4.190 0.797 1.586) 4.550 19.521 ( -3.053 -0.262 0.111) 3.067 19.739 ( 3.141 3.361 1.126) 4.736 19.990 ( -1.426 -5.269 -6.544) 8.522 21.227 ( 0.144 1.730 -3.267) 3.699 21.357 ( 0.509 -2.706 -3.181) 4.207 21.402 ( -1.681 2.169 -0.405) 2.774 21.475 ( 0.639 -1.015 2.119) 2.435 22.203 ( -2.800 9.787 1.039) 10.232 22.274 ( -3.509 13.242 -1.543) 13.786 22.747 ( -4.445 -6.410 2.353) 8.148 22.848 ( -4.618 -5.277 -2.386) 7.407 24.462 ( 4.964 1.283 1.297) 5.289 24.508 ( 3.951 -0.565 0.310) 4.003 24.607 ( 4.107 2.183 -1.963) 5.048 24.669 ( 7.442 -0.468 -4.206) 8.561 25.156 ( -3.242 7.073 1.296) 7.888 25.341 ( -0.562 3.568 1.144) 3.788 25.633 ( -8.782 -6.560 2.530) 11.250 25.770 ( -7.168 -8.288 1.800) 11.105 26.824 ( -3.335 -0.169 5.449) 6.391 26.867 ( -3.962 -1.129 3.899) 5.672 27.160 ( -3.898 0.091 2.972) 4.902 27.170 ( -4.536 0.031 -0.184) 4.540 27.872 ( 0.165 3.369 5.866) 6.767 27.999 ( -2.316 -2.088 3.418) 4.627 28.079 ( -2.082 2.468 -3.189) 4.538 28.252 ( -0.450 -3.374 -5.953) 6.857 28.575 ( -6.074 4.975 -1.437) 7.982 28.724 ( -4.975 0.074 -0.278) 4.984 28.975 ( -4.757 -0.130 2.646) 5.445 29.082 ( -1.476 -3.059 -4.352) 5.520 29.607 ( 11.664 0.538 1.057) 11.724 29.662 ( 16.225 -1.437 2.433) 16.469 29.882 ( 14.495 1.004 0.555) 14.540 30.079 ( 7.087 -6.770 -3.510) 10.410 30.614 ( 2.778 3.494 -0.366) 4.479 30.797 ( 6.111 -3.133 -2.216) 7.216 31.313 ( 15.619 -4.258 -5.819) 17.203 31.397 ( 5.198 -6.461 6.517) 10.547 31.839 ( 1.401 9.616 3.935) 10.484 32.035 ( -0.083 9.128 -3.493) 9.774 32.296 ( 0.601 -3.209 -0.307) 3.280 32.376 ( -1.426 -1.108 -4.376) 4.734 32.680 ( -0.541 4.497 -1.143) 4.672 32.690 ( -0.335 2.570 0.098) 2.593 32.844 ( -6.954 -0.985 0.384) 7.034 32.929 ( -5.718 -2.393 -0.718) 6.240 99.230 ( 0.424 0.763 0.138) 0.884 99.276 ( 0.378 -0.898 -1.118) 1.483 99.396 ( -1.817 1.603 1.184) 2.697 99.445 ( -1.604 -0.185 1.833) 2.442 102.265 ( -1.000 1.325 1.558) 2.276 102.298 ( -1.672 0.609 0.786) 1.946 102.502 ( -0.869 0.956 1.828) 2.238 102.632 ( -2.819 -3.440 0.834) 4.525 107.339 ( 0.104 0.600 -0.526) 0.804 107.366 ( 0.471 -0.434 0.160) 0.660 107.402 ( 0.090 0.926 -0.883) 1.282 107.429 ( 0.985 0.003 0.182) 1.002 109.309 ( 0.103 0.086 -0.324) 0.350 109.318 ( 0.301 -0.371 -0.089) 0.486 109.353 ( 0.573 1.088 0.140) 1.237 109.409 ( 0.704 -1.168 -0.516) 1.458 ======================= Grid point 68 (32/78) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 23.284 7.041 12.680) 27.431 2.800 ( 18.223 12.227 17.125) 27.836 2.998 ( 5.499 1.658 -8.112) 9.939 3.175 ( 15.794 -9.910 -0.914) 18.668 3.455 ( 7.255 -0.937 -2.308) 7.671 3.611 ( 7.102 2.218 -4.764) 8.834 3.731 ( 3.475 -3.701 -8.767) 10.131 3.797 ( 15.048 1.551 -3.688) 15.571 3.914 ( 9.057 -5.117 3.334) 10.924 3.987 ( 13.167 -3.597 -6.969) 15.325 4.170 ( 14.344 -0.144 0.499) 14.353 4.299 ( 1.368 -0.789 -9.128) 9.264 4.432 ( 4.686 0.864 -0.490) 4.790 4.655 ( -3.865 -2.639 7.512) 8.851 4.748 ( 9.378 1.094 4.665) 10.531 4.922 ( -2.826 8.593 4.994) 10.333 5.065 ( -1.177 2.915 3.710) 4.863 5.241 ( -4.853 3.314 2.563) 6.411 5.289 ( -5.987 4.794 -5.313) 9.330 5.365 ( -3.913 4.247 1.033) 5.866 5.483 ( -3.403 -6.040 -6.042) 9.196 5.616 ( -7.165 1.841 -3.579) 8.218 5.727 ( -5.521 2.538 4.810) 7.750 5.786 ( 0.946 9.202 -1.769) 9.418 5.853 ( -2.712 2.866 1.884) 4.373 5.953 ( 12.266 10.753 -7.147) 17.809 6.050 ( 3.871 6.140 4.418) 8.498 6.173 ( -0.971 -3.240 -1.566) 3.727 6.267 ( 3.693 1.399 -2.354) 4.598 6.286 ( -1.390 -5.449 -2.907) 6.330 6.368 ( 0.697 -8.087 -0.970) 8.174 6.455 ( 3.167 -9.796 -4.830) 11.372 6.703 ( -4.716 -7.284 4.509) 9.778 6.729 ( -8.527 2.402 4.877) 10.113 6.820 ( 2.773 -11.799 4.792) 13.034 6.943 ( -4.205 -0.353 -0.394) 4.238 7.024 ( -1.562 0.822 -3.440) 3.867 7.090 ( -1.143 -1.886 -2.639) 3.440 7.102 ( 1.272 -3.865 -5.380) 6.745 7.194 ( -10.446 -5.574 4.494) 12.665 7.372 ( 0.238 1.511 6.816) 6.986 7.427 ( -1.466 1.285 -2.608) 3.256 7.533 ( -2.246 3.796 -0.076) 4.412 7.674 ( -3.266 2.045 -4.790) 6.148 7.721 ( -0.883 -0.867 -0.226) 1.258 7.874 ( -2.579 -2.285 0.041) 3.446 7.962 ( -0.333 -2.850 0.289) 2.884 8.097 ( 0.491 -5.328 4.744) 7.151 8.190 ( -2.471 -1.739 -3.147) 4.362 8.294 ( -5.133 5.245 4.998) 8.879 8.318 ( 1.505 0.132 -3.819) 4.107 8.345 ( -3.083 -1.275 3.132) 4.576 8.464 ( 0.133 0.081 4.619) 4.622 8.602 ( 0.476 -0.843 0.998) 1.391 8.740 ( 5.453 -1.124 4.838) 7.376 8.977 ( -1.404 -5.093 -2.889) 6.021 9.006 ( -4.067 5.971 3.246) 7.920 9.122 ( -5.150 1.251 1.106) 5.414 9.198 ( 0.282 -2.874 -4.099) 5.014 9.286 ( -8.943 3.054 -0.670) 9.474 9.314 ( 5.053 4.899 -0.875) 7.092 9.385 ( 2.675 0.249 4.780) 5.483 9.438 ( 3.951 -4.016 -0.447) 5.652 9.562 ( -1.222 0.762 1.745) 2.262 9.771 ( -2.777 3.943 -3.495) 5.956 9.850 ( 2.411 -4.595 2.572) 5.792 9.873 ( -2.856 0.193 -0.848) 2.986 9.976 ( -1.978 6.375 -1.070) 6.760 10.112 ( -3.553 -1.040 -1.864) 4.145 10.188 ( -3.325 0.750 0.538) 3.451 10.343 ( 0.731 -6.029 -2.476) 6.559 10.362 ( -2.442 6.429 1.201) 6.981 10.482 ( 2.591 -1.501 -3.761) 4.807 10.543 ( 3.061 3.806 -2.215) 5.363 10.667 ( 2.759 3.816 -4.922) 6.811 10.784 ( -1.553 -3.210 -2.321) 4.255 10.925 ( -0.985 -0.319 -1.899) 2.162 11.054 ( 1.158 -6.530 3.952) 7.720 11.081 ( 3.564 5.895 1.904) 7.147 11.150 ( -2.357 1.423 1.226) 3.014 11.390 ( 0.719 -3.713 -1.284) 3.994 11.473 ( 2.727 1.908 -0.879) 3.442 11.661 ( 1.193 1.634 2.849) 3.494 11.812 ( -3.931 3.606 -3.659) 6.469 11.891 ( -3.612 -0.994 5.757) 6.869 11.910 ( -0.590 5.977 2.507) 6.508 12.067 ( -6.029 -1.719 -3.896) 7.381 12.177 ( -5.654 1.061 0.728) 5.799 12.298 ( -2.044 -6.417 0.841) 6.788 12.414 ( -0.867 -1.525 -1.334) 2.204 12.496 ( 1.180 -4.960 1.070) 5.210 12.623 ( 3.387 -3.701 2.556) 5.630 12.686 ( 3.881 -2.184 -5.552) 7.117 12.729 ( -3.332 -1.503 1.571) 3.978 12.869 ( -0.920 -4.611 -4.796) 6.717 12.893 ( 0.150 -0.669 0.257) 0.732 13.088 ( 2.287 3.208 -4.715) 6.145 13.098 ( 2.189 3.350 -5.567) 6.856 13.210 ( 2.406 4.239 -1.392) 5.069 13.394 ( -4.672 5.431 1.949) 7.424 13.465 ( 0.305 -2.722 3.112) 4.146 13.567 ( 2.989 -1.650 -0.888) 3.528 13.644 ( 1.329 3.176 -0.007) 3.443 13.815 ( 2.540 -2.305 7.087) 7.873 14.020 ( 0.507 -2.444 6.165) 6.651 14.040 ( -1.942 -2.547 5.342) 6.229 14.240 ( 5.973 3.708 -0.486) 7.047 14.284 ( 2.701 0.864 -2.780) 3.971 14.682 ( 3.713 5.431 2.494) 7.036 14.872 ( 0.837 -2.949 -8.408) 8.949 15.004 ( 0.701 3.351 0.463) 3.455 15.107 ( -1.031 2.423 2.574) 3.683 15.205 ( -2.393 -2.171 -2.740) 4.236 15.379 ( 0.997 -1.300 3.550) 3.909 15.397 ( -2.455 -3.084 2.877) 4.880 15.515 ( -4.279 -4.186 -0.339) 5.996 15.702 ( -2.277 5.920 -1.644) 6.552 15.829 ( 0.148 1.012 -3.599) 3.742 16.030 ( 0.783 -1.106 6.313) 6.457 16.055 ( -0.940 -2.296 1.534) 2.917 16.164 ( -1.705 2.275 3.714) 4.677 16.291 ( 3.784 0.048 -3.051) 4.861 16.406 ( 1.163 3.016 -0.983) 3.378 16.493 ( 4.845 -2.679 -9.734) 11.199 16.571 ( 1.541 -1.107 1.774) 2.597 16.699 ( 6.186 -2.516 -7.140) 9.776 16.746 ( 2.327 3.992 2.513) 5.260 16.853 ( 2.547 1.950 -2.720) 4.206 17.048 ( -4.692 2.917 -1.136) 5.640 17.111 ( -7.079 -0.056 -1.340) 7.205 17.227 ( -2.898 2.482 2.970) 4.835 17.449 ( -1.963 -1.339 5.103) 5.629 17.586 ( -1.584 -3.003 1.367) 3.660 17.669 ( 2.649 -8.399 1.116) 8.877 19.400 ( -3.719 1.651 1.032) 4.197 19.480 ( -1.444 -0.992 0.793) 1.923 19.820 ( 2.968 -0.417 2.836) 4.126 19.900 ( -2.428 -2.870 -5.146) 6.373 21.234 ( 2.303 0.407 -1.404) 2.727 21.312 ( -0.805 -1.713 -2.492) 3.129 21.398 ( -0.444 1.553 0.673) 1.750 21.485 ( -1.110 -2.330 1.507) 2.988 22.132 ( -3.712 14.284 -0.536) 14.768 22.238 ( -1.471 9.155 1.434) 9.383 22.677 ( -4.246 -7.949 1.410) 9.122 22.757 ( -3.353 -5.839 -0.961) 6.802 24.554 ( 3.309 0.846 1.075) 3.581 24.583 ( 3.405 -0.495 0.306) 3.454 24.666 ( 3.613 3.080 -1.480) 4.973 24.770 ( 6.275 -1.170 -3.565) 7.311 25.117 ( -1.810 5.150 1.255) 5.601 25.339 ( -1.389 0.625 2.306) 2.764 25.491 ( -6.269 -2.902 -0.888) 6.965 25.650 ( -6.554 -5.395 1.317) 8.590 26.793 ( -3.201 -0.126 1.773) 3.661 26.824 ( -2.582 -0.939 0.445) 2.784 27.084 ( -3.759 0.897 0.290) 3.875 27.116 ( -3.623 -0.365 3.037) 4.741 27.913 ( -2.981 0.988 4.407) 5.411 27.961 ( -1.046 -1.120 -0.863) 1.759 28.021 ( -2.028 1.355 1.599) 2.916 28.142 ( -3.377 -2.962 -6.286) 7.726 28.508 ( -1.997 3.298 1.261) 4.056 28.634 ( -5.172 -0.196 1.712) 5.452 28.908 ( -3.682 1.322 1.254) 4.108 29.031 ( -0.366 -2.496 -3.977) 4.710 29.835 ( 10.640 1.727 1.465) 10.878 29.956 ( 11.141 -3.276 1.679) 11.733 30.112 ( 7.654 0.991 -3.077) 8.308 30.151 ( 7.560 0.703 -3.007) 8.167 30.704 ( 5.549 3.954 1.041) 6.893 30.913 ( 7.117 -3.697 -2.296) 8.342 31.497 ( 7.304 -4.468 -3.155) 9.125 31.526 ( 3.910 -5.303 3.811) 7.612 31.927 ( 4.082 7.949 4.140) 9.849 32.026 ( 0.659 6.022 -0.529) 6.081 32.283 ( -2.407 -2.351 0.502) 3.402 32.305 ( -1.989 -1.583 -3.619) 4.422 32.638 ( -1.594 -0.084 -0.759) 1.768 32.700 ( -5.597 -1.520 -1.409) 5.968 32.736 ( 1.419 3.345 2.206) 4.251 32.862 ( -2.203 -1.798 0.752) 2.941 99.241 ( 0.517 0.517 0.307) 0.793 99.276 ( 0.353 -0.841 -0.559) 1.070 99.376 ( -1.090 1.346 0.533) 1.813 99.424 ( -1.820 -0.429 1.071) 2.155 102.261 ( -0.667 0.454 1.236) 1.476 102.282 ( -1.020 0.448 1.166) 1.612 102.497 ( -0.785 0.529 0.678) 1.164 102.570 ( -3.495 -1.963 -0.338) 4.023 107.342 ( 0.432 0.244 -0.186) 0.530 107.364 ( -0.117 -0.606 -0.347) 0.708 107.414 ( 0.936 1.000 0.111) 1.374 107.446 ( 0.507 -0.190 0.206) 0.580 109.311 ( 0.307 0.121 -0.096) 0.344 109.324 ( 0.306 -0.477 0.025) 0.567 109.364 ( 0.482 1.139 0.045) 1.238 109.416 ( 0.484 -0.909 -0.535) 1.160 ======================= Grid point 69 (33/78) ======================= q-point: ( 0.40 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 9.945 6.347 -2.702) 12.103 3.125 ( 10.641 -3.064 4.306) 11.881 3.237 ( 13.671 6.614 11.823) 19.246 3.349 ( 3.991 -8.358 3.079) 9.761 3.520 ( -1.036 -3.527 -1.877) 4.128 3.724 ( 8.442 5.586 -0.172) 10.124 3.792 ( 10.845 -6.757 -7.142) 14.638 4.042 ( 7.448 6.358 -4.357) 10.718 4.078 ( 10.224 2.510 -6.120) 12.177 4.118 ( 7.227 -5.201 -6.432) 10.984 4.260 ( 6.841 -2.290 -10.905) 13.075 4.318 ( 3.619 13.311 -3.279) 14.178 4.524 ( 0.413 -2.675 1.284) 2.995 4.704 ( 4.237 -6.159 -1.120) 7.559 4.940 ( -4.587 0.070 8.078) 9.290 4.994 ( 5.409 9.343 5.291) 12.023 5.023 ( 4.498 4.283 -7.368) 9.637 5.091 ( -11.765 -3.173 2.437) 12.427 5.170 ( -4.946 -3.001 7.195) 9.233 5.364 ( -0.751 4.444 2.880) 5.349 5.461 ( -1.494 -8.116 0.980) 8.311 5.485 ( -0.409 2.073 4.956) 5.387 5.679 ( -2.446 3.394 2.070) 4.668 5.760 ( -5.961 6.133 4.253) 9.552 5.818 ( 3.518 6.631 -0.713) 7.540 5.987 ( -3.830 3.080 2.266) 5.412 6.083 ( -7.266 5.821 0.854) 9.349 6.140 ( -1.407 -4.358 -1.282) 4.756 6.223 ( 0.923 -5.158 -7.402) 9.070 6.320 ( 6.431 2.186 -6.252) 9.232 6.438 ( -1.927 -0.326 -0.879) 2.143 6.506 ( 8.421 -1.053 -3.922) 9.349 6.556 ( -8.204 -0.349 4.205) 9.225 6.669 ( 1.962 -8.251 -2.210) 8.765 6.817 ( -5.426 -8.420 1.700) 10.160 6.860 ( -4.979 -6.610 2.987) 8.798 6.923 ( -3.554 -1.517 -2.069) 4.383 7.002 ( -7.723 -6.597 0.604) 10.175 7.081 ( 2.653 1.288 -1.484) 3.301 7.185 ( 6.301 1.149 -1.807) 6.655 7.368 ( 0.604 3.532 -4.902) 6.072 7.442 ( -2.767 -1.677 6.388) 7.161 7.543 ( -1.183 4.053 2.029) 4.684 7.611 ( 2.812 7.911 -2.340) 8.716 7.659 ( -2.061 -2.773 0.800) 3.546 7.880 ( 3.632 -4.672 -9.150) 10.897 8.006 ( -0.697 2.356 1.886) 3.097 8.037 ( -7.210 -0.127 -0.857) 7.261 8.145 ( 0.285 -3.554 4.204) 5.513 8.232 ( -1.468 -1.294 -0.015) 1.957 8.318 ( -0.177 2.544 0.326) 2.571 8.359 ( 1.516 -0.046 2.504) 2.927 8.541 ( 3.301 0.286 1.839) 3.790 8.607 ( -0.801 -3.210 0.332) 3.325 8.829 ( -8.705 0.355 -1.090) 8.780 8.911 ( 2.686 -3.707 -1.894) 4.955 8.962 ( -0.248 4.153 4.773) 6.332 9.045 ( -3.068 2.135 4.488) 5.841 9.117 ( -3.836 2.895 -2.789) 5.556 9.216 ( 1.559 -4.188 -3.878) 5.917 9.403 ( 3.516 4.225 0.427) 5.513 9.476 ( 1.031 -6.167 3.722) 7.276 9.511 ( 4.533 2.640 -1.242) 5.390 9.552 ( -0.598 -2.909 0.803) 3.077 9.693 ( -2.014 8.164 1.564) 8.553 9.789 ( -3.718 -5.325 0.001) 6.495 9.815 ( -4.799 -0.593 -4.421) 6.552 9.941 ( -4.638 -1.912 0.267) 5.024 10.081 ( 4.737 0.156 -0.324) 4.751 10.193 ( 0.855 4.390 1.418) 4.692 10.332 ( -1.104 6.719 -1.890) 7.066 10.365 ( 1.172 -5.698 1.704) 6.061 10.501 ( 0.805 -0.626 3.163) 3.323 10.614 ( 4.138 6.098 -0.337) 7.377 10.710 ( 7.812 -0.598 -7.600) 10.915 10.737 ( -1.366 -3.390 -1.169) 3.837 10.889 ( -2.726 -0.531 2.936) 4.041 11.047 ( -1.554 -5.949 -0.101) 6.150 11.103 ( -1.784 0.390 -0.241) 1.842 11.203 ( 3.608 2.409 0.806) 4.412 11.391 ( 0.007 0.820 0.377) 0.903 11.498 ( -0.329 -0.660 -0.621) 0.964 11.639 ( -3.542 -0.753 -0.393) 3.643 11.745 ( -3.357 6.375 -2.698) 7.694 11.850 ( -4.426 4.547 3.982) 7.491 11.912 ( -0.052 -6.426 2.362) 6.846 11.965 ( -1.566 5.048 2.490) 5.843 12.032 ( -6.923 5.747 -0.894) 9.041 12.272 ( -1.009 -6.982 -1.016) 7.128 12.361 ( -2.152 -3.711 -2.376) 4.904 12.466 ( -3.418 -2.480 0.317) 4.235 12.655 ( 1.923 -5.162 1.245) 5.647 12.746 ( 4.718 -1.787 -3.891) 6.371 12.785 ( 1.760 -2.289 -0.846) 3.009 12.828 ( 2.672 -1.686 -7.039) 7.716 12.941 ( 2.302 -4.915 3.008) 6.205 13.062 ( 3.038 4.416 -9.433) 10.849 13.088 ( 0.125 1.517 -5.309) 5.523 13.253 ( 2.095 7.553 1.969) 8.081 13.320 ( -3.550 5.729 0.557) 6.762 13.500 ( 2.019 -1.627 4.333) 5.050 13.615 ( 1.807 -3.089 -0.435) 3.605 13.669 ( 0.898 1.174 0.978) 1.772 13.862 ( -1.602 -2.229 2.060) 3.432 14.043 ( -1.694 -2.279 3.953) 4.868 14.098 ( 0.312 -4.264 7.304) 8.463 14.287 ( 1.850 3.589 -0.904) 4.137 14.435 ( 7.068 1.267 2.573) 7.628 14.700 ( -2.409 2.941 1.492) 4.084 14.776 ( -2.838 0.306 -4.033) 4.941 15.018 ( 0.211 2.862 -0.273) 2.883 15.145 ( -1.455 -2.165 0.054) 2.608 15.179 ( 3.511 1.928 3.894) 5.587 15.372 ( -2.043 -5.825 0.997) 6.253 15.396 ( 0.106 0.992 -0.261) 1.031 15.481 ( 0.187 -2.968 -0.197) 2.981 15.646 ( -2.688 5.440 1.026) 6.154 15.793 ( 0.619 -1.635 -6.211) 6.452 16.066 ( 1.705 2.216 -0.427) 2.828 16.087 ( -0.251 0.494 3.871) 3.910 16.159 ( -2.991 -0.613 4.885) 5.761 16.292 ( -1.708 -0.585 0.698) 1.936 16.446 ( 5.462 -0.162 -5.832) 7.992 16.522 ( 5.066 1.552 -3.152) 6.165 16.603 ( 1.703 0.664 -0.956) 2.063 16.733 ( 1.100 -1.262 0.016) 1.675 16.820 ( -1.651 1.990 3.506) 4.357 16.848 ( 3.244 2.732 -5.470) 6.922 16.964 ( -6.100 0.913 -0.321) 6.176 17.034 ( 3.820 0.545 -3.024) 4.902 17.202 ( -1.867 3.870 2.265) 4.858 17.445 ( -1.596 -2.319 2.020) 3.465 17.554 ( -3.701 -1.654 2.970) 5.025 17.710 ( 1.198 -8.774 -0.247) 8.859 19.344 ( -2.493 2.006 0.179) 3.205 19.464 ( -1.097 -2.309 -0.159) 2.561 19.837 ( -0.017 -0.182 -1.981) 1.990 19.887 ( 1.067 -2.107 2.882) 3.726 21.265 ( 1.366 1.180 -0.984) 2.056 21.309 ( 1.338 -2.010 1.071) 2.642 21.390 ( -0.465 0.184 -0.163) 0.526 21.463 ( -2.046 -3.022 0.866) 3.751 22.074 ( -2.075 16.250 0.122) 16.382 22.217 ( -1.437 8.471 -0.056) 8.592 22.621 ( -2.603 -8.935 1.471) 9.422 22.704 ( -1.568 -6.480 -0.341) 6.676 24.605 ( 1.192 0.578 1.192) 1.783 24.639 ( 2.018 -0.872 0.433) 2.241 24.717 ( 2.572 3.379 -0.986) 4.360 24.840 ( 3.922 -1.399 -3.589) 5.497 25.107 ( -0.600 3.498 1.476) 3.843 25.306 ( -4.571 -3.464 2.547) 6.276 25.412 ( 0.132 1.940 -2.288) 3.003 25.549 ( -4.460 -2.770 0.324) 5.260 26.733 ( -2.453 0.308 -2.562) 3.560 26.774 ( -1.712 -1.068 -2.677) 3.352 27.040 ( -1.834 1.020 1.990) 2.892 27.078 ( -2.685 -0.386 2.527) 3.707 27.831 ( -3.468 1.170 -2.409) 4.382 27.923 ( -2.011 -2.450 -5.150) 6.048 28.040 ( -0.089 -0.262 6.678) 6.684 28.099 ( 0.486 -1.049 2.442) 2.702 28.495 ( -1.179 0.214 2.891) 3.129 28.561 ( -4.446 -0.348 3.656) 5.766 28.862 ( -1.422 3.423 -0.600) 3.755 29.000 ( 0.548 -1.981 -3.724) 4.253 30.022 ( 7.257 1.245 1.886) 7.601 30.066 ( 2.266 -0.269 -3.122) 3.867 30.205 ( 4.923 1.291 -1.173) 5.223 30.278 ( 5.095 -0.958 -1.145) 5.309 30.810 ( 3.907 3.946 1.000) 5.643 31.008 ( 5.041 -3.219 -3.532) 6.946 31.565 ( 1.094 -2.662 1.054) 3.066 31.596 ( 1.757 -3.011 -0.004) 3.486 32.028 ( -0.071 3.877 4.571) 5.994 32.064 ( 5.756 4.467 -0.859) 7.336 32.215 ( -3.288 -1.284 0.358) 3.548 32.270 ( -0.288 -1.880 -1.067) 2.181 32.553 ( -5.267 0.902 0.590) 5.376 32.657 ( 0.441 -3.176 0.004) 3.207 32.785 ( 1.472 1.686 0.927) 2.423 32.832 ( -1.194 -0.457 -1.090) 1.680 99.254 ( 0.383 0.325 0.602) 0.784 99.280 ( 0.356 -0.789 -0.053) 0.867 99.362 ( -0.633 1.089 -0.061) 1.261 99.396 ( -1.436 -0.308 0.063) 1.469 102.261 ( -0.319 0.016 1.014) 1.063 102.276 ( -0.840 -0.096 1.501) 1.723 102.484 ( -0.638 0.185 -0.435) 0.794 102.507 ( -2.127 -0.432 -1.167) 2.464 107.351 ( 0.436 0.050 0.231) 0.496 107.363 ( 0.048 -0.395 0.313) 0.506 107.429 ( 0.574 0.668 -0.237) 0.913 107.451 ( 0.050 -0.147 -0.185) 0.242 109.317 ( 0.265 0.106 0.146) 0.321 109.329 ( 0.189 -0.451 0.164) 0.516 109.372 ( 0.247 1.078 0.049) 1.107 109.419 ( 0.344 -0.790 -0.579) 1.038 ======================= Grid point 70 (34/78) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -6.021 -4.504 -0.449) 7.532 3.158 ( 2.873 4.292 0.915) 5.245 3.345 ( -12.876 4.432 1.950) 13.756 3.419 ( -2.412 -8.219 3.859) 9.395 3.520 ( 2.215 -2.281 2.142) 3.834 3.858 ( -4.913 -1.386 -2.166) 5.545 3.928 ( 7.313 4.991 1.654) 9.007 4.056 ( 5.213 3.487 0.560) 6.297 4.159 ( 1.864 3.433 -7.378) 8.349 4.188 ( 14.608 -2.336 -13.459) 19.999 4.291 ( 1.071 4.027 -4.472) 6.113 4.409 ( 12.694 7.722 -12.472) 19.398 4.548 ( 2.090 -4.163 1.488) 4.890 4.674 ( -12.908 -0.618 5.402) 14.006 4.788 ( -13.447 -5.117 0.084) 14.388 4.934 ( 3.248 6.630 3.492) 8.167 5.020 ( -4.883 6.941 -2.573) 8.868 5.108 ( -4.232 -0.368 5.692) 7.102 5.265 ( 12.284 -1.131 -3.757) 12.895 5.318 ( 1.454 -3.240 -0.807) 3.642 5.493 ( 1.605 -6.285 5.630) 8.589 5.581 ( -4.433 4.837 9.153) 11.262 5.617 ( -4.515 4.298 6.976) 9.355 5.732 ( -0.630 3.187 2.551) 4.131 5.888 ( -7.841 1.761 -0.040) 8.037 5.922 ( 6.005 -1.357 1.389) 6.311 6.031 ( 8.574 2.569 -1.067) 9.014 6.104 ( -6.340 0.488 -1.860) 6.625 6.211 ( 1.569 1.666 -1.443) 2.705 6.315 ( 2.905 4.106 -5.279) 7.292 6.367 ( -1.513 2.372 -0.335) 2.834 6.451 ( -2.211 -2.828 1.807) 4.019 6.628 ( 2.883 -11.125 -3.440) 11.996 6.697 ( -1.410 -5.089 4.434) 6.896 6.728 ( -10.469 -7.771 -1.703) 13.149 6.793 ( 4.488 -4.852 -1.487) 6.774 6.916 ( 1.183 -10.313 0.037) 10.381 6.944 ( 1.794 -2.448 -0.555) 3.086 7.130 ( 3.914 2.626 -2.627) 5.396 7.277 ( 4.401 -3.216 -5.673) 7.867 7.370 ( -1.426 1.512 4.944) 5.363 7.454 ( -6.706 7.790 -2.335) 10.541 7.480 ( 2.521 2.513 5.969) 6.950 7.577 ( -3.693 1.070 2.244) 4.452 7.715 ( 3.246 8.770 -4.746) 10.487 7.808 ( 1.880 -1.430 -5.996) 6.445 7.877 ( -2.572 2.247 -4.045) 5.294 8.080 ( -3.524 1.325 -4.052) 5.531 8.141 ( 0.729 -0.679 2.717) 2.893 8.248 ( 3.641 -6.623 2.073) 7.837 8.337 ( -0.671 -2.390 4.798) 5.402 8.437 ( 3.401 2.561 2.851) 5.123 8.552 ( -6.142 2.218 -2.321) 6.931 8.588 ( 0.217 -6.816 -0.748) 6.861 8.678 ( 1.606 6.339 -2.511) 7.004 8.878 ( -3.422 4.940 2.604) 6.549 9.035 ( -2.294 3.274 2.865) 4.918 9.069 ( 5.612 -4.571 -4.936) 8.761 9.076 ( 0.094 -1.299 5.622) 5.771 9.195 ( -0.047 -2.115 -4.646) 5.105 9.444 ( -1.598 -2.900 0.678) 3.380 9.505 ( 3.074 2.958 2.106) 4.758 9.537 ( 0.389 0.699 -0.601) 1.001 9.588 ( -1.024 -0.770 0.604) 1.416 9.665 ( -1.906 4.181 -2.670) 5.314 9.723 ( -2.862 -4.722 1.647) 5.762 9.767 ( 2.117 -1.366 2.108) 3.285 9.880 ( -1.253 -3.629 0.950) 3.955 10.189 ( 4.502 -1.688 2.332) 5.343 10.210 ( 1.221 4.226 -1.789) 4.749 10.275 ( -3.697 4.685 1.067) 6.063 10.397 ( 1.190 -3.539 0.736) 3.805 10.559 ( 0.318 0.822 6.235) 6.297 10.687 ( 0.596 7.012 1.890) 7.287 10.739 ( 3.603 1.671 -1.180) 4.143 10.785 ( 4.991 -4.643 -7.981) 10.495 10.901 ( 1.181 -2.531 5.607) 6.264 10.988 ( -3.643 -4.693 -0.694) 5.981 11.077 ( -0.529 0.331 -1.458) 1.585 11.217 ( -0.850 -1.515 -2.966) 3.437 11.376 ( -2.971 2.380 -0.058) 3.807 11.448 ( 0.377 -3.128 -1.612) 3.539 11.617 ( -3.818 3.154 -0.058) 4.953 11.630 ( 0.381 7.361 -3.936) 8.356 11.843 ( -3.201 -0.423 4.182) 5.284 11.912 ( 0.720 0.617 5.748) 5.825 11.948 ( -1.542 1.908 0.700) 2.552 12.045 ( 4.653 2.382 2.853) 5.955 12.243 ( -0.025 -4.243 -3.086) 5.247 12.291 ( -0.947 -4.737 -5.095) 7.021 12.451 ( 0.459 0.447 1.998) 2.098 12.668 ( -2.520 -7.098 -0.211) 7.535 12.742 ( 0.996 0.471 -4.014) 4.163 12.785 ( 2.781 1.115 -5.977) 6.686 12.886 ( 6.905 -2.551 -5.602) 9.251 12.930 ( -3.758 -4.984 -3.470) 7.141 13.033 ( 1.402 2.028 -6.613) 7.058 13.091 ( 3.038 -1.960 -1.524) 3.923 13.274 ( -2.381 7.475 1.483) 7.984 13.333 ( 2.380 7.506 6.991) 10.530 13.568 ( -1.107 -2.234 1.407) 2.863 13.623 ( -0.866 -4.268 4.003) 5.915 13.712 ( 2.618 0.538 -0.271) 2.687 13.812 ( -2.627 0.406 -0.560) 2.716 14.023 ( -3.549 -0.804 1.922) 4.115 14.109 ( -3.119 -3.085 1.718) 4.711 14.332 ( 2.247 1.782 3.339) 4.401 14.458 ( -3.655 -0.143 -0.678) 3.720 14.666 ( -2.140 2.709 1.100) 3.623 14.812 ( 5.414 -1.588 3.194) 6.484 15.005 ( -0.395 3.053 -0.440) 3.110 15.140 ( 0.167 1.299 1.262) 1.818 15.240 ( -0.593 2.650 2.144) 3.460 15.356 ( -0.481 -5.407 0.175) 5.432 15.412 ( -0.134 -2.109 2.398) 3.196 15.463 ( -1.831 -1.616 -0.275) 2.458 15.639 ( 0.820 3.636 1.125) 3.893 15.761 ( 2.391 -3.990 -6.957) 8.369 16.055 ( -3.485 0.988 -1.205) 3.818 16.116 ( 2.282 6.622 0.091) 7.005 16.123 ( -4.738 -2.448 4.488) 6.970 16.272 ( -0.950 1.810 2.374) 3.133 16.505 ( 4.242 -1.467 -4.761) 6.544 16.577 ( 2.339 5.254 -2.606) 6.314 16.661 ( 4.777 -3.547 -0.569) 5.977 16.717 ( -4.312 -1.377 0.998) 4.636 16.748 ( -4.643 2.993 2.684) 6.141 16.880 ( 1.614 -0.061 1.410) 2.144 16.952 ( 5.661 3.046 -3.498) 7.319 17.081 ( 2.487 -0.443 -1.547) 2.962 17.204 ( 0.490 5.574 1.778) 5.871 17.420 ( -0.518 -2.236 -3.761) 4.406 17.500 ( -4.926 -1.921 5.401) 7.558 17.719 ( 0.357 -9.538 -0.614) 9.565 19.314 ( -0.487 1.699 -0.105) 1.770 19.429 ( -1.048 -2.475 -2.259) 3.511 19.872 ( 3.204 0.122 2.028) 3.794 19.907 ( -1.206 -1.276 2.008) 2.667 21.284 ( 1.121 1.588 0.288) 1.965 21.352 ( 0.791 -1.644 2.645) 3.213 21.383 ( 0.686 -1.256 -1.405) 2.005 21.432 ( -1.620 -3.193 0.603) 3.631 22.060 ( 0.351 15.481 0.799) 15.505 22.184 ( -1.049 9.600 -1.855) 9.833 22.604 ( -0.624 -8.860 1.730) 9.049 22.692 ( 0.615 -6.994 -0.087) 7.021 24.623 ( -0.419 0.543 1.493) 1.643 24.663 ( -0.046 -1.104 0.656) 1.285 24.740 ( 0.608 3.244 -0.936) 3.431 24.858 ( 1.349 -1.338 -3.930) 4.365 25.116 ( -0.059 2.512 2.212) 3.348 25.242 ( -2.402 -1.896 0.032) 3.061 25.430 ( 1.982 0.619 -0.093) 2.079 25.492 ( -1.167 -1.203 -0.904) 1.904 26.670 ( -0.895 0.595 -4.141) 4.279 26.718 ( -0.814 -1.056 -4.641) 4.829 27.042 ( -0.034 0.509 2.541) 2.592 27.059 ( -1.151 -0.010 1.994) 2.302 27.768 ( -1.003 1.236 -2.405) 2.884 27.851 ( -0.521 -1.755 -4.897) 5.228 28.092 ( -0.685 -0.909 5.816) 5.927 28.159 ( 2.596 -1.863 4.432) 5.464 28.519 ( 0.629 -0.891 4.214) 4.353 28.535 ( -2.005 -0.605 5.432) 5.822 28.839 ( 0.048 4.860 -1.895) 5.216 28.992 ( 1.973 -1.796 -3.679) 4.545 30.050 ( -1.593 1.583 -1.434) 2.664 30.129 ( 1.598 -1.456 0.318) 2.185 30.230 ( 0.014 2.248 -1.619) 2.770 30.321 ( 0.215 -1.088 -1.150) 1.597 30.852 ( -0.357 3.775 0.760) 3.868 31.041 ( 1.838 -3.083 -4.274) 5.581 31.550 ( -3.689 -0.629 1.643) 4.087 31.618 ( 1.338 -2.458 -1.082) 3.000 32.030 ( -2.283 2.912 2.483) 4.456 32.161 ( 2.314 2.577 -0.024) 3.464 32.190 ( 0.557 -2.867 2.522) 3.859 32.273 ( 1.202 -1.760 -0.225) 2.143 32.515 ( 0.841 3.057 2.306) 3.921 32.679 ( 1.038 -3.306 1.743) 3.879 32.774 ( -2.032 1.095 -2.575) 3.458 32.807 ( -0.136 -0.220 -1.479) 1.502 99.265 ( 0.003 0.306 0.924) 0.974 99.289 ( 0.421 -0.760 0.446) 0.977 99.352 ( -0.156 0.811 -0.402) 0.918 99.372 ( -0.712 -0.099 -0.825) 1.094 102.269 ( 0.135 -0.195 1.353) 1.374 102.272 ( -0.915 -0.261 1.385) 1.680 102.468 ( -0.453 0.310 -1.250) 1.365 102.477 ( 0.376 -0.036 -1.397) 1.448 107.360 ( 0.113 0.036 0.621) 0.632 107.371 ( 0.245 -0.396 0.822) 0.945 107.430 ( -0.126 0.548 -0.612) 0.831 107.446 ( -0.127 -0.094 -0.592) 0.613 109.322 ( 0.070 0.098 0.288) 0.312 109.333 ( 0.015 -0.358 0.246) 0.435 109.374 ( -0.066 0.970 0.091) 0.977 109.419 ( 0.161 -0.762 -0.666) 1.025 ======================= Grid point 71 (35/78) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -26.527 3.194 0.172) 26.719 2.961 ( -21.934 5.180 -0.957) 22.558 3.160 ( -7.702 -3.959 -0.670) 8.686 3.359 ( -0.501 -0.431 2.947) 3.020 3.527 ( -11.153 -2.214 -1.158) 11.430 3.677 ( -1.549 -2.604 -1.126) 3.233 3.842 ( -13.041 4.216 -2.193) 13.879 4.068 ( -8.218 -9.061 -3.703) 12.781 4.228 ( -0.498 -0.296 -8.119) 8.140 4.275 ( 7.206 0.949 -8.952) 11.531 4.358 ( -4.612 2.613 1.110) 5.416 4.396 ( 1.287 1.254 6.318) 6.568 4.577 ( 10.090 5.828 -4.218) 12.392 4.592 ( -3.433 2.554 2.575) 4.994 4.646 ( 1.943 -2.725 -3.678) 4.973 4.866 ( -6.521 2.558 0.983) 7.073 5.032 ( -2.932 7.386 4.034) 8.912 5.141 ( 10.327 10.653 2.267) 15.009 5.280 ( -8.980 3.292 3.236) 10.097 5.373 ( 0.232 -0.728 -3.267) 3.355 5.542 ( 1.644 -4.564 2.689) 5.546 5.592 ( 3.999 -6.344 1.831) 7.720 5.682 ( 1.568 8.256 6.726) 10.764 5.738 ( -1.892 5.200 2.951) 6.271 5.786 ( -2.975 1.227 2.098) 3.841 6.024 ( -0.284 1.876 3.744) 4.198 6.071 ( -4.963 4.478 0.324) 6.693 6.143 ( 10.008 -8.185 -2.313) 13.134 6.184 ( 7.595 0.201 -2.359) 7.956 6.331 ( 1.042 -1.176 -1.924) 2.484 6.413 ( -6.860 -7.207 0.821) 9.984 6.529 ( 8.351 -0.588 -1.821) 8.567 6.572 ( 3.102 -7.227 -3.505) 8.610 6.634 ( 2.373 -6.809 3.254) 7.911 6.784 ( 6.108 -7.610 -2.040) 9.969 6.792 ( -2.397 -7.694 -3.278) 8.700 6.856 ( -1.832 -5.924 0.072) 6.201 6.985 ( 1.057 -5.737 -3.967) 7.055 7.160 ( 0.342 4.025 -1.717) 4.389 7.241 ( -3.166 6.016 -0.776) 6.842 7.363 ( 0.517 8.535 -1.809) 8.740 7.415 ( 1.708 -0.037 1.749) 2.445 7.549 ( 2.229 2.331 -0.855) 3.337 7.588 ( 1.096 1.434 4.363) 4.722 7.739 ( 0.776 5.709 -0.844) 5.823 7.802 ( 0.646 5.790 -0.918) 5.898 7.853 ( 3.058 -5.685 -3.906) 7.545 7.947 ( -3.771 -2.735 -3.798) 6.010 8.166 ( -0.172 -0.494 -0.692) 0.867 8.266 ( -4.266 -2.661 2.867) 5.787 8.385 ( -2.585 4.031 -1.710) 5.085 8.433 ( 3.921 -1.782 5.776) 7.205 8.532 ( 1.576 -1.257 0.756) 2.153 8.585 ( -0.812 -4.954 1.808) 5.336 8.754 ( 4.142 4.282 -0.171) 5.960 8.853 ( -1.240 6.219 3.645) 7.314 9.033 ( 0.205 4.272 1.612) 4.571 9.080 ( 0.942 -4.775 -4.218) 6.440 9.163 ( 0.878 -5.430 1.889) 5.816 9.182 ( 6.023 -0.531 -3.284) 6.881 9.377 ( -3.970 -3.395 -1.789) 5.522 9.512 ( -2.555 -0.063 2.068) 3.288 9.551 ( -1.147 4.649 0.489) 4.814 9.563 ( -3.252 0.846 1.349) 3.620 9.650 ( 2.469 0.045 -0.829) 2.605 9.715 ( 3.688 -2.728 -1.736) 4.904 9.779 ( -3.352 -1.929 -0.193) 3.872 9.945 ( 6.167 1.244 2.923) 6.938 10.172 ( -3.017 5.161 -0.656) 6.014 10.249 ( -0.124 -0.780 2.591) 2.709 10.291 ( 1.558 2.098 3.013) 3.988 10.441 ( 3.255 -5.677 -1.175) 6.648 10.590 ( -2.433 -0.366 4.789) 5.384 10.639 ( -4.482 7.078 -0.711) 8.408 10.752 ( 0.899 -1.399 -5.873) 6.104 10.842 ( 3.826 -0.204 -2.312) 4.475 10.934 ( 0.007 -0.164 0.200) 0.259 10.994 ( 1.028 -4.538 4.296) 6.333 11.060 ( 0.954 1.392 -1.794) 2.463 11.135 ( -3.889 0.350 -1.663) 4.244 11.354 ( 1.642 -2.671 2.087) 3.766 11.512 ( -4.396 4.449 -1.272) 6.383 11.517 ( 6.345 -1.854 -2.619) 7.110 11.642 ( 2.261 5.692 -2.892) 6.773 11.790 ( -3.540 -0.843 1.545) 3.953 11.937 ( -0.092 -0.796 2.520) 2.644 12.078 ( 6.468 -0.076 6.407) 9.104 12.125 ( 2.563 2.008 0.069) 3.257 12.218 ( 1.196 -1.568 -3.709) 4.200 12.298 ( 4.304 -0.858 -2.365) 4.985 12.488 ( 1.527 -0.205 2.457) 2.900 12.612 ( -1.562 -4.978 -0.812) 5.280 12.702 ( -2.863 -3.415 -3.111) 5.435 12.802 ( -3.991 -3.644 -6.448) 8.414 12.818 ( 5.818 1.842 -4.580) 7.630 12.937 ( 3.471 -1.806 -6.859) 7.897 13.041 ( 4.388 -0.945 -5.328) 6.966 13.113 ( -0.632 -1.256 0.005) 1.407 13.260 ( -2.140 4.486 6.043) 7.825 13.439 ( 1.228 4.814 8.151) 9.546 13.482 ( -4.685 -0.467 -2.295) 5.238 13.608 ( -5.078 1.658 1.282) 5.494 13.701 ( -0.819 -2.014 -2.585) 3.377 13.822 ( 0.313 -2.229 1.455) 2.680 13.953 ( -3.870 0.129 2.053) 4.382 14.061 ( -2.054 -0.453 0.994) 2.326 14.389 ( -2.943 3.832 1.750) 5.139 14.409 ( 0.909 0.396 5.925) 6.007 14.644 ( -1.652 2.770 1.186) 3.437 14.901 ( 2.183 -4.235 -0.337) 4.776 15.024 ( 1.293 0.760 0.992) 1.798 15.152 ( 0.379 1.950 -0.428) 2.032 15.218 ( -3.308 3.169 1.930) 4.971 15.338 ( -1.978 -4.887 0.238) 5.277 15.392 ( -2.754 -3.496 -0.180) 4.454 15.435 ( -0.896 -1.434 1.650) 2.362 15.657 ( 1.998 3.119 -3.053) 4.800 15.789 ( 4.263 -3.757 -3.258) 6.550 15.942 ( -5.970 0.906 -1.507) 6.223 16.049 ( -5.197 -2.475 1.931) 6.071 16.161 ( 1.383 8.044 0.877) 8.209 16.304 ( 1.630 4.299 2.976) 5.477 16.491 ( -1.877 1.030 -3.674) 4.252 16.589 ( -3.944 1.186 -1.278) 4.312 16.600 ( -1.579 4.809 -3.323) 6.055 16.697 ( 1.096 -5.528 2.138) 6.027 16.774 ( 3.161 -2.564 0.245) 4.077 16.968 ( 5.123 -1.913 -0.334) 5.479 17.036 ( 5.617 3.321 -2.553) 7.007 17.100 ( -0.250 0.235 0.343) 0.485 17.251 ( 1.833 6.370 4.110) 7.799 17.352 ( -3.108 0.648 -2.695) 4.165 17.499 ( 1.478 -4.670 3.308) 5.911 17.718 ( -0.432 -10.252 0.564) 10.277 19.326 ( 1.573 0.765 0.367) 1.788 19.408 ( 1.144 -1.821 -1.969) 2.915 19.874 ( -3.025 1.517 0.802) 3.478 19.971 ( 4.325 -1.834 2.832) 5.486 21.306 ( 0.455 1.063 1.067) 1.573 21.377 ( 0.246 -0.349 0.882) 0.980 21.393 ( 1.059 -1.124 -1.174) 1.940 21.420 ( 0.115 -3.686 1.333) 3.922 22.100 ( 2.425 11.908 1.319) 12.224 22.161 ( 1.041 12.971 -1.843) 13.143 22.622 ( 0.959 -8.000 1.314) 8.163 22.728 ( 2.999 -7.478 0.277) 8.062 24.611 ( -2.389 0.471 1.510) 2.865 24.645 ( -2.359 -0.702 0.620) 2.538 24.727 ( -1.035 3.086 -1.005) 3.406 24.830 ( -0.591 -1.111 -3.974) 4.169 25.140 ( 0.004 2.774 3.513) 4.476 25.221 ( 0.544 -0.136 -1.054) 1.194 25.476 ( 2.407 -1.566 1.108) 3.078 25.493 ( 2.683 -1.823 -2.199) 3.919 26.635 ( 0.585 0.364 -3.304) 3.375 26.670 ( 0.140 -0.781 -4.840) 4.904 27.065 ( 0.409 0.518 1.802) 1.919 27.082 ( 1.673 0.018 2.237) 2.793 27.750 ( 0.683 0.971 -1.631) 2.017 27.825 ( 1.389 -1.787 -3.371) 4.060 28.111 ( -0.971 1.451 3.563) 3.968 28.263 ( 4.141 -3.883 3.382) 6.608 28.555 ( 0.043 -0.344 5.167) 5.179 28.600 ( 2.366 -0.829 5.552) 6.092 28.828 ( 0.788 5.566 -2.822) 6.290 29.017 ( 3.833 -2.396 -3.342) 5.622 29.976 ( -6.102 0.994 0.628) 6.215 30.040 ( -7.759 -1.392 -3.503) 8.626 30.233 ( -1.602 1.168 0.650) 2.086 30.257 ( -4.862 0.467 -2.711) 5.586 30.821 ( -3.242 3.527 1.444) 5.004 31.009 ( -1.310 -3.368 -4.054) 5.431 31.463 ( -6.237 1.261 0.493) 6.382 31.624 ( -0.368 -4.875 -0.198) 4.893 31.985 ( -4.122 3.166 1.393) 5.381 32.158 ( -1.209 -0.864 2.501) 2.909 32.263 ( 3.460 -0.410 0.870) 3.591 32.320 ( 3.642 -0.638 0.650) 3.754 32.606 ( 4.983 2.490 3.182) 6.415 32.703 ( -1.495 1.793 -2.879) 3.707 32.727 ( 1.401 -2.148 2.461) 3.555 32.784 ( -0.136 -1.176 -2.239) 2.532 99.267 ( -0.552 0.572 0.939) 1.230 99.305 ( 0.571 -0.820 0.959) 1.384 99.347 ( -0.150 0.414 -0.613) 0.755 99.360 ( 0.597 0.223 -0.975) 1.164 102.265 ( -0.814 0.424 1.196) 1.508 102.292 ( 0.733 -0.530 2.293) 2.465 102.448 ( -0.171 0.809 -1.825) 2.004 102.493 ( 2.275 -0.830 -1.330) 2.763 107.365 ( -0.228 0.153 0.842) 0.886 107.382 ( 0.047 -0.641 0.650) 0.914 107.418 ( -0.405 0.775 -0.396) 0.960 107.438 ( -0.120 -0.127 -0.787) 0.807 109.325 ( -0.108 0.123 0.337) 0.375 109.334 ( -0.149 -0.222 0.230) 0.353 109.370 ( -0.406 0.812 0.154) 0.920 109.414 ( -0.052 -0.807 -0.839) 1.165 ======================= Grid point 72 (36/78) ======================= q-point: (-0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -33.095 12.763 1.192) 35.491 2.473 ( -31.623 6.274 5.344) 32.679 3.010 ( -4.999 -9.429 -1.665) 10.802 3.099 ( -19.707 -16.145 -6.979) 26.415 3.458 ( -10.494 1.680 -5.468) 11.952 3.517 ( -8.228 5.259 2.930) 10.196 3.637 ( 2.349 -4.729 -3.160) 6.154 3.895 ( -3.822 -0.695 -0.017) 3.885 4.044 ( -37.076 12.078 4.469) 39.249 4.162 ( -2.467 5.847 -2.496) 6.820 4.283 ( -3.439 0.032 -0.171) 3.444 4.354 ( 3.578 1.965 -2.011) 4.550 4.529 ( 1.488 1.529 11.386) 11.585 4.681 ( 4.589 1.917 -8.553) 9.894 4.843 ( 10.687 0.223 -3.062) 11.119 4.931 ( 9.658 3.583 -9.452) 13.980 5.042 ( -3.405 5.006 4.635) 7.625 5.078 ( -6.661 3.465 -2.575) 7.937 5.318 ( -1.754 -4.247 7.396) 8.707 5.373 ( 4.024 11.126 5.526) 13.058 5.538 ( -7.306 1.578 -4.667) 8.812 5.648 ( 6.909 -5.494 1.355) 8.931 5.696 ( 0.416 -3.199 -1.064) 3.397 5.771 ( 1.633 3.850 3.506) 5.457 5.844 ( 4.129 8.754 -1.477) 9.791 6.035 ( -2.665 -5.295 -0.701) 5.969 6.076 ( -2.015 1.579 2.347) 3.474 6.122 ( -0.483 -0.962 9.299) 9.361 6.298 ( 3.209 -7.319 -7.344) 10.853 6.336 ( 1.223 -5.715 -0.308) 5.853 6.414 ( 6.495 -12.515 -2.362) 14.296 6.476 ( -8.098 -4.881 3.811) 10.194 6.622 ( -3.951 -3.094 -2.645) 5.673 6.745 ( 6.710 -4.881 -2.487) 8.663 6.794 ( 0.656 -4.671 2.342) 5.266 6.878 ( 11.940 -2.626 -2.043) 12.395 6.938 ( 1.543 -5.388 -3.108) 6.409 6.977 ( 4.339 2.174 -2.626) 5.518 7.130 ( 6.211 1.278 -2.789) 6.927 7.258 ( 3.864 3.934 0.295) 5.522 7.341 ( -3.513 4.903 1.504) 6.216 7.435 ( 2.326 3.676 -2.480) 5.008 7.603 ( 1.569 0.181 1.235) 2.005 7.650 ( 1.704 -1.637 -9.950) 10.227 7.688 ( -0.463 5.606 7.087) 9.048 7.830 ( -2.362 3.544 1.250) 4.439 7.874 ( 2.980 -3.510 -0.104) 4.606 7.943 ( 5.766 -7.290 0.465) 9.306 8.108 ( -3.806 3.542 -1.262) 5.351 8.262 ( -0.135 -1.806 4.062) 4.447 8.344 ( -1.518 3.429 1.183) 3.932 8.502 ( -2.050 -0.619 3.976) 4.516 8.556 ( -2.149 -3.184 5.498) 6.707 8.598 ( 1.886 0.876 -1.734) 2.708 8.786 ( 0.546 0.925 1.284) 1.674 8.917 ( 2.211 0.427 5.790) 6.213 9.036 ( -0.183 2.732 -0.967) 2.903 9.062 ( 0.199 -2.221 -1.780) 2.853 9.197 ( 2.306 1.699 -1.333) 3.159 9.268 ( -1.548 -3.352 -5.186) 6.366 9.291 ( 2.606 -0.057 -0.767) 2.717 9.472 ( -4.300 3.674 -0.206) 5.659 9.488 ( -4.723 -1.124 4.098) 6.353 9.587 ( 4.626 4.556 3.600) 7.424 9.650 ( 0.429 -6.072 -2.551) 6.600 9.726 ( 0.935 -3.431 0.467) 3.587 9.853 ( 8.421 1.590 -1.665) 8.730 10.056 ( 1.931 6.233 0.629) 6.555 10.153 ( 2.523 -2.260 0.476) 3.420 10.251 ( -2.909 1.460 2.773) 4.276 10.301 ( -1.239 1.401 -0.352) 1.903 10.461 ( 0.800 -4.117 -4.852) 6.413 10.549 ( -3.265 3.059 2.030) 4.913 10.566 ( -1.522 2.123 -4.039) 4.810 10.696 ( -2.548 1.003 -4.538) 5.301 10.850 ( -0.596 2.433 -0.425) 2.541 10.930 ( -0.306 -5.101 -0.037) 5.110 10.953 ( -1.593 2.016 -3.172) 4.082 11.110 ( -0.250 1.971 1.156) 2.299 11.162 ( 4.704 -3.090 4.263) 7.060 11.384 ( -2.264 -3.984 -0.708) 4.636 11.461 ( 3.035 -2.276 -1.175) 3.971 11.632 ( 4.686 -0.139 -0.922) 4.777 11.659 ( 2.570 6.432 -2.193) 7.265 11.754 ( -1.260 -0.358 2.127) 2.498 11.966 ( 1.215 1.638 1.416) 2.483 12.134 ( 1.122 0.928 0.161) 1.465 12.212 ( 3.098 1.746 -3.871) 5.257 12.287 ( 5.318 1.360 4.656) 7.197 12.325 ( -0.919 1.985 0.373) 2.219 12.537 ( -1.728 -4.937 -2.008) 5.603 12.580 ( 1.150 -3.243 -0.092) 3.443 12.677 ( 4.878 -4.494 -1.264) 6.752 12.698 ( -2.216 -3.856 -2.199) 4.962 12.896 ( 1.308 -1.663 -3.750) 4.306 12.948 ( 4.739 -1.698 0.427) 5.052 13.058 ( 0.157 -0.191 -3.840) 3.848 13.129 ( 6.585 -2.205 -4.474) 8.260 13.236 ( -4.227 3.732 1.344) 5.797 13.426 ( -1.617 -1.337 3.128) 3.766 13.505 ( -1.366 4.276 5.020) 6.735 13.521 ( -2.050 3.578 1.554) 4.407 13.614 ( -6.178 0.100 -1.547) 6.370 13.789 ( -3.196 -7.427 -1.326) 8.194 13.931 ( -2.629 2.893 5.559) 6.796 14.069 ( 1.498 -0.432 2.408) 2.868 14.378 ( 0.438 10.872 -0.255) 10.884 14.439 ( -2.998 2.196 4.104) 5.536 14.592 ( -5.529 0.226 1.555) 5.748 14.918 ( -0.262 -2.697 -0.509) 2.758 15.030 ( 0.247 -1.148 -2.898) 3.127 15.138 ( -1.328 2.916 -3.363) 4.645 15.158 ( -2.920 -0.166 3.280) 4.394 15.268 ( -4.667 -6.043 -0.972) 7.697 15.340 ( -2.316 -1.057 0.151) 2.550 15.452 ( 1.053 -4.142 0.624) 4.319 15.689 ( 3.289 3.124 -1.870) 4.906 15.813 ( 0.237 3.187 -3.418) 4.680 15.861 ( -0.838 -4.194 1.353) 4.486 15.977 ( -2.124 -2.915 -1.139) 3.783 16.181 ( -0.234 7.246 1.284) 7.363 16.360 ( 0.667 5.970 1.829) 6.280 16.405 ( -5.497 4.706 -1.611) 7.414 16.430 ( -4.548 -0.800 -3.086) 5.554 16.607 ( 1.516 4.607 -2.160) 5.309 16.759 ( 2.581 -8.917 0.359) 9.289 16.816 ( 2.536 -3.096 -2.049) 4.497 17.003 ( -1.440 -4.469 -2.242) 5.203 17.071 ( -1.465 1.930 0.338) 2.446 17.124 ( 4.631 2.821 -2.029) 5.789 17.305 ( -0.445 3.251 2.262) 3.985 17.343 ( 3.175 5.457 4.602) 7.813 17.601 ( 6.345 -5.867 1.699) 8.807 17.717 ( -1.351 -10.591 3.561) 11.255 19.376 ( 2.845 -0.411 1.080) 3.071 19.442 ( 3.313 -1.608 -0.684) 3.745 19.818 ( -2.604 5.234 0.125) 5.847 20.071 ( 4.201 -4.321 1.019) 6.112 21.321 ( 0.083 1.375 1.109) 1.768 21.368 ( -0.176 -1.004 -2.403) 2.611 21.388 ( -0.391 -0.484 -1.032) 1.205 21.475 ( 3.063 -2.363 3.070) 4.939 22.138 ( 1.836 13.397 -0.350) 13.527 22.230 ( 5.606 12.691 1.165) 13.923 22.658 ( 1.881 -7.308 0.627) 7.573 22.811 ( 5.255 -7.720 0.506) 9.353 24.552 ( -4.928 0.608 1.084) 5.082 24.587 ( -3.998 -0.631 0.425) 4.070 24.685 ( -2.275 2.776 -1.450) 3.871 24.777 ( -1.360 -0.828 -3.619) 3.953 25.175 ( 0.226 5.027 4.449) 6.717 25.237 ( 2.015 2.063 -1.479) 3.241 25.535 ( 2.703 -4.298 1.623) 5.331 25.565 ( 6.363 -4.930 -1.315) 8.156 26.637 ( 1.585 -0.165 -1.353) 2.090 26.648 ( 1.105 -0.324 -2.644) 2.884 27.099 ( 1.504 1.220 1.622) 2.526 27.145 ( 2.912 -0.475 1.978) 3.552 27.758 ( 0.905 1.044 -0.165) 1.391 27.843 ( 2.769 -2.304 -2.062) 4.150 28.127 ( 0.379 3.816 1.534) 4.130 28.340 ( 1.670 -4.980 -0.084) 5.253 28.622 ( 2.287 1.100 5.416) 5.981 28.695 ( 3.117 -1.293 4.146) 5.346 28.824 ( 1.710 6.175 -3.798) 7.449 29.079 ( 4.946 -3.755 -2.523) 6.703 29.824 ( -11.242 -0.406 0.178) 11.250 29.828 ( -10.583 -0.391 -0.263) 10.594 30.051 ( -12.279 2.375 -4.036) 13.142 30.159 ( -7.433 -1.214 -2.114) 7.823 30.781 ( -2.319 2.667 2.822) 4.523 30.942 ( -1.991 -3.238 -2.881) 4.770 31.318 ( -8.864 2.396 -0.692) 9.209 31.590 ( -3.787 -9.359 0.448) 10.105 31.902 ( -5.112 4.474 1.075) 6.878 32.173 ( 0.299 -3.958 2.197) 4.536 32.334 ( 3.434 3.394 0.794) 4.893 32.402 ( 4.016 0.864 0.302) 4.119 32.657 ( -0.547 0.104 -1.308) 1.421 32.716 ( 2.536 -1.375 0.483) 2.925 32.790 ( 4.432 1.670 2.541) 5.375 32.827 ( 6.139 0.559 0.745) 6.210 99.260 ( -0.892 0.930 0.607) 1.424 99.323 ( 0.385 -1.632 -0.177) 1.686 99.341 ( 0.514 1.384 0.208) 1.491 99.380 ( 1.478 0.128 0.571) 1.589 102.263 ( -0.428 1.397 1.299) 1.955 102.338 ( 1.317 -1.334 4.028) 4.443 102.433 ( 0.224 1.681 -1.866) 2.522 102.533 ( 2.915 -1.937 -1.397) 3.769 107.363 ( -0.712 0.094 0.218) 0.751 107.373 ( -0.888 -0.063 -0.158) 0.904 107.421 ( 0.455 0.292 0.274) 0.606 107.433 ( 0.341 0.166 -0.073) 0.386 109.324 ( -0.186 0.176 0.289) 0.386 109.331 ( -0.277 -0.009 0.042) 0.280 109.362 ( -0.701 0.532 0.323) 0.938 109.402 ( -0.297 -0.936 -1.173) 1.529 ======================= Grid point 73 (37/78) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -31.324 18.840 7.846) 37.386 1.876 ( -36.349 12.692 10.667) 39.952 2.610 ( -21.225 -18.982 -2.664) 28.600 3.007 ( 0.601 -25.670 -0.818) 25.690 3.205 ( -41.076 36.353 12.543) 56.268 3.248 ( -7.624 4.190 -6.001) 10.569 3.392 ( -4.805 -0.751 1.545) 5.103 3.806 ( 9.277 6.029 0.172) 11.065 3.982 ( 7.638 -1.653 -5.159) 9.364 4.060 ( -4.557 2.482 -0.622) 5.226 4.260 ( 2.893 -6.410 -11.244) 13.262 4.409 ( 1.747 5.359 -3.700) 6.742 4.548 ( -4.200 13.652 5.996) 15.491 4.693 ( -1.396 -1.179 -1.860) 2.607 4.847 ( -0.310 -1.812 -3.356) 3.827 4.868 ( 1.776 -0.022 -12.847) 12.969 5.067 ( -2.678 4.355 6.290) 8.106 5.100 ( 2.040 -12.606 -4.408) 13.509 5.250 ( -6.286 -4.897 4.031) 8.930 5.393 ( -5.621 -5.059 2.190) 7.873 5.515 ( 4.224 10.033 8.475) 13.796 5.634 ( -1.147 9.710 -2.798) 10.170 5.792 ( 2.916 -5.805 -7.072) 9.603 5.811 ( -0.888 0.951 -3.618) 3.844 5.885 ( 3.842 0.899 2.329) 4.581 5.949 ( -0.248 -5.807 6.031) 8.376 6.137 ( -3.511 -3.616 -0.725) 5.092 6.204 ( -4.989 -0.008 0.066) 4.990 6.221 ( 3.399 2.745 -0.987) 4.479 6.358 ( -6.173 -4.244 6.616) 9.994 6.381 ( 0.779 -3.531 3.365) 4.940 6.477 ( 3.125 -12.400 -3.103) 13.158 6.532 ( -0.462 0.877 -2.866) 3.033 6.718 ( -2.559 4.245 -5.410) 7.338 6.843 ( 3.897 -2.832 -4.680) 6.716 6.929 ( -0.105 -7.215 0.256) 7.221 7.024 ( 5.004 -4.179 -6.571) 9.257 7.120 ( 9.928 0.500 0.491) 9.953 7.224 ( -1.575 -6.091 -1.705) 6.518 7.310 ( 0.651 2.361 4.546) 5.164 7.400 ( 8.906 0.830 1.509) 9.071 7.501 ( 4.345 4.638 1.211) 6.470 7.600 ( 5.671 0.636 -4.382) 7.195 7.671 ( 2.675 -4.612 4.881) 7.228 7.742 ( -0.105 4.684 1.207) 4.838 7.827 ( 1.084 2.549 3.110) 4.165 7.927 ( 2.552 -2.147 -2.878) 4.405 8.015 ( -4.191 1.729 1.810) 4.881 8.107 ( 6.963 -1.140 1.997) 7.333 8.294 ( 0.797 -4.830 2.892) 5.686 8.354 ( 0.776 5.407 4.372) 6.996 8.481 ( -2.813 0.191 -0.243) 2.830 8.549 ( -1.718 -3.564 1.165) 4.124 8.580 ( -3.044 3.157 10.203) 11.106 8.828 ( 2.536 -0.716 -1.588) 3.077 8.963 ( -2.015 2.284 4.292) 5.263 9.016 ( -1.049 -2.229 -4.033) 4.726 9.080 ( 1.610 1.602 2.081) 3.081 9.145 ( -1.242 1.574 -4.893) 5.288 9.231 ( -1.736 2.508 2.296) 3.818 9.320 ( 1.622 0.937 -3.560) 4.023 9.421 ( 0.635 1.524 -0.314) 1.681 9.457 ( -2.919 3.134 4.604) 6.288 9.634 ( 0.462 -2.896 -1.603) 3.342 9.744 ( 7.143 -0.227 2.792) 7.673 9.850 ( 6.968 -4.241 2.988) 8.687 9.928 ( 1.305 1.387 -0.122) 1.908 10.103 ( 2.305 1.854 -3.673) 4.716 10.158 ( -1.561 -3.972 0.467) 4.294 10.215 ( -1.287 2.450 -1.427) 3.114 10.270 ( 0.107 -0.478 -0.750) 0.895 10.393 ( -3.582 -0.131 -5.015) 6.165 10.477 ( -3.262 2.973 -5.465) 7.024 10.537 ( -0.033 3.613 -0.085) 3.614 10.635 ( 1.741 -1.884 -1.232) 2.846 10.819 ( -1.490 -2.170 -4.079) 4.855 10.913 ( -0.217 -0.243 0.373) 0.495 10.977 ( 3.318 -0.689 0.098) 3.390 11.071 ( -2.746 5.195 -1.063) 5.971 11.199 ( -2.592 0.637 -0.300) 2.686 11.383 ( 2.535 -6.682 -0.152) 7.148 11.500 ( 2.057 -2.823 -4.576) 5.757 11.634 ( -2.388 1.201 2.370) 3.572 11.696 ( 0.789 1.485 0.393) 1.727 11.812 ( 3.811 4.253 1.596) 5.930 12.007 ( 2.000 4.278 0.422) 4.741 12.124 ( -4.557 -2.294 2.165) 5.542 12.194 ( -1.105 -1.587 -5.487) 5.818 12.333 ( 1.814 2.933 3.290) 4.766 12.411 ( 3.883 3.412 4.007) 6.540 12.469 ( 1.132 -1.232 -5.615) 5.859 12.642 ( -1.049 -3.759 0.492) 3.934 12.666 ( 3.974 -4.319 0.646) 5.905 12.781 ( 1.764 -11.278 0.158) 11.416 12.860 ( 3.589 1.585 -5.654) 6.883 13.001 ( -2.223 -0.659 -1.411) 2.714 13.047 ( -1.182 -0.161 2.441) 2.717 13.175 ( 1.415 -2.194 0.460) 2.651 13.294 ( 9.199 1.365 -3.020) 9.778 13.407 ( -3.698 5.064 -0.857) 6.329 13.422 ( -1.562 1.422 -2.229) 3.071 13.533 ( -0.528 2.960 3.306) 4.469 13.610 ( 1.529 -1.401 8.441) 8.693 13.701 ( -5.072 -6.360 4.294) 9.199 13.935 ( -2.559 5.241 6.832) 8.983 14.135 ( 1.579 1.379 3.105) 3.746 14.334 ( -9.355 3.106 -0.304) 9.862 14.344 ( -2.955 8.028 -5.382) 10.106 14.505 ( -1.637 0.954 -1.063) 2.172 14.862 ( -0.035 -4.378 -9.844) 10.774 15.008 ( -0.596 2.976 -0.097) 3.036 15.100 ( -0.213 1.423 -1.259) 1.912 15.158 ( -0.962 -0.070 2.489) 2.669 15.172 ( -3.808 -2.986 0.163) 4.842 15.308 ( -1.839 -1.054 2.070) 2.963 15.472 ( 0.825 -6.681 -0.165) 6.734 15.725 ( 1.134 2.544 0.560) 2.841 15.809 ( 0.956 1.286 -0.678) 1.740 15.887 ( 2.927 -1.716 -0.938) 3.520 15.956 ( 1.152 -4.112 -2.063) 4.743 16.181 ( -0.478 4.751 1.441) 4.988 16.243 ( -6.302 7.949 -2.093) 10.357 16.362 ( -1.792 1.465 -1.961) 3.033 16.380 ( -1.203 2.729 -0.497) 3.024 16.623 ( 1.207 1.574 -0.742) 2.117 16.770 ( -0.523 -10.262 -1.736) 10.421 16.806 ( -5.309 0.616 2.268) 5.806 16.946 ( 0.681 -2.944 -1.619) 3.428 17.083 ( 2.343 0.441 -1.426) 2.778 17.161 ( 1.393 -0.637 -1.724) 2.306 17.347 ( 1.180 4.370 3.376) 5.647 17.430 ( 2.316 5.313 2.617) 6.359 17.720 ( -2.433 -10.595 6.524) 12.678 17.746 ( 6.630 -8.173 0.002) 10.524 19.447 ( 3.250 -1.063 1.564) 3.761 19.501 ( 2.549 -2.318 -0.225) 3.453 19.806 ( 1.882 9.047 0.425) 9.251 20.143 ( 3.773 -5.212 -2.435) 6.879 21.304 ( -1.864 -0.572 -2.411) 3.101 21.336 ( -0.379 0.066 -3.999) 4.017 21.386 ( 0.240 2.057 2.248) 3.056 21.572 ( 4.809 -2.609 1.270) 5.616 22.188 ( 3.297 17.848 0.253) 18.152 22.359 ( 7.288 12.502 -0.219) 14.473 22.703 ( 2.250 -7.219 0.746) 7.598 22.929 ( 6.540 -7.131 -0.064) 9.676 24.448 ( -6.315 1.188 0.863) 6.484 24.507 ( -4.537 -1.415 0.231) 4.758 24.615 ( -3.217 2.503 -2.258) 4.660 24.722 ( -1.146 -0.971 -4.182) 4.444 25.222 ( 0.787 8.403 3.929) 9.310 25.268 ( 2.429 4.667 -1.256) 5.409 25.620 ( 3.554 -7.901 5.569) 10.300 25.705 ( 8.426 -8.681 0.165) 12.099 26.670 ( 2.299 0.011 2.327) 3.271 26.680 ( 2.091 -0.410 1.972) 2.903 27.145 ( 1.790 1.864 1.412) 2.945 27.219 ( 2.981 -0.928 1.744) 3.577 27.786 ( 1.409 1.439 2.316) 3.069 27.890 ( 3.127 -2.877 -0.512) 4.279 28.140 ( -0.064 4.239 -0.088) 4.240 28.319 ( -2.198 -3.114 -2.956) 4.824 28.717 ( 3.087 0.660 3.016) 4.366 28.772 ( 2.426 -0.598 -1.430) 2.879 28.837 ( 2.777 6.084 -1.086) 6.776 29.146 ( 3.384 -4.976 -2.490) 6.512 29.588 ( -12.736 0.118 1.655) 12.844 29.636 ( -10.713 -1.262 2.666) 11.112 29.741 ( -15.566 1.919 -3.197) 16.006 29.912 ( -14.857 -4.239 -5.759) 16.488 30.774 ( -1.115 1.951 2.162) 3.118 30.903 ( -0.294 -2.484 -0.673) 2.590 31.119 ( -9.982 2.686 -2.798) 10.709 31.468 ( -9.993 -15.418 1.465) 18.432 31.831 ( -3.287 6.614 1.603) 7.558 32.188 ( -0.081 -7.030 0.519) 7.049 32.403 ( 3.253 4.769 0.036) 5.773 32.479 ( 3.565 0.977 -0.160) 3.700 32.623 ( -1.921 -0.410 -0.816) 2.127 32.776 ( 3.780 -5.205 -0.313) 6.440 32.945 ( 10.256 7.916 1.394) 13.031 32.999 ( 10.114 3.348 0.368) 10.660 99.246 ( -0.906 1.127 0.352) 1.488 99.314 ( 0.098 -1.061 -1.898) 2.176 99.375 ( 1.590 1.500 1.643) 2.734 99.427 ( 2.153 -0.186 2.617) 3.394 102.270 ( -0.075 2.462 1.408) 2.837 102.411 ( 1.803 -2.487 3.828) 4.908 102.431 ( 0.761 1.663 1.994) 2.706 102.577 ( 2.747 -2.804 -1.286) 4.131 107.340 ( -1.090 0.235 -0.580) 1.256 107.359 ( -0.820 -0.257 0.171) 0.876 107.430 ( 0.918 1.107 -0.538) 1.536 107.453 ( 1.092 0.315 0.529) 1.253 109.322 ( -0.268 0.198 0.042) 0.336 109.324 ( -0.273 0.255 -0.250) 0.449 109.351 ( -0.812 0.138 0.654) 1.051 109.381 ( -0.742 -1.030 -1.638) 2.072 ======================= Grid point 74 (38/78) ======================= q-point: (-0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -24.406 22.708 16.688) 37.280 1.390 ( -24.220 27.794 21.764) 42.811 2.290 ( -14.576 -11.058 6.854) 19.538 2.540 ( -36.430 45.522 25.886) 63.793 3.032 ( 4.086 -32.196 -3.681) 32.662 3.202 ( 6.584 4.023 -9.551) 12.278 3.406 ( -2.179 5.642 2.997) 6.750 3.777 ( -9.459 3.424 -19.127) 21.611 3.989 ( 10.724 4.049 -0.484) 11.474 4.196 ( 9.690 -1.093 -2.491) 10.064 4.229 ( 7.109 -14.073 -13.472) 20.739 4.352 ( -2.679 6.553 -6.947) 9.919 4.568 ( -3.996 10.828 12.172) 16.774 4.635 ( 3.913 3.558 -4.485) 6.935 4.768 ( 0.683 -2.447 -13.655) 13.889 4.875 ( -1.289 -18.575 3.111) 18.877 4.957 ( -4.603 -4.872 -1.001) 6.777 5.103 ( -4.769 -5.367 8.746) 11.315 5.233 ( -2.163 -0.146 -0.244) 2.181 5.305 ( -2.932 -12.821 2.053) 13.312 5.611 ( 0.510 14.361 2.073) 14.518 5.652 ( 0.084 2.871 2.850) 4.046 5.750 ( -0.683 0.594 -5.740) 5.811 5.759 ( 0.093 -0.750 1.221) 1.436 5.923 ( 0.479 -1.343 -4.886) 5.090 6.000 ( -4.437 -3.361 3.611) 6.635 6.020 ( -2.488 2.786 -0.472) 3.765 6.084 ( -1.790 10.375 -5.365) 11.816 6.181 ( -3.065 2.045 -6.241) 7.248 6.296 ( -5.590 -7.233 5.754) 10.802 6.419 ( -2.085 -4.940 -0.452) 5.382 6.529 ( -0.102 3.123 3.103) 4.404 6.560 ( 4.402 -5.400 4.117) 8.092 6.711 ( 7.435 4.788 -9.522) 12.995 6.789 ( -2.190 -11.725 -7.737) 14.218 6.957 ( 2.244 -3.033 -2.386) 4.464 7.012 ( -1.055 -8.475 3.390) 9.189 7.149 ( -1.609 -11.150 -2.240) 11.486 7.287 ( 4.226 1.499 -0.913) 4.576 7.388 ( 3.151 4.275 3.191) 6.195 7.493 ( 1.682 0.427 -3.084) 3.538 7.583 ( 1.717 4.424 4.018) 6.218 7.702 ( 1.500 4.926 5.897) 7.829 7.773 ( 4.024 0.196 -2.303) 4.641 7.800 ( 5.272 2.290 0.468) 5.767 7.815 ( -3.760 0.952 0.499) 3.911 7.960 ( -1.275 -0.792 -0.118) 1.505 7.989 ( 4.116 -5.830 1.338) 7.261 8.235 ( 1.675 -1.606 6.982) 7.358 8.291 ( -0.968 -6.752 -2.284) 7.193 8.406 ( -0.270 1.658 -1.258) 2.099 8.443 ( -0.347 3.966 8.113) 9.037 8.595 ( 4.495 -1.036 2.182) 5.103 8.656 ( -2.148 3.404 11.053) 11.763 8.852 ( 2.298 -0.803 0.179) 2.441 8.923 ( -0.456 4.923 -3.115) 5.844 8.972 ( -1.357 3.314 -0.771) 3.663 9.115 ( -1.004 0.521 0.808) 1.390 9.143 ( 4.341 2.037 1.472) 5.016 9.211 ( -4.057 -0.719 4.859) 6.371 9.357 ( 4.069 4.482 0.678) 6.091 9.418 ( -2.169 -6.024 2.739) 6.964 9.478 ( 2.031 6.573 3.007) 7.508 9.628 ( 0.968 2.527 -2.784) 3.883 9.853 ( -2.675 -3.518 -4.866) 6.573 9.858 ( 2.084 -2.161 1.519) 3.365 9.993 ( -4.165 -0.644 0.565) 4.252 10.049 ( 4.908 -3.761 1.029) 6.268 10.143 ( -3.681 7.537 -6.075) 10.357 10.200 ( 0.276 -1.348 1.812) 2.275 10.271 ( -2.618 -1.261 -1.987) 3.520 10.329 ( 5.535 -1.037 0.112) 5.633 10.406 ( 0.105 0.405 -2.091) 2.132 10.526 ( 0.657 4.052 1.655) 4.426 10.717 ( -1.309 -4.837 -1.853) 5.342 10.768 ( 4.049 -2.212 -1.479) 4.845 10.898 ( -0.665 1.615 -2.181) 2.794 10.987 ( 0.224 2.056 -2.856) 3.527 11.073 ( 4.167 1.822 -2.566) 5.222 11.210 ( 3.717 5.137 1.876) 6.613 11.390 ( -2.253 -7.010 -0.313) 7.370 11.475 ( 1.533 3.667 -3.048) 5.009 11.583 ( -3.927 -2.107 -0.154) 4.459 11.713 ( -1.632 -0.900 2.622) 3.217 11.878 ( 1.776 7.334 0.698) 7.578 11.973 ( -6.271 0.028 -0.452) 6.287 12.061 ( -1.655 0.023 -0.138) 1.661 12.114 ( -1.930 -1.620 1.317) 2.844 12.432 ( 3.591 0.702 -0.277) 3.669 12.455 ( -0.851 -1.706 -5.692) 6.002 12.481 ( 3.181 2.287 -4.751) 6.158 12.601 ( 0.593 2.902 0.930) 3.105 12.763 ( -0.740 -7.371 1.261) 7.514 12.812 ( 8.501 -1.834 0.002) 8.696 12.910 ( 2.469 -5.116 -3.624) 6.738 12.943 ( -3.006 -3.785 -0.706) 4.885 13.031 ( 0.941 4.734 2.403) 5.392 13.170 ( -2.815 -1.195 1.387) 3.358 13.334 ( 0.528 1.818 -2.140) 2.857 13.387 ( -2.395 -1.390 0.474) 2.809 13.419 ( -0.387 2.156 3.644) 4.252 13.511 ( -4.914 -2.846 -4.047) 6.973 13.661 ( 2.362 4.530 5.435) 7.459 13.814 ( -0.278 -2.038 9.567) 9.785 13.967 ( 2.265 2.963 7.546) 8.417 14.097 ( -7.537 3.662 4.604) 9.561 14.188 ( -5.505 -0.645 -4.406) 7.081 14.206 ( -2.394 4.612 -1.667) 5.457 14.528 ( 9.589 6.478 -10.606) 15.697 14.829 ( 8.914 -4.281 -15.739) 18.588 15.011 ( -0.007 3.720 1.007) 3.854 15.094 ( -0.835 1.480 2.899) 3.360 15.116 ( 0.063 -0.170 2.774) 2.780 15.196 ( 0.146 0.155 5.553) 5.557 15.304 ( -1.203 -0.303 4.091) 4.275 15.494 ( 1.221 -8.127 1.990) 8.456 15.750 ( 0.605 1.834 0.579) 2.016 15.825 ( 2.521 0.915 -2.995) 4.020 15.901 ( -1.610 -1.263 -0.524) 2.112 16.004 ( 4.502 -4.816 -0.743) 6.635 16.117 ( -4.289 10.472 -3.300) 11.787 16.204 ( 0.870 2.228 2.177) 3.234 16.314 ( -1.250 3.083 -2.868) 4.392 16.332 ( -2.943 -1.903 0.404) 3.528 16.601 ( -4.822 -2.371 2.670) 6.000 16.714 ( -4.498 -11.069 -0.463) 11.957 16.739 ( -3.408 5.508 5.336) 8.392 16.970 ( 2.411 -2.820 -2.560) 4.508 17.122 ( 2.137 0.245 0.265) 2.167 17.176 ( 1.305 -1.324 0.402) 1.902 17.370 ( -1.544 2.437 2.728) 3.971 17.474 ( 1.347 5.186 -1.166) 5.484 17.669 ( -9.204 -11.988 6.505) 16.454 17.857 ( 5.153 -8.324 -2.473) 10.098 19.517 ( 2.260 -1.533 2.031) 3.403 19.528 ( 0.780 -1.889 -0.125) 2.048 19.899 ( 6.870 8.259 -2.532) 11.037 20.164 ( 2.303 -3.582 -6.961) 8.160 21.222 ( -2.674 0.937 -3.871) 4.797 21.308 ( 0.545 -0.586 -2.253) 2.391 21.411 ( -0.092 4.053 1.567) 4.347 21.657 ( 4.276 -3.944 -4.167) 7.156 22.250 ( 2.728 17.542 -1.065) 17.784 22.500 ( 10.059 16.434 -7.632) 20.725 22.761 ( 2.685 -6.044 2.300) 7.003 23.032 ( 4.149 -5.272 -2.121) 7.036 24.346 ( -4.704 1.547 1.007) 5.053 24.431 ( -3.082 -2.022 0.377) 3.706 24.538 ( -2.133 2.434 -2.790) 4.273 24.647 ( -2.235 -0.818 -7.127) 7.514 25.256 ( -0.043 9.645 1.799) 9.812 25.310 ( 2.591 7.058 -0.871) 7.569 25.781 ( 5.705 -12.712 10.041) 17.174 25.862 ( 6.179 -11.601 1.140) 13.193 26.748 ( 1.584 0.059 5.098) 5.339 26.815 ( 7.062 -3.645 13.919) 16.028 27.185 ( 1.107 2.168 1.615) 2.921 27.277 ( 1.459 -1.276 1.490) 2.445 27.849 ( 0.348 0.207 4.923) 4.940 27.954 ( 3.158 -2.636 2.074) 4.607 28.121 ( -1.168 3.290 -0.726) 3.566 28.236 ( -2.375 -1.296 -3.206) 4.195 28.713 ( -1.499 3.874 -5.959) 7.264 28.807 ( 3.294 0.114 1.048) 3.459 28.907 ( 2.429 2.456 2.318) 4.160 29.102 ( -6.070 -3.041 -3.344) 7.568 29.432 ( -4.302 -0.522 5.012) 6.626 29.434 ( -16.058 -2.567 -3.642) 16.665 29.476 ( -9.241 -1.270 3.848) 10.091 29.551 ( -12.896 -3.382 -3.442) 13.769 30.766 ( -0.476 3.083 -0.460) 3.153 30.889 ( -7.077 2.731 2.081) 7.866 30.953 ( 2.455 -2.960 -4.955) 6.273 31.235 ( -16.627 -18.251 4.375) 25.074 31.799 ( -1.798 7.478 1.997) 7.947 32.186 ( -0.280 -7.400 0.320) 7.412 32.455 ( 2.696 1.326 -1.717) 3.461 32.482 ( -1.998 0.115 -5.477) 5.831 32.599 ( 0.246 3.146 0.573) 3.207 32.833 ( 2.355 -5.634 -1.067) 6.199 33.148 ( 9.834 8.930 -7.475) 15.242 33.185 ( 10.809 8.096 -7.497) 15.446 99.233 ( -0.694 1.150 0.248) 1.365 99.300 ( 0.229 -1.007 -2.066) 2.309 99.418 ( 1.511 2.051 1.092) 2.772 99.502 ( 2.386 -1.798 2.918) 4.176 102.280 ( -0.047 3.300 1.048) 3.463 102.425 ( 0.837 2.582 -1.458) 3.082 102.530 ( 0.688 -8.782 9.879) 13.236 102.616 ( 2.173 -3.441 -0.434) 4.093 107.321 ( -0.465 0.396 -0.124) 0.623 107.345 ( -0.606 -0.478 0.159) 0.788 107.446 ( 1.647 2.408 -2.422) 3.792 107.472 ( 0.669 0.660 -0.810) 1.241 109.313 ( -0.254 0.176 -0.399) 0.505 109.320 ( -0.124 0.120 -0.323) 0.366 109.342 ( -0.619 -0.010 0.482) 0.784 109.350 ( -0.947 -0.230 -0.604) 1.147 ======================= Grid point 75 (39/78) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 3.943 -24.563 16.839) 30.040 1.770 ( 3.943 24.563 16.839) 30.040 2.255 ( 4.168 -41.605 12.867) 43.748 2.255 ( 4.168 41.605 12.867) 43.748 3.268 ( -13.938 -11.194 -6.295) 18.952 3.268 ( -13.938 11.194 -6.295) 18.952 3.587 ( -4.701 -31.658 3.365) 32.182 3.587 ( -4.701 31.658 3.365) 32.182 3.828 ( 9.424 -14.890 -11.984) 21.311 3.828 ( 9.424 14.890 -11.984) 21.311 4.305 ( -1.182 -6.072 -6.801) 9.194 4.305 ( -1.182 6.072 -6.801) 9.194 4.460 ( 0.398 -12.230 -2.848) 12.564 4.460 ( 0.398 12.230 -2.848) 12.564 4.824 ( -0.663 -10.032 10.310) 14.400 4.824 ( -0.663 10.032 10.310) 14.400 4.943 ( 7.503 -7.109 -0.042) 10.336 4.943 ( 7.503 7.109 -0.042) 10.336 5.246 ( 0.326 -3.408 3.125) 4.635 5.246 ( 0.326 3.408 3.125) 4.635 5.657 ( -1.440 -2.537 -3.459) 4.525 5.657 ( -1.440 2.537 -3.459) 4.525 5.790 ( -0.556 -4.064 -5.952) 7.228 5.790 ( -0.556 4.064 -5.952) 7.228 5.967 ( 1.135 -2.611 -1.703) 3.317 5.967 ( 1.135 2.611 -1.703) 3.317 6.142 ( 1.895 -10.388 -3.132) 11.014 6.142 ( 1.895 10.388 -3.132) 11.014 6.244 ( -0.929 -3.090 3.315) 4.626 6.244 ( -0.929 3.090 3.315) 4.626 6.350 ( -0.233 -6.762 1.120) 6.858 6.350 ( -0.233 6.762 1.120) 6.858 6.594 ( -1.894 -9.482 -2.795) 10.065 6.594 ( -1.894 9.482 -2.795) 10.065 6.757 ( -0.826 -12.197 -0.752) 12.248 6.757 ( -0.826 12.197 -0.752) 12.248 7.009 ( 5.641 -6.803 -2.635) 9.222 7.009 ( 5.641 6.803 -2.635) 9.222 7.397 ( -0.733 -5.734 -2.911) 6.472 7.397 ( -0.733 5.734 -2.911) 6.472 7.546 ( -5.649 -7.747 6.640) 11.662 7.546 ( -5.649 7.747 6.640) 11.662 7.705 ( -3.168 -3.206 -2.803) 5.308 7.705 ( -3.168 3.206 -2.803) 5.308 7.883 ( 1.875 -3.233 -4.552) 5.889 7.883 ( 1.875 3.233 -4.552) 5.889 8.010 ( 3.685 -3.425 2.387) 5.568 8.010 ( 3.685 3.425 2.387) 5.568 8.241 ( 3.306 -2.960 -2.403) 5.046 8.241 ( 3.306 2.960 -2.403) 5.046 8.483 ( -0.966 -2.934 0.772) 3.184 8.483 ( -0.966 2.934 0.772) 3.184 8.665 ( -6.912 -8.133 10.543) 15.003 8.665 ( -6.912 8.133 10.543) 15.003 8.883 ( 0.074 -1.803 -4.163) 4.538 8.883 ( 0.074 1.803 -4.163) 4.538 9.084 ( -0.282 -2.816 5.102) 5.834 9.084 ( -0.282 2.816 5.102) 5.834 9.227 ( -2.562 -2.726 3.770) 5.311 9.227 ( -2.562 2.726 3.770) 5.311 9.362 ( -1.143 -3.354 2.193) 4.167 9.362 ( -1.143 3.354 2.193) 4.167 9.703 ( 0.772 -3.038 4.220) 5.257 9.703 ( 0.772 3.038 4.220) 5.257 9.834 ( 4.056 -5.982 0.987) 7.294 9.834 ( 4.056 5.982 0.987) 7.294 10.023 ( -1.083 -1.126 3.845) 4.150 10.023 ( -1.083 1.126 3.845) 4.150 10.120 ( -1.787 -2.250 -2.458) 3.782 10.120 ( -1.787 2.250 -2.458) 3.782 10.348 ( 3.257 -8.478 -4.645) 10.201 10.348 ( 3.257 8.478 -4.645) 10.201 10.476 ( 3.506 -0.856 -0.899) 3.720 10.476 ( 3.506 0.856 -0.899) 3.720 10.766 ( 1.591 -6.771 2.084) 7.261 10.766 ( 1.591 6.771 2.084) 7.261 10.964 ( 3.810 -3.288 -4.864) 6.998 10.964 ( 3.810 3.288 -4.864) 6.998 11.185 ( -3.999 -3.648 -3.023) 6.200 11.185 ( -3.999 3.648 -3.023) 6.200 11.320 ( -1.881 -5.684 1.873) 6.273 11.320 ( -1.881 5.684 1.873) 6.273 11.691 ( -0.542 -4.916 7.677) 9.133 11.691 ( -0.542 4.916 7.677) 9.133 11.905 ( 2.329 -2.964 -2.776) 4.682 11.905 ( 2.329 2.964 -2.776) 4.682 12.141 ( 3.437 -2.550 -1.743) 4.621 12.141 ( 3.437 2.550 -1.743) 4.621 12.357 ( -5.811 -2.341 -2.782) 6.855 12.357 ( -5.811 2.341 -2.782) 6.855 12.598 ( 2.327 -3.669 -5.329) 6.876 12.598 ( 2.327 3.669 -5.329) 6.876 12.763 ( 1.283 -2.484 1.827) 3.340 12.763 ( 1.283 2.484 1.827) 3.340 12.920 ( 3.239 -1.433 -0.695) 3.610 12.920 ( 3.239 1.433 -0.695) 3.610 13.176 ( 1.405 -1.932 1.616) 2.885 13.176 ( 1.405 1.932 1.616) 2.885 13.293 ( -3.346 -0.595 -0.084) 3.399 13.293 ( -3.346 0.595 -0.084) 3.399 13.402 ( -3.694 -1.057 4.400) 5.841 13.402 ( -3.694 1.057 4.400) 5.841 13.702 ( -8.056 -3.216 0.288) 8.679 13.702 ( -8.056 3.216 0.288) 8.679 14.059 ( -0.557 -5.239 4.607) 6.998 14.059 ( -0.557 5.239 4.607) 6.998 14.192 ( 0.372 -3.958 -1.322) 4.189 14.192 ( 0.372 3.958 -1.322) 4.189 14.760 ( 8.698 -7.203 -14.467) 18.353 14.760 ( 8.698 7.203 -14.467) 18.353 15.049 ( -2.484 -2.343 1.341) 3.669 15.049 ( -2.484 2.343 1.341) 3.669 15.313 ( 8.856 -0.533 5.015) 10.191 15.313 ( 8.856 0.533 5.015) 10.191 15.399 ( 0.898 -6.944 6.117) 9.297 15.399 ( 0.898 6.944 6.117) 9.297 15.795 ( -1.987 -2.109 -1.826) 3.425 15.795 ( -1.987 2.109 -1.826) 3.425 15.905 ( 1.157 -4.294 -2.811) 5.262 15.905 ( 1.157 4.294 -2.811) 5.262 16.198 ( -0.839 -3.893 -1.780) 4.362 16.198 ( -0.839 3.893 -1.780) 4.362 16.308 ( 0.206 -3.047 0.777) 3.151 16.308 ( 0.206 3.047 0.777) 3.151 16.521 ( -2.916 -2.516 2.717) 4.713 16.521 ( -2.916 2.516 2.717) 4.713 16.855 ( -2.402 -6.649 2.983) 7.673 16.855 ( -2.402 6.649 2.983) 7.673 17.200 ( 2.906 -1.623 1.036) 3.486 17.200 ( 2.906 1.623 1.036) 3.486 17.371 ( -4.399 -1.513 1.242) 4.815 17.371 ( -4.399 1.513 1.242) 4.815 17.683 ( -0.971 -8.885 -0.930) 8.986 17.683 ( -0.971 8.885 -0.930) 8.986 19.532 ( 0.140 -0.588 1.928) 2.020 19.532 ( 0.140 0.588 1.928) 2.020 20.029 ( -0.256 -5.618 -10.330) 11.762 20.029 ( -0.256 5.618 -10.330) 11.762 21.281 ( 2.699 -2.995 -0.507) 4.063 21.281 ( 2.699 2.995 -0.507) 4.063 21.508 ( -1.923 -6.077 -2.870) 6.990 21.508 ( -1.923 6.077 -2.870) 6.990 22.528 ( -0.841 -10.136 -1.501) 10.281 22.528 ( -0.841 10.136 -1.501) 10.281 22.915 ( 0.391 -7.846 -5.811) 9.771 22.915 ( 0.391 7.846 -5.811) 9.771 24.352 ( -0.094 -2.612 1.195) 2.874 24.352 ( -0.094 2.612 1.195) 2.874 24.550 ( 1.439 -1.314 -5.265) 5.615 24.550 ( 1.439 1.314 -5.265) 5.615 25.461 ( -1.973 -4.651 1.153) 5.182 25.461 ( -1.973 4.651 1.153) 5.182 25.676 ( -0.332 -4.692 3.343) 5.770 25.676 ( -0.332 4.692 3.343) 5.770 26.852 ( -1.586 -3.747 9.364) 10.210 26.852 ( -1.586 3.747 9.364) 10.210 27.256 ( -0.740 -2.377 1.236) 2.780 27.256 ( -0.740 2.377 1.236) 2.780 27.924 ( -1.209 -4.381 2.702) 5.287 27.924 ( -1.209 4.381 2.702) 5.287 28.173 ( 1.249 -3.217 -1.205) 3.655 28.173 ( 1.249 3.217 -1.205) 3.655 28.881 ( 7.128 -1.258 4.139) 8.338 28.881 ( 7.128 1.258 4.139) 8.338 28.962 ( -0.183 -3.351 1.083) 3.526 28.962 ( -0.183 3.351 1.083) 3.526 29.255 ( -5.032 -3.684 -3.018) 6.928 29.255 ( -5.032 3.684 -3.018) 6.928 29.431 ( 2.537 -1.464 3.736) 4.747 29.431 ( 2.537 1.464 3.736) 4.747 30.793 ( -6.189 -3.735 -2.526) 7.657 30.793 ( -6.189 3.735 -2.526) 7.657 30.948 ( 4.884 -4.182 2.117) 6.769 30.948 ( 4.884 4.182 2.117) 6.769 31.999 ( -0.420 -9.946 2.505) 10.265 31.999 ( -0.420 9.946 2.505) 10.265 32.439 ( -0.156 -2.081 -5.848) 6.209 32.439 ( -0.156 2.081 -5.848) 6.209 32.730 ( 0.450 -5.807 1.726) 6.075 32.730 ( 0.450 5.807 1.726) 6.075 33.258 ( -1.562 -0.736 -11.920) 12.044 33.258 ( -1.562 0.736 -11.920) 12.044 99.256 ( -0.075 -1.697 -0.718) 1.844 99.256 ( -0.075 1.697 -0.718) 1.844 99.480 ( -0.744 -1.401 0.655) 1.716 99.480 ( -0.744 1.401 0.655) 1.716 102.362 ( -2.454 -4.101 1.983) 5.173 102.362 ( -2.454 4.101 1.983) 5.173 102.548 ( 0.669 -4.609 0.571) 4.692 102.548 ( 0.669 4.609 0.571) 4.692 107.334 ( 0.346 -0.547 0.627) 0.901 107.334 ( 0.346 0.547 0.627) 0.901 107.465 ( -0.418 -0.311 -2.749) 2.798 107.465 ( -0.418 0.311 -2.749) 2.798 109.312 ( 0.052 -0.106 -0.209) 0.240 109.312 ( 0.052 0.106 -0.209) 0.240 109.347 ( 0.377 -0.380 0.457) 0.704 109.347 ( 0.377 0.380 0.457) 0.704 ======================= Grid point 77 (40/78) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 13.981 -19.594 15.647) 28.710 2.102 ( 13.981 19.594 15.647) 28.710 2.501 ( 5.056 -37.417 20.496) 42.961 2.501 ( 5.056 37.417 20.496) 42.961 3.054 ( 2.459 -3.746 -12.166) 12.965 3.054 ( 2.459 3.746 -12.166) 12.965 3.552 ( 1.490 -28.533 0.591) 28.578 3.552 ( 1.490 28.533 0.591) 28.578 3.911 ( 9.097 -17.641 -15.824) 25.384 3.911 ( 9.097 17.641 -15.824) 25.384 4.133 ( -4.003 -7.701 -9.612) 12.951 4.133 ( -4.003 7.701 -9.612) 12.951 4.513 ( -0.700 -6.762 5.591) 8.802 4.513 ( -0.700 6.762 5.591) 8.802 4.903 ( -1.352 -6.496 3.062) 7.308 4.903 ( -1.352 6.496 3.062) 7.308 5.041 ( 3.840 -8.623 6.778) 11.621 5.041 ( 3.840 8.623 6.778) 11.621 5.397 ( 8.941 -2.765 5.000) 10.611 5.397 ( 8.941 2.765 5.000) 10.611 5.606 ( 1.133 -2.810 -4.751) 5.635 5.606 ( 1.133 2.810 -4.751) 5.635 5.774 ( 3.250 -2.871 -5.542) 7.037 5.774 ( 3.250 2.871 -5.542) 7.037 5.983 ( 2.694 -5.593 -0.931) 6.277 5.983 ( 2.694 5.593 -0.931) 6.277 6.159 ( 0.031 -3.367 -1.029) 3.521 6.159 ( 0.031 3.367 -1.029) 3.521 6.227 ( -0.298 -3.191 -0.039) 3.205 6.227 ( -0.298 3.191 -0.039) 3.205 6.331 ( -3.916 -7.988 -1.889) 9.094 6.331 ( -3.916 7.988 -1.889) 9.094 6.515 ( -1.322 -7.806 -2.774) 8.389 6.515 ( -1.322 7.806 -2.774) 8.389 6.779 ( 4.514 -9.219 -4.477) 11.198 6.779 ( 4.514 9.219 -4.477) 11.198 7.096 ( 2.959 -8.937 -0.127) 9.415 7.096 ( 2.959 8.937 -0.127) 9.415 7.347 ( -4.129 -3.299 1.577) 5.515 7.347 ( -4.129 3.299 1.577) 5.515 7.464 ( -4.367 -2.486 2.795) 5.750 7.464 ( -4.367 2.486 2.795) 5.750 7.629 ( -3.681 -4.519 1.965) 6.151 7.629 ( -3.681 4.519 1.965) 6.151 7.848 ( -1.098 -5.185 -5.430) 7.588 7.848 ( -1.098 5.185 -5.430) 7.588 8.108 ( 2.615 -4.228 4.961) 7.023 8.108 ( 2.615 4.228 4.961) 7.023 8.232 ( -3.854 -3.407 -1.015) 5.243 8.232 ( -3.854 3.407 -1.015) 5.243 8.467 ( 1.090 -1.286 -0.058) 1.686 8.467 ( 1.090 1.286 -0.058) 1.686 8.602 ( -7.618 -7.665 5.333) 12.051 8.602 ( -7.618 7.665 5.333) 12.051 8.864 ( -0.055 -6.088 -0.719) 6.131 8.864 ( -0.055 6.088 -0.719) 6.131 9.066 ( -4.796 -4.405 4.782) 8.079 9.066 ( -4.796 4.405 4.782) 8.079 9.241 ( 3.191 -5.889 -0.792) 6.744 9.241 ( 3.191 5.889 -0.792) 6.744 9.348 ( -2.758 -4.972 3.317) 6.582 9.348 ( -2.758 4.972 3.317) 6.582 9.691 ( -4.400 -4.383 4.111) 7.448 9.691 ( -4.400 4.383 4.111) 7.448 9.868 ( -5.612 -3.251 -2.425) 6.924 9.868 ( -5.612 3.251 -2.425) 6.924 9.969 ( 0.548 -1.048 1.905) 2.242 9.969 ( 0.548 1.048 1.905) 2.242 10.208 ( 7.511 -5.041 2.788) 9.465 10.208 ( 7.511 5.041 2.788) 9.465 10.335 ( 0.161 -8.359 -5.454) 9.982 10.335 ( 0.161 8.359 -5.454) 9.982 10.559 ( 2.496 -8.123 -2.100) 8.753 10.559 ( 2.496 8.123 -2.100) 8.753 10.787 ( -0.210 -2.434 -0.075) 2.444 10.787 ( -0.210 2.434 -0.075) 2.444 11.001 ( -1.247 -3.312 -4.215) 5.504 11.001 ( -1.247 3.312 -4.215) 5.504 11.074 ( 1.085 -5.790 3.648) 6.929 11.074 ( 1.085 5.790 3.648) 6.929 11.319 ( -0.819 -2.727 -1.876) 3.410 11.319 ( -0.819 2.727 -1.876) 3.410 11.702 ( 0.444 -7.527 2.697) 8.008 11.702 ( 0.444 7.527 2.697) 8.008 12.021 ( 6.551 -6.181 0.186) 9.008 12.021 ( 6.551 6.181 0.186) 9.008 12.150 ( -3.283 -3.336 0.688) 4.731 12.150 ( -3.283 3.336 0.688) 4.731 12.269 ( 0.688 -3.915 -2.636) 4.770 12.269 ( 0.688 3.915 -2.636) 4.770 12.548 ( -0.917 -6.580 -4.787) 8.189 12.548 ( -0.917 6.580 -4.787) 8.189 12.791 ( -2.801 -4.209 1.358) 5.235 12.791 ( -2.801 4.209 1.358) 5.235 12.967 ( 1.780 -1.915 3.369) 4.265 12.967 ( 1.780 1.915 3.369) 4.265 13.150 ( -1.785 -0.452 -5.178) 5.496 13.150 ( -1.785 0.452 -5.178) 5.496 13.294 ( -0.736 -1.075 0.156) 1.312 13.294 ( -0.736 1.075 0.156) 1.312 13.405 ( 3.142 -2.590 3.834) 5.593 13.405 ( 3.142 2.590 3.834) 5.593 13.578 ( -4.506 -2.995 4.491) 7.031 13.578 ( -4.506 2.995 4.491) 7.031 14.008 ( -4.107 -7.366 -0.856) 8.476 14.008 ( -4.107 7.366 -0.856) 8.476 14.281 ( 5.698 -4.753 0.394) 7.431 14.281 ( 5.698 4.753 0.394) 7.431 14.757 ( 2.781 -10.405 -9.442) 14.323 14.757 ( 2.781 10.405 -9.442) 14.323 15.034 ( -0.323 -0.321 1.998) 2.050 15.034 ( -0.323 0.321 1.998) 2.050 15.380 ( -2.777 -0.383 0.379) 2.829 15.380 ( -2.777 0.383 0.379) 2.829 15.487 ( -2.658 -6.301 8.910) 11.232 15.487 ( -2.658 6.301 8.910) 11.232 15.779 ( 3.389 -1.868 -1.601) 4.188 15.779 ( 3.389 1.868 -1.601) 4.188 15.944 ( 3.705 -1.346 -0.332) 3.955 15.944 ( 3.705 1.346 -0.332) 3.955 16.208 ( 4.871 -1.751 -6.277) 8.136 16.208 ( 4.871 1.751 -6.277) 8.136 16.324 ( 1.272 -4.955 0.485) 5.139 16.324 ( 1.272 4.955 0.485) 5.139 16.514 ( 0.150 -2.450 1.996) 3.164 16.514 ( 0.150 2.450 1.996) 3.164 16.827 ( -2.655 -6.476 2.029) 7.287 16.827 ( -2.655 6.476 2.029) 7.287 17.257 ( 0.642 -1.524 2.258) 2.799 17.257 ( 0.642 1.524 2.258) 2.799 17.328 ( -0.638 -3.140 1.139) 3.401 17.328 ( -0.638 3.140 1.139) 3.401 17.612 ( -4.814 -8.563 -1.427) 9.927 17.612 ( -4.814 8.563 -1.427) 9.927 19.533 ( -2.099 -0.691 2.178) 3.103 19.533 ( -2.099 0.691 2.178) 3.103 19.919 ( -1.359 -7.967 -8.706) 11.879 19.919 ( -1.359 7.967 -8.706) 11.879 21.324 ( 0.952 -0.498 -1.797) 2.094 21.324 ( 0.952 0.498 -1.797) 2.094 21.443 ( -1.313 -2.561 -1.163) 3.104 21.443 ( -1.313 2.561 -1.163) 3.104 22.478 ( -2.794 -8.260 -1.504) 8.848 22.478 ( -2.794 8.260 -1.504) 8.848 22.818 ( -5.200 -7.784 -2.984) 9.825 22.818 ( -5.200 7.784 -2.984) 9.825 24.399 ( 3.534 -2.034 1.304) 4.281 24.399 ( 3.534 2.034 1.304) 4.281 24.575 ( 5.091 -0.663 -4.588) 6.885 24.575 ( 5.091 0.663 -4.588) 6.885 25.414 ( -4.216 -6.002 1.778) 7.547 25.414 ( -4.216 6.002 1.778) 7.547 25.649 ( -4.183 -5.840 2.683) 7.668 25.649 ( -4.183 5.840 2.683) 7.668 26.860 ( -4.189 -2.333 7.590) 8.977 26.860 ( -4.189 2.333 7.590) 8.977 27.227 ( -3.031 -1.624 0.924) 3.561 27.227 ( -3.031 1.624 0.924) 3.561 27.930 ( -0.988 -4.016 3.990) 5.747 27.930 ( -0.988 4.016 3.990) 5.747 28.191 ( 1.750 -4.098 -2.923) 5.329 28.191 ( 1.750 4.098 -2.923) 5.329 28.818 ( -7.427 -2.677 -0.046) 7.895 28.818 ( -7.427 2.677 -0.046) 7.895 29.062 ( -1.964 -3.919 0.063) 4.384 29.062 ( -1.964 3.919 0.063) 4.384 29.346 ( 14.831 -3.770 0.460) 15.309 29.346 ( 14.831 3.770 0.460) 15.309 29.625 ( 14.833 -3.841 3.201) 15.653 29.625 ( 14.833 3.841 3.201) 15.653 30.697 ( -1.213 -3.751 -2.660) 4.756 30.697 ( -1.213 3.751 -2.660) 4.756 31.102 ( 8.967 -4.539 1.716) 10.196 31.102 ( 8.967 4.539 1.716) 10.196 32.015 ( -0.475 -9.370 3.172) 9.904 32.015 ( -0.475 9.370 3.172) 9.904 32.380 ( -0.143 -4.134 -7.074) 8.195 32.380 ( -0.143 4.134 -7.074) 8.195 32.745 ( -0.520 -4.314 2.020) 4.792 32.745 ( -0.520 4.314 2.020) 4.792 33.056 ( -8.444 -4.015 -8.255) 12.473 33.056 ( -8.444 4.015 -8.255) 12.473 99.252 ( 0.199 -1.496 -0.679) 1.655 99.252 ( 0.199 1.496 -0.679) 1.655 99.457 ( -1.974 -0.501 1.015) 2.276 99.457 ( -1.974 0.501 1.015) 2.276 102.324 ( -2.623 -1.927 1.601) 3.627 102.324 ( -2.623 1.927 1.601) 3.627 102.558 ( -0.234 -4.364 0.821) 4.447 102.558 ( -0.234 4.364 0.821) 4.447 107.350 ( 0.462 -0.146 0.622) 0.789 107.350 ( 0.462 0.146 0.622) 0.789 107.430 ( -0.539 -0.219 -2.082) 2.162 107.430 ( -0.539 0.219 -2.082) 2.162 109.312 ( 0.058 -0.040 -0.242) 0.252 109.312 ( 0.058 0.040 -0.242) 0.252 109.364 ( 0.881 -1.224 0.235) 1.526 109.364 ( 0.881 1.224 0.235) 1.526 ======================= Grid point 79 (41/78) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 14.904 -17.792 9.299) 25.003 2.491 ( 14.904 17.792 9.299) 25.003 2.775 ( 7.611 -22.628 17.466) 29.581 2.775 ( 7.611 22.628 17.466) 29.581 3.171 ( 16.575 -6.342 -7.441) 19.244 3.171 ( 16.575 6.342 -7.441) 19.244 3.668 ( 7.675 -8.028 0.237) 11.109 3.668 ( 7.675 8.028 0.237) 11.109 3.874 ( 2.134 -3.783 -12.210) 12.959 3.874 ( 2.134 3.783 -12.210) 12.959 4.103 ( 11.296 -13.696 -13.534) 22.323 4.103 ( 11.296 13.696 -13.534) 22.323 4.496 ( -4.345 -7.932 3.522) 9.705 4.496 ( -4.345 7.932 3.522) 9.705 4.907 ( 0.398 -10.653 4.720) 11.658 4.907 ( 0.398 10.653 4.720) 11.658 5.141 ( -0.519 -7.650 6.473) 10.034 5.141 ( -0.519 7.650 6.473) 10.034 5.488 ( -0.789 -4.502 -7.235) 8.558 5.488 ( -0.789 4.502 -7.235) 8.558 5.639 ( -1.750 -4.021 8.370) 9.449 5.639 ( -1.750 4.021 8.370) 9.449 5.816 ( 7.272 -8.282 -6.942) 13.025 5.816 ( 7.272 8.282 -6.942) 13.025 6.020 ( -4.622 -7.471 6.733) 11.068 6.020 ( -4.622 7.471 6.733) 11.068 6.140 ( 0.989 -6.990 -1.412) 7.200 6.140 ( 0.989 6.990 -1.412) 7.200 6.204 ( -1.473 -6.909 -4.284) 8.262 6.204 ( -1.473 6.909 -4.284) 8.262 6.282 ( 5.837 -5.833 -5.011) 9.654 6.282 ( 5.837 5.833 -5.011) 9.654 6.504 ( 1.462 -10.624 0.417) 10.732 6.504 ( 1.462 10.624 0.417) 10.732 6.854 ( 6.439 -2.434 -3.290) 7.630 6.854 ( 6.439 2.434 -3.290) 7.630 7.058 ( -6.828 -7.575 0.707) 10.223 7.058 ( -6.828 7.575 0.707) 10.223 7.249 ( -6.623 -6.178 2.073) 9.291 7.249 ( -6.623 6.178 2.073) 9.291 7.467 ( -1.718 -2.482 3.873) 4.910 7.467 ( -1.718 2.482 3.873) 4.910 7.615 ( 1.985 -4.546 -2.296) 5.467 7.615 ( 1.985 4.546 -2.296) 5.467 7.784 ( -1.478 -5.662 0.128) 5.853 7.784 ( -1.478 5.662 0.128) 5.853 8.072 ( -8.164 -5.821 2.110) 10.247 8.072 ( -8.164 5.821 2.110) 10.247 8.222 ( 2.609 -0.576 0.700) 2.762 8.222 ( 2.609 0.576 0.700) 2.762 8.454 ( -7.193 -1.342 1.625) 7.495 8.454 ( -7.193 1.342 1.625) 7.495 8.506 ( -0.319 -4.364 0.124) 4.378 8.506 ( -0.319 4.364 0.124) 4.378 8.849 ( -1.451 -9.626 0.454) 9.746 8.849 ( -1.451 9.626 0.454) 9.746 9.059 ( 0.431 -4.370 2.155) 4.891 9.059 ( 0.431 4.370 2.155) 4.891 9.268 ( 0.782 -3.049 -0.579) 3.200 9.268 ( 0.782 3.049 -0.579) 3.200 9.350 ( -0.770 -2.396 4.125) 4.832 9.350 ( -0.770 2.396 4.125) 4.832 9.606 ( -5.985 -0.774 -1.071) 6.129 9.606 ( -5.985 0.774 -1.071) 6.129 9.748 ( -2.290 -4.439 0.752) 5.051 9.748 ( -2.290 4.439 0.752) 5.051 10.021 ( 1.183 -3.885 0.827) 4.144 10.021 ( 1.183 3.885 0.827) 4.144 10.260 ( -3.493 -7.690 -4.612) 9.624 10.260 ( -3.493 7.690 -4.612) 9.624 10.346 ( 5.055 -9.973 -2.572) 11.474 10.346 ( 5.055 9.973 -2.572) 11.474 10.535 ( -1.788 -7.377 3.010) 8.165 10.535 ( -1.788 7.377 3.010) 8.165 10.743 ( -3.615 -6.141 -2.416) 7.525 10.743 ( -3.615 6.141 -2.416) 7.525 10.956 ( 1.305 -4.402 -3.185) 5.588 10.956 ( 1.305 4.402 -3.185) 5.588 11.176 ( 1.100 -6.643 3.473) 7.576 11.176 ( 1.100 6.643 3.473) 7.576 11.287 ( 2.973 -2.898 -2.105) 4.655 11.287 ( 2.973 2.898 -2.105) 4.655 11.785 ( 3.929 -8.321 2.250) 9.473 11.785 ( 3.929 8.321 2.250) 9.473 12.018 ( -6.309 -6.845 1.417) 9.417 12.018 ( -6.309 6.845 1.417) 9.417 12.115 ( 0.153 -6.510 -1.974) 6.804 12.115 ( 0.153 6.510 -1.974) 6.804 12.298 ( 2.574 -4.782 -0.123) 5.433 12.298 ( 2.574 4.782 -0.123) 5.433 12.537 ( 2.816 -5.064 -1.686) 6.035 12.537 ( 2.816 5.064 -1.686) 6.035 12.690 ( -7.799 -4.827 1.913) 9.369 12.690 ( -7.799 4.827 1.913) 9.369 12.961 ( -4.830 -1.146 -2.850) 5.724 12.961 ( -4.830 1.146 -2.850) 5.724 13.105 ( 3.070 -2.179 -3.724) 5.295 13.105 ( 3.070 2.179 -3.724) 5.295 13.285 ( 2.258 -4.779 -0.763) 5.340 13.285 ( 2.258 4.779 -0.763) 5.340 13.517 ( 0.146 -2.982 6.510) 7.162 13.517 ( 0.146 2.982 6.510) 7.162 13.625 ( 4.717 -0.696 3.730) 6.054 13.625 ( 4.717 0.696 3.730) 6.054 13.956 ( -1.398 -4.569 3.456) 5.897 13.956 ( -1.398 4.569 3.456) 5.897 14.314 ( 0.133 -1.662 -5.897) 6.128 14.314 ( 0.133 1.662 -5.897) 6.128 14.762 ( 4.325 -9.516 -5.192) 11.671 14.762 ( 4.325 9.516 -5.192) 11.671 15.072 ( 1.712 -4.081 3.208) 5.466 15.072 ( 1.712 4.081 3.208) 5.466 15.288 ( -4.754 -2.414 -0.823) 5.395 15.288 ( -4.754 2.414 -0.823) 5.395 15.476 ( -4.554 -5.251 6.065) 9.225 15.476 ( -4.554 5.251 6.065) 9.225 15.827 ( 1.749 -1.816 -0.919) 2.683 15.827 ( 1.749 1.816 -0.919) 2.683 15.983 ( -0.633 -2.677 2.556) 3.755 15.983 ( -0.633 2.677 2.556) 3.755 16.244 ( 3.227 -3.131 -5.350) 6.988 16.244 ( 3.227 3.131 -5.350) 6.988 16.398 ( 6.598 -3.510 -2.706) 7.948 16.398 ( 6.598 3.510 -2.706) 7.948 16.547 ( 2.666 -3.757 -1.022) 4.719 16.547 ( 2.666 3.757 -1.022) 4.719 16.802 ( -0.395 -4.934 0.554) 4.981 16.802 ( -0.395 4.934 0.554) 4.981 17.223 ( -4.592 -1.750 -0.438) 4.934 17.223 ( -4.592 1.750 -0.438) 4.934 17.355 ( -0.363 -6.604 3.268) 7.377 17.355 ( -0.363 6.604 3.268) 7.377 17.529 ( -2.088 -5.643 1.378) 6.173 17.529 ( -2.088 5.643 1.378) 6.173 19.492 ( -3.333 -1.758 1.542) 4.072 19.492 ( -3.333 1.758 1.542) 4.072 19.855 ( 0.271 -6.617 -4.520) 8.018 19.855 ( 0.271 6.617 -4.520) 8.018 21.284 ( -0.902 -3.406 -3.632) 5.060 21.284 ( -0.902 3.406 -3.632) 5.060 21.448 ( 0.042 -1.778 1.607) 2.396 21.448 ( 0.042 1.778 1.607) 2.396 22.415 ( -2.741 -6.102 0.109) 6.691 22.415 ( -2.741 6.102 0.109) 6.691 22.694 ( -5.788 -6.361 -1.136) 8.675 22.694 ( -5.788 6.361 -1.136) 8.675 24.490 ( 4.393 -1.159 1.106) 4.676 24.490 ( 4.393 1.159 1.106) 4.676 24.649 ( 5.990 -1.508 -3.789) 7.247 24.649 ( 5.990 1.508 -3.789) 7.247 25.338 ( -5.220 -7.387 2.166) 9.301 25.338 ( -5.220 7.387 2.166) 9.301 25.584 ( -4.112 -6.131 1.308) 7.497 25.584 ( -4.112 6.131 1.308) 7.497 26.837 ( -3.631 -1.312 5.014) 6.328 26.837 ( -3.631 1.312 5.014) 6.328 27.166 ( -3.990 -0.389 1.074) 4.151 27.166 ( -3.990 0.389 1.074) 4.151 27.944 ( -1.546 -3.019 4.699) 5.795 27.944 ( -1.546 3.019 4.699) 5.795 28.158 ( -2.018 -4.588 -4.843) 6.970 28.158 ( -2.018 4.588 -4.843) 6.970 28.684 ( -5.889 -4.065 0.011) 7.156 28.684 ( -5.889 4.065 0.011) 7.156 29.007 ( -2.296 -3.176 -1.238) 4.110 29.007 ( -2.296 3.176 -1.238) 4.110 29.628 ( 13.820 -1.464 1.710) 14.002 29.628 ( 13.820 1.464 1.710) 14.002 29.944 ( 14.422 -4.906 -0.795) 15.254 29.944 ( 14.422 4.906 -0.795) 15.254 30.708 ( 4.243 -4.738 -1.646) 6.569 30.708 ( 4.243 4.738 -1.646) 6.569 31.295 ( 9.256 -2.420 1.074) 9.628 31.295 ( 9.256 2.420 1.074) 9.628 32.035 ( -0.196 -7.366 3.445) 8.134 32.035 ( -0.196 7.366 3.445) 8.134 32.320 ( -0.586 -3.886 -5.736) 6.954 32.320 ( -0.586 3.886 -5.736) 6.954 32.739 ( -1.715 -0.854 0.217) 1.928 32.739 ( -1.715 0.854 0.217) 1.928 32.859 ( -6.569 -3.313 -1.608) 7.531 32.859 ( -6.569 3.313 -1.608) 7.531 99.252 ( 0.349 -1.196 -0.467) 1.331 99.252 ( 0.349 1.196 -0.467) 1.331 99.430 ( -1.846 -1.263 1.210) 2.543 99.430 ( -1.846 1.263 1.210) 2.543 102.295 ( -1.818 -1.032 1.509) 2.579 102.295 ( -1.818 1.032 1.509) 2.579 102.550 ( -1.206 -3.469 0.533) 3.711 102.550 ( -1.206 3.469 0.533) 3.711 107.354 ( -0.049 -0.675 -0.390) 0.782 107.354 ( -0.049 0.675 -0.390) 0.782 107.422 ( 0.568 -0.722 -0.173) 0.935 107.422 ( 0.568 0.722 -0.173) 0.935 109.312 ( 0.175 -0.203 -0.212) 0.342 109.312 ( 0.175 0.203 -0.212) 0.342 109.380 ( 0.742 -1.395 -0.067) 1.581 109.380 ( 0.742 1.395 -0.067) 1.581 ======================= Grid point 81 (42/78) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 14.059 -12.098 6.247) 19.572 2.835 ( 14.059 12.098 6.247) 19.572 3.071 ( 13.684 -7.238 2.763) 15.725 3.071 ( 13.684 7.238 2.763) 15.725 3.465 ( 11.483 -9.615 2.564) 15.195 3.465 ( 11.483 9.615 2.564) 15.195 3.705 ( 1.527 -3.478 1.446) 4.064 3.705 ( 1.527 3.478 1.446) 4.064 3.958 ( 15.028 -2.603 -13.554) 20.404 3.958 ( 15.028 2.603 -13.554) 20.404 4.285 ( 15.174 -7.713 -8.786) 19.156 4.285 ( 15.174 7.713 -8.786) 19.156 4.443 ( -1.116 -8.076 -0.760) 8.188 4.443 ( -1.116 8.076 -0.760) 8.188 4.982 ( 1.579 -8.402 5.574) 10.206 4.982 ( 1.579 8.402 5.574) 10.206 5.173 ( -2.585 -8.551 9.118) 12.765 5.173 ( -2.585 8.551 9.118) 12.765 5.360 ( -5.707 -4.771 -6.616) 9.955 5.360 ( -5.707 4.771 -6.616) 9.955 5.531 ( -9.629 -7.604 3.743) 12.827 5.531 ( -9.629 7.604 3.743) 12.827 5.838 ( -4.818 -5.728 0.863) 7.534 5.838 ( -4.818 5.728 0.863) 7.534 6.014 ( -0.490 -8.588 -2.809) 9.049 6.014 ( -0.490 8.588 -2.809) 9.049 6.139 ( 6.822 -3.366 -1.420) 7.739 6.139 ( 6.822 3.366 -1.420) 7.739 6.250 ( 4.923 -1.981 -2.333) 5.797 6.250 ( 4.923 1.981 -2.333) 5.797 6.322 ( -0.131 -5.193 -1.833) 5.509 6.322 ( -0.131 5.193 -1.833) 5.509 6.578 ( 3.248 -5.952 3.349) 7.563 6.578 ( 3.248 5.952 3.349) 7.563 6.836 ( -11.506 -6.824 6.425) 14.840 6.836 ( -11.506 6.824 6.425) 14.840 7.018 ( 6.381 -1.388 -7.170) 9.698 7.018 ( 6.381 1.388 -7.170) 9.698 7.119 ( -8.549 -2.624 4.034) 9.810 7.119 ( -8.549 2.624 4.034) 9.810 7.431 ( -1.826 -2.253 -0.551) 2.952 7.431 ( -1.826 2.253 -0.551) 2.952 7.614 ( 0.278 -2.654 -2.185) 3.449 7.614 ( 0.278 2.654 -2.185) 3.449 7.800 ( 0.315 -5.735 -0.833) 5.804 7.800 ( 0.315 5.735 -0.833) 5.804 7.978 ( -1.365 -5.051 1.841) 5.547 7.978 ( -1.365 5.051 1.841) 5.547 8.219 ( -2.355 -4.147 -3.021) 5.646 8.219 ( -2.355 4.147 -3.021) 5.646 8.356 ( -3.851 -0.248 5.027) 6.337 8.356 ( -3.851 0.248 5.027) 6.337 8.548 ( 4.395 -6.185 -0.320) 7.594 8.548 ( 4.395 6.185 -0.320) 7.594 8.818 ( -2.428 -8.596 0.710) 8.960 8.818 ( -2.428 8.596 0.710) 8.960 9.084 ( 0.437 -0.171 1.639) 1.705 9.084 ( 0.437 0.171 1.639) 1.705 9.248 ( -4.482 -7.055 1.008) 8.419 9.248 ( -4.482 7.055 1.008) 8.419 9.362 ( -1.087 -2.254 3.495) 4.298 9.362 ( -1.087 2.254 3.495) 4.298 9.527 ( 1.222 -8.155 -3.542) 8.974 9.527 ( 1.222 8.155 -3.542) 8.974 9.757 ( 1.296 -1.808 -1.219) 2.537 9.757 ( 1.296 1.808 -1.219) 2.537 9.978 ( -4.993 -4.392 -2.070) 6.965 9.978 ( -4.993 4.392 -2.070) 6.965 10.170 ( -1.216 -6.903 -1.616) 7.193 10.170 ( -1.216 6.903 -1.616) 7.193 10.384 ( 1.046 -9.204 -0.630) 9.285 10.384 ( 1.046 9.204 -0.630) 9.285 10.569 ( 1.792 -11.058 1.079) 11.254 10.569 ( 1.792 11.058 1.079) 11.254 10.649 ( -1.777 -6.415 -2.295) 7.041 10.649 ( -1.777 6.415 -2.295) 7.041 10.959 ( -1.077 -2.237 0.906) 2.643 10.959 ( -1.077 2.237 0.906) 2.643 11.172 ( -0.551 -3.241 -0.595) 3.341 11.172 ( -0.551 3.241 -0.595) 3.341 11.387 ( 4.739 -6.508 1.185) 8.137 11.387 ( 4.739 6.508 1.185) 8.137 11.787 ( -3.781 -8.877 -0.865) 9.687 11.787 ( -3.781 8.877 -0.865) 9.687 11.971 ( -2.612 -6.876 4.878) 8.826 11.971 ( -2.612 6.876 4.878) 8.826 12.065 ( -0.981 -1.511 -2.736) 3.276 12.065 ( -0.981 1.511 -2.736) 3.276 12.321 ( -1.797 -4.881 -0.303) 5.210 12.321 ( -1.797 4.881 -0.303) 5.210 12.551 ( -6.081 -8.578 2.003) 10.704 12.551 ( -6.081 8.578 2.003) 10.704 12.629 ( 6.195 -1.643 -0.098) 6.410 12.629 ( 6.195 1.643 -0.098) 6.410 12.859 ( -0.641 -2.644 -5.508) 6.143 12.859 ( -0.641 2.644 -5.508) 6.143 13.130 ( 2.487 -0.443 -5.006) 5.607 13.130 ( 2.487 0.443 -5.006) 5.607 13.349 ( 2.851 -7.309 1.730) 8.034 13.349 ( 2.851 7.309 1.730) 8.034 13.511 ( -2.303 -4.419 0.499) 5.008 13.511 ( -2.303 4.419 0.499) 5.008 13.736 ( 2.092 -4.841 3.843) 6.526 13.736 ( 2.092 4.841 3.843) 6.526 13.994 ( -0.596 -0.729 6.064) 6.137 13.994 ( -0.596 0.729 6.064) 6.137 14.293 ( 3.953 -1.007 -1.913) 4.506 14.293 ( 3.953 1.007 -1.913) 4.506 14.789 ( 1.675 -4.508 -4.625) 6.672 14.789 ( 1.675 4.508 -4.625) 6.672 15.121 ( 0.228 -3.451 2.372) 4.194 15.121 ( 0.228 3.451 2.372) 4.194 15.227 ( -1.322 -5.995 0.499) 6.160 15.227 ( -1.322 5.995 0.499) 6.160 15.429 ( -2.991 -3.139 2.019) 4.783 15.429 ( -2.991 3.139 2.019) 4.783 15.810 ( -1.709 -3.286 -2.557) 4.501 15.810 ( -1.709 3.286 -2.557) 4.501 16.015 ( 1.261 -0.352 4.770) 4.946 16.015 ( 1.261 0.352 4.770) 4.946 16.243 ( 0.734 -4.151 -3.469) 5.459 16.243 ( 0.734 4.151 -3.469) 5.459 16.464 ( 2.959 -1.833 -3.542) 4.966 16.464 ( 2.959 1.833 -3.542) 4.966 16.604 ( 3.826 -4.770 -0.496) 6.135 16.604 ( 3.826 4.770 -0.496) 6.135 16.836 ( 4.185 -3.355 -2.051) 5.743 16.836 ( 4.185 3.355 -2.051) 5.743 17.097 ( -6.733 -1.319 -1.154) 6.957 17.097 ( -6.733 1.319 -1.154) 6.957 17.356 ( -1.303 -7.924 2.073) 8.294 17.356 ( -1.303 7.924 2.073) 8.294 17.544 ( -0.425 -0.775 4.150) 4.244 17.544 ( -0.425 0.775 4.150) 4.244 19.444 ( -2.696 -2.159 0.839) 3.554 19.444 ( -2.696 2.159 0.839) 3.554 19.838 ( 0.526 -2.211 -1.761) 2.875 19.838 ( 0.526 2.211 -1.761) 2.875 21.260 ( 0.702 -2.123 -1.715) 2.818 21.260 ( 0.702 2.123 -1.715) 2.818 21.446 ( -1.346 -2.031 1.116) 2.680 21.446 ( -1.346 2.031 1.116) 2.680 22.381 ( -1.651 -6.551 1.680) 6.962 22.381 ( -1.651 6.551 1.680) 6.962 22.579 ( -5.069 -7.264 -1.180) 8.936 22.579 ( -5.069 7.264 -1.180) 8.936 24.571 ( 3.076 -0.703 0.820) 3.260 24.571 ( 3.076 0.703 0.820) 3.260 24.730 ( 5.242 -2.576 -2.981) 6.558 24.730 ( 5.242 2.576 -2.981) 6.558 25.261 ( -4.525 -7.073 2.144) 8.666 25.261 ( -4.525 7.073 2.144) 8.666 25.520 ( -2.895 -5.366 -0.084) 6.097 25.520 ( -2.895 5.366 -0.084) 6.097 26.802 ( -2.920 -0.915 1.290) 3.321 26.802 ( -2.920 0.915 1.290) 3.321 27.103 ( -3.572 -0.801 1.680) 4.028 27.103 ( -3.572 0.801 1.680) 4.028 27.937 ( -2.647 -1.128 1.601) 3.293 27.937 ( -2.647 1.128 1.601) 3.293 28.070 ( -2.387 -3.137 -2.246) 4.537 28.070 ( -2.387 3.137 -2.246) 4.537 28.590 ( -5.131 -3.611 2.237) 6.661 28.590 ( -5.131 3.611 2.237) 6.661 28.963 ( -0.829 -3.397 -2.027) 4.042 28.963 ( -0.829 3.397 -2.027) 4.042 29.887 ( 10.964 -2.970 1.421) 11.448 29.887 ( 10.964 2.970 1.421) 11.448 30.141 ( 8.505 -1.368 -2.745) 9.041 30.141 ( 8.505 1.368 -2.745) 9.041 30.811 ( 6.493 -5.416 -0.627) 8.479 30.811 ( 6.493 5.416 -0.627) 8.479 31.453 ( 6.444 -0.843 0.298) 6.505 31.453 ( 6.444 0.843 0.298) 6.505 32.070 ( 0.639 -3.669 3.690) 5.243 32.070 ( 0.639 3.669 3.690) 5.243 32.259 ( -1.653 -1.625 -3.286) 4.021 32.259 ( -1.653 1.625 -3.286) 4.021 32.661 ( -4.205 -1.836 -1.889) 4.962 32.661 ( -4.205 1.836 -1.889) 4.962 32.807 ( -0.584 -3.116 1.876) 3.684 32.807 ( -0.584 3.116 1.876) 3.684 99.257 ( 0.380 -0.880 -0.111) 0.965 99.257 ( 0.380 0.880 -0.111) 0.965 99.406 ( -1.512 -1.219 0.697) 2.064 99.406 ( -1.512 1.219 0.697) 2.064 102.278 ( -1.310 -0.761 1.396) 2.060 102.278 ( -1.310 0.761 1.396) 2.060 102.524 ( -1.535 -1.951 -0.203) 2.491 102.524 ( -1.535 1.951 -0.203) 2.491 107.351 ( 0.140 -0.564 -0.288) 0.649 107.351 ( 0.140 0.564 -0.288) 0.649 107.435 ( 0.589 -0.809 0.192) 1.019 107.435 ( 0.589 0.809 0.192) 1.019 109.315 ( 0.283 -0.284 -0.010) 0.401 109.315 ( 0.283 0.284 -0.010) 0.401 109.391 ( 0.536 -1.293 -0.236) 1.420 109.391 ( 0.536 1.293 -0.236) 1.420 ======================= Grid point 83 (43/78) ======================= q-point: ( 0.40 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 8.450 -4.812 2.047) 9.937 3.095 ( 8.450 4.812 2.047) 9.937 3.297 ( 6.478 -7.430 -0.682) 9.881 3.297 ( 6.478 7.430 -0.682) 9.881 3.576 ( 4.854 -11.036 4.324) 12.809 3.576 ( 4.854 11.036 4.324) 12.809 3.877 ( 8.094 -8.902 0.800) 12.058 3.877 ( 8.094 8.902 0.800) 12.058 4.152 ( 15.505 -4.327 -12.048) 20.107 4.152 ( 15.505 4.327 -12.048) 20.107 4.351 ( -0.615 -10.637 -1.005) 10.702 4.351 ( -0.615 10.637 -1.005) 10.702 4.571 ( 13.667 -6.160 -7.628) 16.820 4.571 ( 13.667 6.160 -7.628) 16.820 4.990 ( -8.181 -5.249 3.693) 10.398 4.990 ( -8.181 5.249 3.693) 10.398 5.097 ( -5.335 -2.592 3.362) 6.818 5.097 ( -5.335 2.592 3.362) 6.818 5.249 ( -2.957 -10.847 0.652) 11.262 5.249 ( -2.957 10.847 0.652) 11.262 5.489 ( -1.408 -5.011 8.265) 9.767 5.489 ( -1.408 5.011 8.265) 9.767 5.763 ( -3.993 -2.803 0.478) 4.903 5.763 ( -3.993 2.803 0.478) 4.903 5.959 ( 2.254 -4.837 -4.983) 7.301 5.959 ( 2.254 4.837 -4.983) 7.301 6.156 ( -6.156 -4.661 -0.882) 7.772 6.156 ( -6.156 4.661 -0.882) 7.772 6.287 ( 2.426 -11.155 -1.072) 11.466 6.287 ( 2.426 11.155 -1.072) 11.466 6.402 ( 8.944 -6.056 -5.333) 12.047 6.402 ( 8.944 6.056 -5.333) 12.047 6.571 ( -8.076 -1.479 2.633) 8.622 6.571 ( -8.076 1.479 2.633) 8.622 6.713 ( -4.662 -2.931 6.857) 8.795 6.713 ( -4.662 2.931 6.857) 8.795 6.910 ( -8.216 -2.374 2.090) 8.804 6.910 ( -8.216 2.374 2.090) 8.804 7.148 ( 5.197 -3.274 -3.527) 7.083 7.148 ( 5.197 3.274 -3.527) 7.083 7.434 ( 1.392 -1.128 1.132) 2.119 7.434 ( 1.392 1.128 1.132) 2.119 7.606 ( -1.531 -1.377 2.860) 3.525 7.606 ( -1.531 1.377 2.860) 3.525 7.761 ( 2.409 -5.563 -10.097) 11.777 7.761 ( 2.409 5.563 -10.097) 11.777 8.036 ( 3.014 -4.346 2.960) 6.061 8.036 ( 3.014 4.346 2.960) 6.061 8.133 ( -5.410 -5.100 2.505) 7.845 8.133 ( -5.410 5.100 2.505) 7.845 8.363 ( -0.049 -1.800 2.865) 3.383 8.363 ( -0.049 1.800 2.865) 3.383 8.615 ( 0.237 -4.367 0.202) 4.378 8.615 ( 0.237 4.367 0.202) 4.378 8.788 ( 2.535 -3.077 -3.698) 5.438 8.788 ( 2.535 3.077 -3.698) 5.438 9.102 ( -0.563 -2.127 1.734) 2.802 9.102 ( -0.563 2.127 1.734) 2.802 9.141 ( -4.973 -3.820 -0.355) 6.281 9.141 ( -4.973 3.820 -0.355) 6.281 9.383 ( 0.465 -2.811 3.305) 4.363 9.383 ( 0.465 2.811 3.305) 4.363 9.567 ( 3.231 -6.415 -0.305) 7.190 9.567 ( 3.231 6.415 -0.305) 7.190 9.708 ( -2.500 -3.592 -5.614) 7.118 9.708 ( -2.500 3.592 -5.614) 7.118 9.876 ( -2.185 -4.741 -4.539) 6.918 9.876 ( -2.185 4.741 -4.539) 6.918 10.178 ( 0.041 -8.044 2.802) 8.518 10.178 ( 0.041 8.044 2.802) 8.518 10.384 ( -0.934 -9.255 2.914) 9.748 10.384 ( -0.934 9.255 2.914) 9.748 10.590 ( 2.185 -10.330 -2.693) 10.896 10.590 ( 2.185 10.330 -2.693) 10.896 10.685 ( 4.173 -1.061 1.614) 4.598 10.685 ( 4.173 1.061 1.614) 4.598 10.924 ( -4.148 -2.936 3.560) 6.205 10.924 ( -4.148 2.936 3.560) 6.205 11.158 ( -0.108 -4.617 -1.586) 4.883 11.158 ( -0.108 4.617 -1.586) 4.883 11.429 ( -0.653 -3.712 -1.385) 4.016 11.429 ( -0.653 3.712 -1.385) 4.016 11.729 ( -1.784 -7.990 1.520) 8.327 11.729 ( -1.784 7.990 1.520) 8.327 11.912 ( -3.969 -3.785 0.845) 5.549 11.912 ( -3.969 3.785 0.845) 5.549 12.084 ( 1.794 -6.917 0.861) 7.197 12.084 ( 1.794 6.917 0.861) 7.197 12.212 ( -6.276 -8.776 -1.938) 10.961 12.212 ( -6.276 8.776 -1.938) 10.961 12.515 ( -0.681 -7.029 2.198) 7.396 12.515 ( -0.681 7.029 2.198) 7.396 12.742 ( 5.812 -0.857 -2.689) 6.461 12.742 ( 5.812 0.857 -2.689) 6.461 12.839 ( 1.794 -3.642 -3.512) 5.368 12.839 ( 1.794 3.642 -3.512) 5.368 13.105 ( 0.576 -0.275 -7.376) 7.404 13.105 ( 0.576 0.275 -7.376) 7.404 13.404 ( 0.906 -6.608 3.998) 7.777 13.404 ( 0.906 6.608 3.998) 7.777 13.490 ( 0.629 -7.968 -1.353) 8.106 13.490 ( 0.629 7.968 -1.353) 8.106 13.765 ( -0.616 -6.240 1.997) 6.580 13.765 ( -0.616 6.240 1.997) 6.580 14.028 ( -0.867 -1.483 5.639) 5.895 14.028 ( -0.867 1.483 5.639) 5.895 14.396 ( 3.593 -4.871 2.017) 6.380 14.396 ( 3.593 4.871 2.017) 6.380 14.747 ( -1.037 -2.235 -3.748) 4.486 14.747 ( -1.037 2.235 -3.748) 4.486 15.136 ( -0.797 -3.061 2.418) 3.982 15.136 ( -0.797 3.061 2.418) 3.982 15.223 ( 0.163 -5.241 2.261) 5.710 15.223 ( 0.163 5.241 2.261) 5.710 15.413 ( 0.454 -1.896 -1.240) 2.311 15.413 ( 0.454 1.896 -1.240) 2.311 15.745 ( -2.467 -3.331 -2.096) 4.645 15.745 ( -2.467 3.331 -2.096) 4.645 16.085 ( 0.878 -0.532 4.448) 4.565 16.085 ( 0.878 0.532 4.448) 4.565 16.223 ( 0.360 -4.999 -2.669) 5.678 16.223 ( 0.360 4.999 -2.669) 5.678 16.491 ( 3.102 -3.598 -2.259) 5.261 16.491 ( 3.102 3.598 -2.259) 5.261 16.668 ( 2.848 -3.951 -0.199) 4.874 16.668 ( 2.848 3.951 -0.199) 4.874 16.873 ( -0.895 -1.366 -0.758) 1.801 16.873 ( -0.895 1.366 -0.758) 1.801 17.002 ( -0.282 -2.561 -1.769) 3.126 17.002 ( -0.282 2.561 -1.769) 3.126 17.349 ( -0.351 -7.608 0.139) 7.618 17.349 ( -0.351 7.608 0.139) 7.618 17.551 ( -2.446 -3.122 3.595) 5.354 17.551 ( -2.446 3.122 3.595) 5.354 19.402 ( -1.859 -3.136 -0.635) 3.700 19.402 ( -1.859 3.136 -0.635) 3.700 19.847 ( 0.882 -1.284 0.750) 1.729 19.847 ( 0.882 1.284 0.750) 1.729 21.275 ( 1.386 -0.656 0.086) 1.536 21.275 ( 1.386 0.656 0.086) 1.536 21.421 ( -1.704 -1.822 0.412) 2.528 21.421 ( -1.704 1.822 0.412) 2.528 22.372 ( -1.241 -10.904 1.890) 11.136 22.372 ( -1.241 10.904 1.890) 11.136 22.490 ( -2.698 -11.642 -1.304) 12.021 22.490 ( -2.698 11.642 -1.304) 12.021 24.620 ( 1.381 -0.819 0.870) 1.826 24.620 ( 1.381 0.819 0.870) 1.826 24.791 ( 3.363 -3.086 -2.589) 5.248 24.791 ( 3.363 3.086 -2.589) 5.248 25.206 ( -2.871 -5.229 1.782) 6.226 25.206 ( -2.871 5.229 1.782) 6.226 25.476 ( -1.361 -3.617 -0.723) 3.932 25.476 ( -1.361 3.617 -0.723) 3.932 26.748 ( -2.091 -1.083 -2.326) 3.310 26.748 ( -2.091 1.083 -2.326) 3.310 27.063 ( -2.263 -0.989 2.204) 3.310 27.063 ( -2.263 0.989 2.204) 3.310 27.869 ( -2.405 -2.258 -3.869) 5.085 27.869 ( -2.405 2.258 -3.869) 5.085 28.059 ( -0.355 -1.847 4.296) 4.690 28.059 ( -0.355 1.847 4.296) 4.690 28.529 ( -3.793 -2.213 4.024) 5.956 28.529 ( -3.793 2.213 4.024) 5.956 28.940 ( 0.415 -3.449 -2.562) 4.317 28.940 ( 0.415 3.449 -2.562) 4.317 30.050 ( 5.521 -1.157 -0.355) 5.652 30.050 ( 5.521 1.157 -0.355) 5.652 30.245 ( 4.299 -2.035 -1.376) 4.951 30.245 ( 4.299 2.035 -1.376) 4.951 30.914 ( 4.430 -5.133 -0.982) 6.851 30.914 ( 4.430 5.133 -0.982) 6.851 31.544 ( 2.930 -1.033 -0.175) 3.112 31.544 ( 2.930 1.033 -0.175) 3.112 32.107 ( -0.304 -2.114 3.332) 3.958 32.107 ( -0.304 2.114 3.332) 3.958 32.215 ( -0.525 -2.476 -1.357) 2.872 32.215 ( -0.525 2.476 -1.357) 2.872 32.591 ( -1.818 -2.627 -0.120) 3.197 32.591 ( -1.818 2.627 -0.120) 3.197 32.815 ( -0.034 -1.107 0.067) 1.109 32.815 ( -0.034 1.107 0.067) 1.109 99.264 ( 0.328 -0.640 0.317) 0.786 99.264 ( 0.328 0.640 0.317) 0.786 99.384 ( -1.034 -0.868 -0.068) 1.352 99.384 ( -1.034 0.868 -0.068) 1.352 102.268 ( -0.891 -0.524 1.339) 1.691 102.268 ( -0.891 0.524 1.339) 1.691 102.494 ( -0.986 -0.658 -0.920) 1.501 102.494 ( -0.986 0.658 -0.920) 1.501 107.355 ( 0.257 -0.321 0.247) 0.480 107.355 ( 0.257 0.321 0.247) 0.480 107.443 ( 0.238 -0.570 -0.180) 0.643 107.443 ( 0.238 0.570 -0.180) 0.643 109.321 ( 0.211 -0.280 0.220) 0.414 109.321 ( 0.211 0.280 0.220) 0.414 109.397 ( 0.319 -1.192 -0.322) 1.275 109.397 ( 0.319 1.192 -0.322) 1.275 ======================= Grid point 85 (44/78) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -3.867 -6.667 0.679) 7.737 3.159 ( -3.867 6.667 0.679) 7.737 3.337 ( 0.570 -7.370 0.265) 7.396 3.337 ( 0.570 7.370 0.265) 7.396 3.663 ( -8.122 -12.925 6.868) 16.739 3.663 ( -8.122 12.925 6.868) 16.739 4.009 ( 11.299 -3.566 -6.208) 13.377 4.009 ( 11.299 3.566 -6.208) 13.377 4.190 ( 1.586 -2.356 -11.404) 11.753 4.190 ( 1.586 2.356 -11.404) 11.753 4.445 ( 7.168 -4.043 -2.044) 8.480 4.445 ( 7.168 4.043 -2.044) 8.480 4.592 ( -4.435 -6.131 -2.479) 7.963 4.592 ( -4.435 6.131 -2.479) 7.963 4.862 ( -6.210 -10.592 4.548) 13.093 4.862 ( -6.210 10.592 4.548) 13.093 5.171 ( -2.113 -5.463 -1.210) 5.981 5.171 ( -2.113 5.463 -1.210) 5.981 5.241 ( 11.406 -7.129 6.185) 14.805 5.241 ( 11.406 7.129 6.185) 14.805 5.482 ( -5.691 -8.297 2.773) 10.436 5.482 ( -5.691 8.297 2.773) 10.436 5.711 ( 0.011 -2.836 1.145) 3.058 5.711 ( 0.011 2.836 1.145) 3.058 6.012 ( -2.570 -3.678 -0.692) 4.540 6.012 ( -2.570 3.678 -0.692) 4.540 6.067 ( 5.833 -3.486 -3.519) 7.653 6.067 ( 5.833 3.487 -3.519) 7.653 6.274 ( -3.360 -8.768 -1.783) 9.557 6.274 ( -3.360 8.768 -1.783) 9.557 6.426 ( 2.079 -3.233 -3.694) 5.331 6.426 ( 2.079 3.233 -3.694) 5.331 6.491 ( -4.917 -6.883 4.306) 9.492 6.491 ( -4.917 6.883 4.306) 9.492 6.706 ( -2.270 -3.262 4.315) 5.866 6.706 ( -2.270 3.262 4.315) 5.866 6.831 ( -1.077 -5.204 -0.678) 5.357 6.831 ( -1.077 5.204 -0.678) 5.357 7.210 ( 5.101 -3.310 -3.763) 7.151 7.210 ( 5.101 3.310 -3.763) 7.151 7.466 ( -1.263 -5.353 6.150) 8.251 7.466 ( -1.263 5.353 6.150) 8.251 7.582 ( -2.733 -1.766 0.696) 3.327 7.582 ( -2.733 1.766 0.696) 3.327 7.767 ( 5.146 -3.033 -7.198) 9.354 7.767 ( 5.146 3.033 -7.198) 9.354 8.009 ( -5.700 -8.732 0.335) 10.433 8.009 ( -5.700 8.732 0.335) 10.433 8.144 ( 2.030 -2.643 3.402) 4.763 8.144 ( 2.030 2.643 3.402) 4.763 8.388 ( -0.321 -5.287 4.743) 7.110 8.388 ( -0.321 5.287 4.743) 7.110 8.558 ( -3.164 -2.035 -2.853) 4.721 8.558 ( -3.164 2.035 -2.853) 4.721 8.856 ( 7.262 -9.369 -6.394) 13.468 8.856 ( 7.262 9.369 -6.394) 13.468 9.051 ( -2.499 -2.014 -0.795) 3.307 9.051 ( -2.499 2.014 -0.795) 3.307 9.121 ( -0.577 -4.763 1.654) 5.074 9.121 ( -0.577 4.763 1.654) 5.074 9.410 ( -0.952 -5.121 2.825) 5.925 9.410 ( -0.952 5.121 2.825) 5.925 9.584 ( -0.653 -2.257 -1.585) 2.834 9.584 ( -0.653 2.257 -1.585) 2.834 9.696 ( 4.918 -4.467 -0.710) 6.681 9.696 ( 4.918 4.467 -0.710) 6.681 9.803 ( -1.518 -2.883 -3.973) 5.138 9.803 ( -1.518 2.883 -3.973) 5.138 10.193 ( 0.033 -4.376 2.227) 4.910 10.193 ( 0.033 4.376 2.227) 4.910 10.410 ( 0.522 -4.357 1.998) 4.822 10.410 ( 0.522 4.357 1.998) 4.822 10.607 ( -0.060 -10.180 0.485) 10.192 10.607 ( -0.060 10.180 0.485) 10.192 10.788 ( 4.072 -2.429 1.027) 4.851 10.788 ( 4.072 2.429 1.027) 4.851 10.881 ( -3.678 -2.880 5.908) 7.532 10.881 ( -3.678 2.880 5.908) 7.532 11.135 ( -0.334 -4.487 -2.872) 5.338 11.135 ( -0.334 4.487 -2.872) 5.338 11.393 ( 0.098 -2.241 -1.716) 2.824 11.393 ( 0.098 2.241 -1.716) 2.824 11.703 ( -2.318 -3.504 -0.760) 4.270 11.703 ( -2.318 3.504 -0.760) 4.270 11.867 ( -2.404 -4.028 2.277) 5.215 11.867 ( -2.404 4.028 2.277) 5.215 12.097 ( -0.326 -8.858 -0.321) 8.870 12.097 ( -0.326 8.858 -0.321) 8.870 12.156 ( 2.948 -6.583 -1.441) 7.356 12.156 ( 2.948 6.583 -1.441) 7.356 12.517 ( -1.167 -6.044 1.774) 6.406 12.517 ( -1.167 6.044 1.774) 6.406 12.789 ( 0.577 -2.955 -3.783) 4.834 12.789 ( 0.577 2.955 -3.783) 4.834 12.845 ( 3.308 -0.389 -4.941) 5.959 12.845 ( 3.308 0.389 -4.941) 5.959 13.057 ( 0.904 -0.838 -5.405) 5.544 13.057 ( 0.904 0.838 -5.405) 5.544 13.464 ( -0.269 -9.072 3.706) 9.804 13.464 ( -0.269 9.072 3.706) 9.804 13.486 ( 0.295 -5.936 0.990) 6.025 13.486 ( 0.295 5.936 0.990) 6.025 13.769 ( -0.104 -3.688 0.169) 3.693 13.769 ( -0.104 3.688 0.169) 3.693 14.039 ( -3.008 -2.437 4.962) 6.294 14.039 ( -3.008 2.437 4.962) 6.294 14.412 ( -1.077 -4.155 -0.115) 4.294 14.412 ( -1.077 4.155 -0.115) 4.294 14.738 ( 1.479 -4.242 -0.299) 4.502 14.738 ( 1.479 4.242 -0.299) 4.502 15.125 ( -1.012 -5.390 0.255) 5.490 15.125 ( -1.012 5.390 0.255) 5.490 15.277 ( 0.358 -1.881 5.904) 6.206 15.277 ( 0.358 1.881 5.904) 6.206 15.402 ( -0.193 -1.784 -2.356) 2.962 15.402 ( -0.193 1.784 -2.356) 2.962 15.699 ( 0.207 -2.364 -2.651) 3.558 15.699 ( 0.207 2.364 -2.651) 3.558 16.078 ( -4.191 -1.447 1.385) 4.645 16.078 ( -4.191 1.447 1.385) 4.645 16.247 ( 3.106 -5.182 0.446) 6.058 16.247 ( 3.106 5.182 0.446) 6.058 16.537 ( 2.489 -5.541 -1.211) 6.194 16.537 ( 2.489 5.541 -1.211) 6.194 16.692 ( -0.696 -2.499 -0.826) 2.723 16.692 ( -0.696 2.499 -0.826) 2.723 16.830 ( -1.462 -4.094 1.427) 4.576 16.830 ( -1.462 4.094 1.427) 4.576 17.035 ( 4.011 -3.680 -2.089) 5.831 17.035 ( 4.011 3.680 -2.089) 5.831 17.351 ( 1.289 -5.585 -1.371) 5.893 17.351 ( 1.289 5.585 -1.371) 5.893 17.515 ( -3.822 -5.943 2.950) 7.657 17.515 ( -3.822 5.943 2.950) 7.657 19.366 ( -0.598 -2.974 -1.658) 3.457 19.366 ( -0.598 2.974 -1.658) 3.457 19.882 ( 1.131 -0.866 2.430) 2.817 19.882 ( 1.131 0.866 2.430) 2.817 21.306 ( 1.108 -1.287 1.172) 2.064 21.306 ( 1.108 1.287 1.172) 2.064 21.397 ( -0.808 -1.393 -0.227) 1.626 21.397 ( -0.808 1.393 -0.227) 1.626 22.356 ( -1.324 -11.671 0.780) 11.772 22.356 ( -1.324 11.671 0.780) 11.772 22.469 ( 1.055 -12.435 -0.437) 12.487 22.469 ( 1.055 12.435 -0.437) 12.487 24.640 ( -0.242 -0.982 1.162) 1.540 24.640 ( -0.242 0.982 1.162) 1.540 24.811 ( 1.100 -2.973 -2.705) 4.167 24.811 ( 1.100 2.973 -2.705) 4.167 25.183 ( -0.925 -3.314 1.595) 3.792 25.183 ( -0.925 3.314 1.595) 3.792 25.457 ( 0.084 -1.754 -0.943) 1.993 25.457 ( 0.084 1.754 -0.943) 1.993 26.691 ( -0.923 -1.250 -4.097) 4.382 26.691 ( -0.923 1.250 -4.097) 4.382 27.054 ( -0.585 -0.478 2.192) 2.318 27.054 ( -0.585 0.478 2.192) 2.318 27.806 ( -0.657 -2.162 -3.768) 4.394 27.806 ( -0.657 2.162 -3.768) 4.394 28.106 ( 0.963 -2.138 4.778) 5.322 28.106 ( 0.963 2.138 4.778) 5.322 28.522 ( -1.071 -0.725 5.442) 5.594 28.522 ( -1.071 0.725 5.442) 5.594 28.934 ( 1.286 -3.616 -2.904) 4.813 28.934 ( 1.286 3.616 -2.904) 4.813 30.091 ( -0.617 -1.976 -1.313) 2.451 30.091 ( -0.617 1.976 -1.313) 2.451 30.284 ( 0.708 -2.362 -0.608) 2.540 30.284 ( 0.708 2.362 -0.608) 2.540 30.951 ( 0.443 -4.903 -1.345) 5.103 30.951 ( 0.443 4.903 -1.345) 5.103 31.563 ( -0.491 -1.988 -0.535) 2.116 31.563 ( -0.491 1.988 -0.535) 2.116 32.110 ( -2.014 -4.101 2.777) 5.347 32.110 ( -2.014 4.101 2.777) 5.347 32.223 ( 2.194 -2.754 -0.373) 3.541 32.223 ( 2.194 2.754 -0.373) 3.541 32.596 ( 1.408 -4.131 2.183) 4.880 32.596 ( 1.408 4.131 2.183) 4.880 32.796 ( -1.192 -0.848 -2.007) 2.484 32.796 ( -1.192 0.848 -2.007) 2.484 99.274 ( 0.220 -0.595 0.760) 0.990 99.274 ( 0.220 0.595 0.760) 0.990 99.366 ( -0.427 -0.486 -0.701) 0.954 99.366 ( -0.427 0.486 -0.701) 0.954 102.267 ( -0.388 -0.084 1.448) 1.502 102.267 ( -0.388 0.084 1.448) 1.502 102.474 ( -0.009 -0.221 -1.398) 1.416 102.474 ( -0.009 0.221 -1.398) 1.416 107.363 ( 0.179 -0.269 0.685) 0.757 107.363 ( 0.179 0.269 0.685) 0.757 107.441 ( -0.129 -0.412 -0.566) 0.712 107.441 ( -0.129 0.412 -0.566) 0.712 109.326 ( 0.030 -0.256 0.374) 0.454 109.326 ( 0.030 0.256 0.374) 0.454 109.398 ( 0.054 -1.133 -0.392) 1.200 109.398 ( 0.054 1.133 -0.392) 1.200 ======================= Grid point 87 (45/78) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -16.198 -10.081 -0.645) 19.090 2.961 ( -16.198 10.081 -0.645) 19.090 3.215 ( -17.098 -12.229 -1.412) 21.069 3.215 ( -17.098 12.229 -1.412) 21.069 3.551 ( 0.859 -6.313 0.899) 6.434 3.551 ( 0.859 6.313 0.899) 6.434 3.919 ( -16.294 -4.784 -0.479) 16.988 3.919 ( -16.294 4.784 -0.479) 16.988 4.247 ( 5.408 -2.481 -6.590) 8.878 4.247 ( 5.408 2.481 -6.590) 8.878 4.427 ( -2.962 -2.622 1.127) 4.113 4.427 ( -2.962 2.622 1.127) 4.113 4.611 ( 8.638 -2.170 -4.303) 9.891 4.611 ( 8.638 2.170 -4.303) 9.891 4.868 ( 4.715 -12.309 -1.046) 13.223 4.868 ( 4.715 12.309 -1.046) 13.223 5.088 ( -7.852 -10.229 5.608) 14.062 5.088 ( -7.852 10.229 5.608) 14.062 5.397 ( -1.464 -3.495 1.054) 3.933 5.397 ( -1.464 3.495 1.054) 3.933 5.519 ( 7.341 -3.799 3.125) 8.836 5.519 ( 7.341 3.799 3.125) 8.836 5.727 ( -0.971 -1.191 2.968) 3.343 5.727 ( -0.971 1.191 2.968) 3.343 6.006 ( -0.329 -8.965 -0.361) 8.979 6.006 ( -0.329 8.965 -0.361) 8.979 6.095 ( 2.067 -7.128 -4.522) 8.691 6.095 ( 2.067 7.128 -4.522) 8.691 6.218 ( -0.972 -1.628 -0.839) 2.073 6.218 ( -0.972 1.628 -0.839) 2.073 6.369 ( -3.090 -8.623 -2.373) 9.462 6.369 ( -3.090 8.623 -2.373) 9.462 6.532 ( 5.329 -1.589 3.024) 6.330 6.532 ( 5.329 1.589 3.024) 6.330 6.702 ( 1.131 -3.813 -0.370) 3.994 6.702 ( 1.131 3.813 -0.370) 3.994 6.823 ( 0.376 -5.073 0.287) 5.095 6.823 ( 0.376 5.073 0.287) 5.095 7.282 ( 3.632 -3.920 -0.778) 5.400 7.282 ( 3.632 3.920 -0.778) 5.400 7.484 ( -2.793 -6.778 3.974) 8.339 7.484 ( -2.793 6.778 3.974) 8.339 7.563 ( 2.452 -6.667 -0.799) 7.149 7.563 ( 2.452 6.667 -0.799) 7.149 7.770 ( 0.251 -2.105 -4.460) 4.938 7.770 ( 0.251 2.105 -4.460) 4.938 7.908 ( -4.287 -5.276 -0.195) 6.800 7.908 ( -4.287 5.276 -0.195) 6.800 8.199 ( 1.020 -3.177 1.729) 3.758 8.199 ( 1.020 3.177 1.729) 3.758 8.438 ( 0.836 -3.274 4.416) 5.560 8.438 ( 0.836 3.274 4.416) 5.560 8.493 ( -0.646 -2.287 -0.913) 2.546 8.493 ( -0.646 2.287 -0.913) 2.546 8.944 ( 5.898 -6.546 -2.593) 9.185 8.944 ( 5.898 6.546 -2.593) 9.185 8.991 ( -3.311 -1.537 -0.529) 3.688 8.991 ( -3.311 1.537 -0.529) 3.688 9.122 ( 1.055 -3.710 -1.894) 4.297 9.122 ( 1.055 3.710 -1.894) 4.297 9.404 ( -1.624 -5.721 2.960) 6.643 9.404 ( -1.624 5.721 2.960) 6.643 9.573 ( 1.186 -4.436 -3.604) 5.837 9.573 ( 1.186 4.436 -3.604) 5.837 9.730 ( -2.930 -5.035 -0.486) 5.846 9.730 ( -2.930 5.035 -0.486) 5.846 9.830 ( 7.887 -8.408 -0.582) 11.543 9.830 ( 7.887 8.408 -0.582) 11.543 10.225 ( 0.090 -3.045 3.125) 4.364 10.225 ( 0.090 3.045 3.125) 4.364 10.411 ( -0.124 -3.214 -3.078) 4.452 10.411 ( -0.124 3.214 -3.078) 4.452 10.590 ( -2.820 -5.223 3.546) 6.914 10.590 ( -2.820 5.223 3.546) 6.914 10.798 ( -2.474 -6.144 0.463) 6.640 10.798 ( -2.474 6.144 0.463) 6.640 10.931 ( 3.220 -1.199 4.586) 5.730 10.931 ( 3.220 1.199 4.586) 5.730 11.112 ( 0.539 -3.160 -2.585) 4.118 11.112 ( 0.539 3.160 -2.585) 4.118 11.395 ( -0.430 -6.281 -1.130) 6.396 11.395 ( -0.430 6.281 -1.130) 6.396 11.657 ( 0.626 -5.357 -3.055) 6.198 11.657 ( 0.626 5.357 -3.055) 6.198 11.853 ( -0.995 -6.076 3.149) 6.916 11.853 ( -0.995 6.076 3.149) 6.916 12.135 ( 3.591 -3.077 0.723) 4.784 12.135 ( 3.591 3.077 0.723) 4.784 12.234 ( 5.633 -3.116 -1.244) 6.557 12.234 ( 5.633 3.116 -1.244) 6.557 12.505 ( -1.134 -2.954 1.549) 3.523 12.505 ( -1.134 2.954 1.549) 3.523 12.709 ( -4.441 -3.636 -3.140) 6.542 12.709 ( -4.441 3.636 -3.140) 6.542 12.881 ( 5.043 -3.249 -7.046) 9.254 12.881 ( 5.043 3.249 -7.046) 9.254 13.053 ( 1.271 -2.182 -1.865) 3.139 13.053 ( 1.271 2.182 -1.865) 3.139 13.411 ( -3.289 -6.760 -1.398) 7.647 13.411 ( -3.289 6.760 -1.398) 7.647 13.542 ( -0.779 -5.082 7.149) 8.806 13.542 ( -0.779 5.082 7.149) 8.806 13.740 ( -1.653 -4.461 -4.031) 6.235 13.740 ( -1.653 4.461 -4.031) 6.235 14.009 ( -3.551 -3.557 5.094) 7.156 14.009 ( -3.551 3.557 5.094) 7.156 14.429 ( 1.539 -0.520 3.727) 4.066 14.429 ( 1.539 0.520 3.727) 4.066 14.760 ( 1.116 -7.340 -1.716) 7.620 14.760 ( 1.116 7.340 -1.716) 7.620 15.109 ( -0.788 -5.532 0.069) 5.588 15.109 ( -0.788 5.532 0.069) 5.588 15.276 ( -4.273 -1.516 2.070) 4.984 15.276 ( -4.273 1.516 2.070) 4.984 15.380 ( -0.725 -2.552 -0.168) 2.658 15.380 ( -0.725 2.552 -0.168) 2.658 15.717 ( 3.455 -2.797 -2.235) 4.976 15.717 ( 3.455 2.797 -2.235) 4.976 15.983 ( -5.412 -2.780 -0.301) 6.091 15.983 ( -5.412 2.780 -0.301) 6.091 16.314 ( 2.165 -5.505 1.365) 6.071 16.314 ( 2.165 5.505 1.365) 6.071 16.553 ( -0.067 -6.756 -0.230) 6.761 16.553 ( -0.067 6.756 -0.230) 6.761 16.633 ( -3.049 -2.634 -1.425) 4.274 16.633 ( -3.049 2.634 -1.425) 4.274 16.851 ( 2.285 -7.777 -1.372) 8.221 16.851 ( 2.285 7.777 -1.372) 8.221 17.098 ( 3.212 -1.305 -0.625) 3.523 17.098 ( 3.212 1.305 -0.625) 3.523 17.379 ( 2.823 -3.911 -0.951) 4.916 17.379 ( 2.823 3.911 -0.951) 4.916 17.473 ( -3.120 -9.959 4.300) 11.288 17.473 ( -3.120 9.959 4.300) 11.288 19.360 ( 1.358 -2.256 -1.287) 2.931 19.360 ( 1.358 2.256 -1.287) 2.931 19.921 ( 0.816 -2.584 2.168) 3.470 19.921 ( 0.816 2.584 2.168) 3.470 21.336 ( 0.812 -2.215 1.738) 2.930 21.336 ( 0.812 2.215 1.738) 2.930 21.389 ( 0.394 -0.904 -0.740) 1.233 21.389 ( 0.394 0.904 -0.740) 1.233 22.356 ( 0.785 -8.833 1.331) 8.967 22.356 ( 0.785 8.833 1.331) 8.967 22.508 ( 3.260 -10.010 -0.729) 10.553 22.508 ( 3.260 10.010 -0.729) 10.553 24.627 ( -2.268 -0.930 1.156) 2.710 24.627 ( -2.268 0.930 1.156) 2.710 24.791 ( -0.629 -2.543 -2.841) 3.864 24.791 ( -0.629 2.543 -2.841) 3.864 25.201 ( 1.277 -2.141 2.023) 3.210 25.201 ( 1.277 2.141 2.023) 3.210 25.459 ( 1.025 -0.561 -1.241) 1.705 25.459 ( 1.025 0.561 -1.241) 1.705 26.650 ( 0.229 -0.932 -3.813) 3.932 26.650 ( 0.229 0.932 -3.813) 3.932 27.077 ( 1.107 -0.449 1.987) 2.319 27.077 ( 1.107 0.449 1.987) 2.319 27.782 ( 0.950 -1.947 -2.709) 3.469 27.782 ( 0.950 1.947 -2.709) 3.469 28.170 ( 2.010 -3.979 3.285) 5.537 28.170 ( 2.010 3.979 3.285) 5.537 28.573 ( 1.282 -1.428 5.777) 6.088 28.573 ( 1.282 1.428 5.777) 6.088 28.941 ( 2.183 -4.604 -3.079) 5.953 28.941 ( 2.183 4.604 -3.079) 5.953 30.005 ( -6.940 -1.645 -1.303) 7.251 30.005 ( -6.940 1.645 -1.303) 7.251 30.256 ( -3.306 -0.681 -1.130) 3.560 30.256 ( -3.306 0.681 -1.130) 3.560 30.916 ( -2.673 -4.851 -0.972) 5.623 30.916 ( -2.673 4.851 -0.972) 5.623 31.519 ( -3.681 -4.079 -0.394) 5.508 31.519 ( -3.681 4.079 -0.394) 5.508 32.080 ( -2.831 -4.972 1.530) 5.922 32.080 ( -2.831 4.972 1.530) 5.922 32.292 ( 4.570 -1.844 0.988) 5.026 32.292 ( 4.570 1.844 0.988) 5.026 32.669 ( 3.091 -3.050 2.927) 5.237 32.669 ( 3.091 3.050 2.927) 5.237 32.748 ( -0.846 -2.059 -2.544) 3.380 32.748 ( -0.846 2.059 -2.544) 3.380 99.284 ( -0.007 -0.945 0.988) 1.367 99.284 ( -0.007 0.945 0.988) 1.367 99.358 ( 0.337 -0.420 -0.851) 1.007 99.358 ( 0.337 0.420 -0.851) 1.007 102.278 ( 0.092 -0.734 1.766) 1.915 102.278 ( 0.092 0.734 1.766) 1.915 102.471 ( 0.932 -1.178 -1.610) 2.202 102.471 ( 0.932 1.178 -1.610) 2.202 107.371 ( -0.069 -0.400 0.733) 0.838 107.371 ( -0.069 0.400 0.733) 0.838 107.432 ( -0.229 -0.487 -0.577) 0.789 107.432 ( -0.229 0.487 -0.577) 0.789 109.329 ( -0.133 -0.234 0.437) 0.513 109.329 ( -0.133 0.234 0.437) 0.513 109.392 ( -0.255 -1.104 -0.492) 1.236 109.392 ( -0.255 1.104 -0.492) 1.236 ======================= Grid point 89 (46/78) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -24.234 -12.444 0.187) 27.243 2.560 ( -24.234 12.444 0.187) 27.243 2.805 ( -21.977 -6.867 -1.953) 23.107 2.805 ( -21.977 6.867 -1.953) 23.107 3.479 ( -11.423 -3.292 -5.230) 12.988 3.479 ( -11.423 3.292 -5.230) 12.988 3.736 ( 2.794 -8.981 4.090) 10.256 3.736 ( 2.794 8.981 4.090) 10.256 4.243 ( -2.687 -3.284 -1.466) 4.490 4.243 ( -2.687 3.284 -1.466) 4.490 4.375 ( -2.176 -2.610 3.100) 4.599 4.375 ( -2.176 2.610 3.100) 4.599 4.687 ( -4.268 -20.210 -4.079) 21.054 4.687 ( -4.268 20.210 -4.079) 21.054 4.905 ( 3.876 -8.320 -7.723) 11.995 4.905 ( 3.876 8.320 -7.723) 11.995 5.046 ( -2.067 -4.312 9.736) 10.847 5.046 ( -2.067 4.312 9.736) 10.847 5.396 ( -5.640 -7.434 -2.519) 9.665 5.396 ( -5.640 7.434 -2.519) 9.665 5.577 ( 4.868 -6.354 1.705) 8.184 5.577 ( 4.868 6.354 1.705) 8.184 5.759 ( 2.172 -5.179 2.616) 6.196 5.759 ( 2.172 5.179 2.616) 6.196 5.884 ( -7.151 -3.750 -1.358) 8.188 5.884 ( -7.151 3.750 -1.358) 8.188 6.082 ( 0.127 -2.726 -1.744) 3.239 6.082 ( 0.127 2.726 -1.744) 3.239 6.317 ( 5.245 -1.922 1.778) 5.863 6.317 ( 5.245 1.922 1.778) 5.863 6.356 ( 2.355 -11.684 -0.999) 11.961 6.356 ( 2.355 11.684 -0.999) 11.961 6.610 ( 0.512 -9.533 2.355) 9.833 6.610 ( 0.512 9.533 2.355) 9.833 6.736 ( 4.831 -5.767 -4.518) 8.775 6.736 ( 4.831 5.767 -4.518) 8.775 6.924 ( 8.160 -3.258 2.141) 9.044 6.924 ( 8.160 3.258 2.141) 9.044 7.285 ( -4.010 -6.491 0.609) 7.654 7.285 ( -4.010 6.491 0.609) 7.654 7.461 ( -0.252 -8.877 1.860) 9.074 7.461 ( -0.252 8.877 1.860) 9.074 7.561 ( 1.108 -6.505 -7.277) 9.823 7.561 ( 1.108 6.505 -7.277) 9.823 7.800 ( 3.709 -2.101 0.178) 4.266 7.800 ( 3.709 2.101 0.178) 4.266 7.882 ( 1.659 -3.475 2.585) 4.638 7.882 ( 1.659 3.475 2.585) 4.638 8.186 ( -2.442 -4.353 0.386) 5.006 8.186 ( -2.442 4.353 0.386) 5.006 8.460 ( -0.883 -6.053 2.890) 6.765 8.460 ( -0.883 6.053 2.890) 6.765 8.534 ( 2.026 -4.673 1.388) 5.279 8.534 ( 2.026 4.673 1.388) 5.279 8.913 ( -3.317 -5.354 0.505) 6.319 8.913 ( -3.317 5.354 0.505) 6.319 9.028 ( 2.391 -1.809 -0.920) 3.136 9.028 ( 2.391 1.809 -0.920) 3.136 9.163 ( 4.901 -0.933 -1.016) 5.092 9.163 ( 4.901 0.933 -1.016) 5.092 9.398 ( -2.058 -5.184 2.827) 6.253 9.398 ( -2.058 5.184 2.827) 6.253 9.557 ( 0.299 -5.534 -2.200) 5.963 9.557 ( 0.299 5.534 -2.200) 5.963 9.685 ( 0.305 -2.000 -0.712) 2.145 9.685 ( 0.305 2.000 -0.712) 2.145 9.991 ( 9.481 -9.074 -2.474) 13.354 9.991 ( 9.481 9.074 -2.474) 13.354 10.199 ( -5.642 -4.980 2.138) 7.824 10.199 ( -5.642 4.980 2.138) 7.824 10.359 ( -2.872 -5.185 -1.744) 6.178 10.359 ( -2.872 5.185 -1.744) 6.178 10.584 ( 0.415 -2.758 0.517) 2.836 10.584 ( 0.415 2.758 0.517) 2.836 10.760 ( -1.123 -2.948 -0.388) 3.178 10.760 ( -1.123 2.948 -0.388) 3.178 10.996 ( -0.021 -1.688 -2.369) 2.909 10.996 ( -0.021 1.688 -2.369) 2.909 11.128 ( 2.060 -0.869 3.291) 3.978 11.128 ( 2.060 0.869 3.291) 3.978 11.354 ( -1.087 -3.905 -1.814) 4.440 11.354 ( -1.087 3.905 -1.814) 4.440 11.665 ( 1.265 -2.469 -1.681) 3.243 11.665 ( 1.265 2.469 -1.681) 3.243 11.896 ( 2.556 -7.602 2.845) 8.510 11.896 ( 2.556 7.602 2.845) 8.510 12.195 ( 1.286 -3.990 -1.759) 4.546 12.195 ( 1.286 3.990 -1.759) 4.546 12.338 ( 4.903 -1.263 2.195) 5.519 12.338 ( 4.903 1.263 2.195) 5.519 12.510 ( 0.735 -2.681 -0.348) 2.802 12.510 ( 0.735 2.681 -0.348) 2.802 12.610 ( -2.805 -2.016 -0.994) 3.595 12.610 ( -2.805 2.016 -0.994) 3.595 12.911 ( 2.491 -1.907 -3.122) 4.426 12.911 ( 2.491 1.907 -3.122) 4.426 13.071 ( 3.447 -2.117 -4.048) 5.723 13.071 ( 3.447 2.117 -4.048) 5.723 13.354 ( -1.418 -5.750 0.122) 5.923 13.354 ( -1.418 5.750 0.122) 5.923 13.563 ( -3.213 -2.685 7.532) 8.617 13.563 ( -3.213 2.685 7.532) 8.617 13.649 ( -3.303 -5.464 -4.708) 7.933 13.649 ( -3.303 5.464 -4.708) 7.933 14.010 ( -1.149 -4.089 6.031) 7.377 14.010 ( -1.149 4.089 6.031) 7.377 14.492 ( 0.136 -1.914 3.228) 3.755 14.492 ( 0.136 1.914 3.228) 3.755 14.730 ( -1.123 -11.930 -5.811) 13.318 14.730 ( -1.123 11.930 -5.811) 13.318 15.097 ( -1.346 -4.780 2.561) 5.587 15.097 ( -1.346 4.780 2.561) 5.587 15.190 ( -4.104 -1.825 -0.680) 4.543 15.190 ( -4.104 1.825 -0.680) 4.543 15.362 ( -0.869 -3.583 -0.660) 3.745 15.362 ( -0.869 3.583 -0.660) 3.745 15.767 ( 2.207 -3.972 -0.234) 4.549 15.767 ( 2.207 3.972 -0.234) 4.549 15.895 ( -2.051 -4.005 -1.843) 4.862 15.895 ( -2.051 4.005 -1.843) 4.862 16.324 ( -1.788 -5.718 0.173) 5.993 16.324 ( -1.788 5.718 0.173) 5.993 16.515 ( -2.971 -2.362 -1.416) 4.051 16.515 ( -2.971 2.362 -1.416) 4.051 16.612 ( 1.532 -3.581 -0.843) 3.985 16.612 ( 1.532 3.581 -0.843) 3.985 16.867 ( 1.100 -7.155 -2.381) 7.620 16.867 ( 1.100 7.155 -2.381) 7.620 17.124 ( 0.218 -2.222 -1.029) 2.458 17.124 ( 0.218 2.222 -1.029) 2.458 17.442 ( 2.718 -8.241 1.857) 8.875 17.442 ( 2.718 8.241 1.857) 8.875 17.490 ( 0.774 -8.284 5.636) 10.049 17.490 ( 0.774 8.284 5.636) 10.049 19.396 ( 2.956 -2.035 -0.389) 3.610 19.396 ( 2.956 2.035 -0.389) 3.610 19.951 ( 1.347 -6.408 0.673) 6.582 19.951 ( 1.347 6.408 0.673) 6.582 21.353 ( 0.057 -1.151 -1.146) 1.625 21.353 ( 0.057 1.151 -1.146) 1.625 21.408 ( 1.739 -2.646 1.641) 3.566 21.408 ( 1.739 2.646 1.641) 3.566 22.411 ( 2.965 -9.572 2.695) 10.376 22.411 ( 2.965 9.572 2.695) 10.376 22.578 ( 5.304 -11.711 -1.637) 12.960 22.578 ( 5.304 11.711 -1.637) 12.960 24.570 ( -4.496 -0.978 0.795) 4.669 24.570 ( -4.496 0.978 0.795) 4.669 24.744 ( -1.703 -2.335 -2.997) 4.164 24.744 ( -1.703 2.335 -2.997) 4.164 25.270 ( 3.754 -1.283 3.312) 5.168 25.270 ( 3.754 1.283 3.312) 5.168 25.471 ( 1.405 -1.032 -1.590) 2.360 25.471 ( 1.405 1.032 -1.590) 2.360 26.639 ( 1.212 -0.340 -1.692) 2.109 26.639 ( 1.212 0.340 -1.692) 2.109 27.127 ( 2.296 -1.175 1.786) 3.137 27.127 ( 2.296 1.175 1.786) 3.137 27.793 ( 1.978 -2.129 -1.510) 3.275 27.793 ( 1.978 2.129 -1.510) 3.275 28.226 ( 1.645 -5.200 1.014) 5.547 28.226 ( 1.645 5.200 1.014) 5.547 28.657 ( 2.627 -1.951 4.729) 5.751 28.657 ( 2.627 1.951 4.729) 5.751 28.966 ( 3.080 -6.415 -3.023) 7.731 28.966 ( 3.080 6.415 -3.023) 7.731 29.821 ( -11.117 -0.155 -0.116) 11.119 29.821 ( -11.117 0.155 -0.116) 11.119 30.113 ( -10.430 -2.903 -2.881) 11.203 30.113 ( -10.430 2.903 -2.881) 11.203 30.858 ( -2.408 -4.150 0.107) 4.799 30.858 ( -2.408 4.150 0.107) 4.799 31.410 ( -7.724 -6.429 -0.147) 10.051 31.410 ( -7.724 6.429 -0.147) 10.051 32.038 ( -2.390 -7.223 1.011) 7.675 32.038 ( -2.390 7.223 1.011) 7.675 32.398 ( 4.866 -1.541 1.169) 5.236 32.398 ( 4.866 1.541 1.169) 5.236 32.676 ( -0.558 -1.659 -2.192) 2.806 32.676 ( -0.558 1.659 -2.192) 2.806 32.825 ( 7.417 -0.945 2.804) 7.986 32.825 ( 7.417 0.945 2.804) 7.986 99.287 ( -0.362 -1.558 0.411) 1.652 99.287 ( -0.362 1.558 0.411) 1.652 99.370 ( 1.337 -1.020 0.102) 1.685 99.370 ( 1.337 1.020 0.102) 1.685 102.301 ( 0.493 -1.926 2.362) 3.088 102.301 ( 0.493 1.926 2.362) 3.088 102.481 ( 1.513 -2.615 -1.507) 3.376 102.481 ( 1.513 2.615 -1.507) 3.376 107.368 ( -0.682 -0.310 -0.002) 0.749 107.368 ( -0.682 0.310 -0.002) 0.749 107.430 ( 0.460 -0.399 0.148) 0.627 107.430 ( 0.460 0.399 0.148) 0.627 109.329 ( -0.220 -0.188 0.379) 0.477 109.329 ( -0.220 0.188 0.379) 0.477 109.379 ( -0.593 -1.051 -0.608) 1.351 109.379 ( -0.593 1.051 -0.608) 1.351 ======================= Grid point 91 (47/78) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -24.331 -16.380 1.844) 29.389 2.090 ( -24.331 16.380 1.844) 29.389 2.397 ( -19.309 -22.377 3.476) 29.759 2.397 ( -19.309 22.377 3.476) 29.759 3.324 ( 0.794 -4.790 -3.185) 5.807 3.324 ( 0.794 4.790 -3.185) 5.807 3.861 ( 3.325 -4.082 4.050) 6.642 3.861 ( 3.325 4.082 4.050) 6.642 4.116 ( -8.399 -4.085 -4.629) 10.424 4.116 ( -8.399 4.085 -4.629) 10.424 4.262 ( -13.490 -29.908 5.436) 33.257 4.262 ( -13.490 29.908 5.436) 33.257 4.602 ( 3.272 -11.409 -5.390) 13.036 4.602 ( 3.272 11.409 -5.390) 13.036 4.872 ( 0.117 -8.463 -9.374) 12.630 4.872 ( 0.117 8.463 -9.374) 12.630 5.042 ( -10.027 -8.922 4.842) 14.269 5.042 ( -10.027 8.922 4.842) 14.269 5.201 ( -3.180 -1.662 -0.504) 3.623 5.201 ( -3.180 1.662 -0.504) 3.623 5.728 ( -2.004 -4.146 5.125) 6.890 5.728 ( -2.004 4.146 5.125) 6.890 5.782 ( 6.119 -6.262 -3.214) 9.327 5.782 ( 6.119 6.262 -3.214) 9.327 5.864 ( 4.280 -5.489 -2.415) 7.367 5.864 ( 4.280 5.489 -2.415) 7.367 6.104 ( 2.259 -4.857 4.893) 7.254 6.104 ( 2.259 4.857 4.893) 7.254 6.338 ( -2.617 -9.989 -0.240) 10.329 6.338 ( -2.617 9.989 -0.240) 10.329 6.374 ( -2.106 -3.983 -0.144) 4.508 6.374 ( -2.106 3.983 -0.144) 4.508 6.634 ( 0.944 -17.846 1.713) 17.953 6.634 ( 0.944 17.846 1.713) 17.953 6.821 ( 6.387 -7.713 -6.178) 11.766 6.821 ( 6.387 7.713 -6.178) 11.766 6.976 ( -3.344 -9.495 -4.063) 10.855 6.976 ( -3.344 9.495 -4.063) 10.855 7.278 ( 5.385 -5.302 1.515) 7.708 7.278 ( 5.385 5.302 1.515) 7.708 7.507 ( 0.597 -8.069 4.198) 9.116 7.507 ( 0.597 8.069 4.198) 9.116 7.593 ( 6.915 -2.078 -0.182) 7.222 7.593 ( 6.915 2.078 -0.182) 7.222 7.854 ( 2.055 -4.803 1.483) 5.431 7.854 ( 2.055 4.803 1.483) 5.431 7.935 ( 0.421 -6.402 -1.507) 6.590 7.935 ( 0.421 6.402 -1.507) 6.590 8.173 ( 1.749 -5.632 -1.063) 5.993 8.173 ( 1.749 5.632 -1.063) 5.993 8.463 ( 0.060 -2.683 -1.047) 2.880 8.463 ( 0.060 2.683 -1.047) 2.880 8.568 ( -0.663 -4.437 8.802) 9.879 8.568 ( -0.663 4.437 8.802) 9.879 8.889 ( 1.183 -5.666 -1.870) 6.083 8.889 ( 1.183 5.666 -1.870) 6.083 9.043 ( 0.123 -3.021 0.905) 3.156 9.043 ( 0.123 3.021 0.905) 3.156 9.209 ( -1.061 -2.538 -0.308) 2.768 9.209 ( -1.061 2.538 -0.308) 2.768 9.383 ( -1.140 -2.119 2.174) 3.243 9.383 ( -1.140 2.119 2.174) 3.243 9.573 ( 2.311 -5.478 0.618) 5.978 9.573 ( 2.311 5.478 0.618) 5.978 9.755 ( 6.124 -2.660 -0.309) 6.684 9.755 ( 6.124 2.660 -0.309) 6.684 10.057 ( -9.099 -6.311 1.030) 11.121 10.057 ( -9.099 6.311 1.030) 11.121 10.138 ( 8.336 -3.154 -4.627) 10.042 10.138 ( 8.336 3.154 -4.627) 10.042 10.299 ( -2.811 -4.046 2.220) 5.404 10.299 ( -2.811 4.046 2.220) 5.404 10.609 ( 2.239 -1.894 -0.301) 2.948 10.609 ( 2.239 1.894 -0.301) 2.948 10.702 ( -3.577 -8.103 -7.035) 11.311 10.702 ( -3.577 8.103 -7.035) 11.311 10.939 ( -1.510 -2.934 -0.543) 3.344 10.939 ( -1.510 2.934 -0.543) 3.344 11.193 ( 0.373 -5.151 2.612) 5.787 11.193 ( 0.373 5.151 2.612) 5.787 11.353 ( 2.685 -7.719 -2.594) 8.574 11.353 ( 2.685 7.719 -2.594) 8.574 11.667 ( -1.140 -2.351 1.506) 3.015 11.667 ( -1.140 2.351 1.506) 3.015 11.976 ( 3.900 -6.658 0.735) 7.751 11.976 ( 3.900 6.658 0.735) 7.751 12.138 ( -4.932 -2.985 -1.834) 6.049 12.138 ( -4.932 2.985 -1.834) 6.049 12.413 ( 1.049 -3.148 2.037) 3.893 12.413 ( 1.049 3.148 2.037) 3.893 12.533 ( 2.006 -7.237 -1.304) 7.623 12.533 ( 2.006 7.237 -1.304) 7.623 12.624 ( 4.908 -0.983 -0.028) 5.005 12.624 ( 4.908 0.983 -0.028) 5.005 12.918 ( -0.238 -4.450 -1.866) 4.831 12.918 ( -0.238 4.450 -1.866) 4.831 13.101 ( 1.462 -3.647 -0.722) 3.995 13.101 ( 1.462 3.647 -0.722) 3.995 13.372 ( 2.414 -4.473 -0.127) 5.084 13.372 ( 2.414 4.473 -0.127) 5.084 13.520 ( -3.212 -4.551 -4.099) 6.916 13.520 ( -3.212 4.551 -4.099) 6.916 13.615 ( -0.803 -1.958 10.968) 11.170 13.615 ( -0.803 1.958 10.968) 11.170 14.063 ( 0.995 -5.847 5.900) 8.366 14.063 ( 0.995 5.847 5.900) 8.366 14.404 ( -9.674 -3.295 -2.018) 10.417 14.404 ( -9.674 3.295 -2.018) 10.417 14.672 ( 3.417 -12.028 -10.788) 16.514 14.672 ( 3.417 12.028 -10.788) 16.514 15.106 ( -1.176 -3.808 4.017) 5.658 15.106 ( -1.176 3.808 4.017) 5.658 15.128 ( -1.974 -1.677 0.410) 2.622 15.128 ( -1.974 1.677 0.410) 2.622 15.344 ( -0.315 -4.551 -0.390) 4.578 15.344 ( -0.315 4.551 -0.390) 4.578 15.789 ( -0.005 -2.826 1.643) 3.269 15.789 ( -0.005 2.826 1.643) 3.269 15.885 ( 2.688 -2.016 -3.510) 4.859 15.885 ( 2.688 2.016 -3.510) 4.859 16.278 ( -2.416 -4.071 0.261) 4.741 16.278 ( -2.416 4.071 0.261) 4.741 16.438 ( -3.315 -4.591 -2.759) 6.299 16.438 ( -3.315 4.591 -2.759) 6.299 16.615 ( -1.127 -1.624 -0.933) 2.186 16.615 ( -1.127 1.624 -0.933) 2.186 16.869 ( 0.234 -4.142 0.286) 4.158 16.869 ( 0.234 4.142 0.286) 4.158 17.114 ( 0.472 -2.589 -1.192) 2.889 17.114 ( 0.472 2.589 -1.192) 2.889 17.486 ( -2.071 -7.664 6.073) 9.996 17.486 ( -2.071 7.664 6.073) 9.996 17.580 ( 4.533 -6.315 1.553) 7.927 17.580 ( 4.533 6.315 1.553) 7.927 19.454 ( 2.920 -1.517 0.208) 3.297 19.454 ( 2.920 1.517 0.208) 3.297 19.996 ( 3.874 -8.161 -1.565) 9.169 19.996 ( 3.874 8.161 -1.565) 9.169 21.321 ( -1.167 -1.372 -3.269) 3.733 21.321 ( -1.167 1.372 -3.269) 3.733 21.473 ( 2.734 -5.154 2.204) 6.237 21.473 ( 2.734 5.154 2.204) 6.237 22.492 ( 2.739 -11.640 1.863) 12.102 22.492 ( 2.739 11.640 1.863) 12.102 22.696 ( 8.690 -14.526 -1.646) 17.007 22.696 ( 8.690 14.526 -1.646) 17.007 24.476 ( -5.597 -1.405 0.629) 5.805 24.476 ( -5.597 1.405 0.629) 5.805 24.678 ( -2.128 -2.886 -3.743) 5.183 24.678 ( -2.128 2.886 -3.743) 5.183 25.397 ( 5.140 -3.513 5.294) 8.172 25.397 ( 5.140 3.513 5.294) 8.172 25.488 ( 2.033 -6.478 -1.606) 6.977 25.488 ( 2.033 6.478 -1.606) 6.977 26.672 ( 2.093 -0.248 2.327) 3.140 26.672 ( 2.093 0.248 2.327) 3.140 27.188 ( 2.450 -1.890 1.558) 3.465 27.188 ( 2.450 1.890 1.558) 3.465 27.830 ( 2.513 -2.532 0.337) 3.583 27.830 ( 2.513 2.532 0.337) 3.583 28.236 ( -0.733 -4.391 -1.245) 4.623 28.236 ( -0.733 4.391 -1.245) 4.623 28.742 ( 2.849 -1.576 2.023) 3.833 28.742 ( 2.849 1.576 2.023) 3.833 29.002 ( 2.680 -7.969 -2.521) 8.778 29.002 ( 2.680 7.969 -2.521) 8.778 29.603 ( -11.767 -1.301 1.969) 12.001 29.603 ( -11.767 1.301 1.969) 12.001 29.813 ( -17.153 -4.404 -3.730) 18.098 29.813 ( -17.153 4.404 -3.730) 18.098 30.835 ( -0.317 -3.428 0.510) 3.480 30.835 ( -0.317 3.428 0.510) 3.480 31.222 ( -11.499 -7.514 -0.020) 13.736 31.222 ( -11.499 7.514 -0.020) 13.736 32.009 ( -1.610 -9.043 1.061) 9.247 32.009 ( -1.610 9.043 1.061) 9.247 32.471 ( 2.186 -1.803 -0.646) 2.906 32.471 ( 2.186 1.803 -0.646) 2.906 32.670 ( 1.362 -4.172 -0.870) 4.475 32.670 ( 1.362 4.172 -0.870) 4.475 33.034 ( 12.387 -0.708 0.683) 12.426 33.034 ( 12.387 0.708 0.683) 12.426 99.279 ( -0.478 -1.796 -0.330) 1.888 99.279 ( -0.478 1.796 -0.330) 1.888 99.410 ( 2.153 -1.367 1.279) 2.853 99.410 ( 2.153 1.367 1.279) 2.853 102.336 ( 0.679 -3.480 3.084) 4.699 102.336 ( 0.679 3.480 3.084) 4.699 102.501 ( 1.623 -3.827 -0.987) 4.272 102.501 ( 1.623 3.827 -0.987) 4.272 107.349 ( -0.937 -0.535 -0.375) 1.143 107.349 ( -0.937 0.535 -0.375) 1.143 107.451 ( 1.330 -0.630 0.212) 1.487 107.451 ( 1.330 0.630 0.212) 1.487 109.326 ( -0.281 -0.085 0.066) 0.301 109.326 ( -0.281 0.085 0.066) 0.301 109.360 ( -0.848 -0.765 -0.489) 1.242 109.360 ( -0.848 0.765 -0.489) 1.242 ======================= Grid point 93 (48/78) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -13.701 -25.647 9.133) 30.477 1.748 ( -13.701 25.647 9.133) 30.477 2.187 ( -6.951 -38.609 7.736) 39.985 2.187 ( -6.951 38.609 7.736) 39.985 3.412 ( 5.922 -7.474 0.559) 9.553 3.412 ( 5.922 7.474 0.559) 9.553 3.733 ( -19.476 -42.958 6.765) 47.650 3.733 ( -19.476 42.959 6.765) 47.650 3.896 ( -3.077 -12.333 -15.337) 19.919 3.896 ( -3.077 12.333 -15.337) 19.919 4.220 ( 4.053 -10.109 5.274) 12.101 4.220 ( 4.053 10.109 5.274) 12.101 4.589 ( 1.389 -10.559 -15.006) 18.401 4.589 ( 1.389 10.559 -15.006) 18.401 4.811 ( -0.774 -3.245 -0.197) 3.342 4.811 ( -0.774 3.245 -0.197) 3.342 4.863 ( -6.848 -6.607 5.468) 10.975 4.863 ( -6.848 6.607 5.468) 10.975 5.236 ( 0.360 -1.454 3.634) 3.931 5.236 ( 0.360 1.454 3.634) 3.931 5.688 ( -0.016 -2.250 -3.263) 3.964 5.688 ( -0.016 2.250 -3.263) 3.964 5.852 ( -0.829 -5.112 1.453) 5.379 5.852 ( -0.829 5.112 1.453) 5.379 5.930 ( 4.886 -3.289 -3.757) 6.986 5.930 ( 4.886 3.289 -3.757) 6.986 6.157 ( -1.565 -2.978 1.662) 3.752 6.157 ( -1.565 2.978 1.662) 3.752 6.258 ( -4.903 -11.710 2.713) 12.982 6.258 ( -4.903 11.710 2.713) 12.982 6.351 ( 1.627 -11.398 -2.246) 11.730 6.351 ( 1.627 11.398 -2.246) 11.730 6.617 ( -2.157 -14.272 0.472) 14.442 6.617 ( -2.157 14.272 0.472) 14.442 6.825 ( -2.450 -6.609 -3.152) 7.722 6.825 ( -2.450 6.609 -3.152) 7.722 6.936 ( 4.771 -9.916 -4.196) 11.776 6.936 ( 4.771 9.916 -4.196) 11.776 7.392 ( 4.154 -6.058 -1.507) 7.498 7.392 ( 4.154 6.058 -1.507) 7.498 7.546 ( -0.915 -7.390 6.089) 9.619 7.546 ( -0.915 7.390 6.089) 9.619 7.735 ( 4.791 -4.206 -2.001) 6.682 7.735 ( 4.791 4.206 -2.001) 6.682 7.884 ( -0.273 -1.123 -2.029) 2.335 7.884 ( -0.273 1.123 -2.029) 2.335 7.926 ( 2.339 -3.624 2.508) 4.989 7.926 ( 2.339 3.624 2.508) 4.989 8.200 ( 2.975 -1.953 -3.280) 4.840 8.200 ( 2.975 1.953 -3.280) 4.840 8.461 ( 1.615 -2.920 -1.092) 3.511 8.461 ( 1.615 2.920 -1.092) 3.511 8.669 ( -2.789 -4.318 15.447) 16.280 8.669 ( -2.789 4.318 15.447) 16.280 8.900 ( 2.778 -5.906 -5.794) 8.728 8.900 ( 2.778 5.906 -5.794) 8.728 9.061 ( -0.574 -5.427 2.934) 6.195 9.061 ( -0.574 5.427 2.934) 6.195 9.185 ( 0.478 -1.492 2.972) 3.359 9.185 ( 0.478 1.492 2.972) 3.359 9.381 ( -1.693 -3.219 2.204) 4.253 9.381 ( -1.693 3.219 2.204) 4.253 9.625 ( 2.618 -5.327 0.766) 5.985 9.625 ( 2.618 5.327 0.766) 5.985 9.823 ( -0.398 -1.950 -1.288) 2.371 9.823 ( -0.398 1.950 -1.288) 2.371 9.962 ( 0.281 -0.241 3.491) 3.511 9.962 ( 0.281 0.241 3.491) 3.511 10.201 ( -1.651 -2.234 0.723) 2.871 10.201 ( -1.651 2.234 0.723) 2.871 10.305 ( 4.148 -3.569 -4.318) 6.971 10.305 ( 4.148 3.569 -4.318) 6.971 10.521 ( -5.224 -7.027 -5.244) 10.206 10.521 ( -5.224 7.027 -5.244) 10.206 10.691 ( 3.558 -4.147 2.294) 5.926 10.691 ( 3.558 4.147 2.294) 5.926 10.944 ( 2.519 -2.693 -3.109) 4.824 10.944 ( 2.519 2.693 -3.109) 4.824 11.204 ( 0.232 -6.966 0.710) 7.006 11.204 ( 0.232 6.966 0.710) 7.006 11.369 ( 0.316 -8.677 -3.208) 9.256 11.369 ( 0.316 8.677 -3.208) 9.256 11.646 ( -2.788 -5.516 5.142) 8.040 11.646 ( -2.788 5.516 5.142) 8.040 11.983 ( -5.150 -1.104 -2.318) 5.754 11.983 ( -5.150 1.104 -2.318) 5.754 12.079 ( 3.440 -3.063 -0.643) 4.650 12.079 ( 3.440 3.063 -0.643) 4.650 12.446 ( -1.129 -0.951 1.096) 1.838 12.446 ( -1.129 0.951 1.096) 1.838 12.553 ( 3.275 -4.449 -2.057) 5.895 12.553 ( 3.275 4.449 -2.057) 5.895 12.733 ( 5.321 -5.074 -3.343) 8.077 12.733 ( 5.321 5.074 -3.343) 8.077 12.878 ( -0.819 -2.100 -0.201) 2.263 12.878 ( -0.819 2.100 -0.201) 2.263 13.128 ( 1.148 -3.370 2.006) 4.086 13.128 ( 1.148 3.370 2.006) 4.086 13.376 ( -2.953 -1.700 -0.131) 3.410 13.376 ( -2.953 1.700 -0.131) 3.410 13.439 ( -3.433 -2.320 1.909) 4.562 13.439 ( -3.433 2.320 1.909) 4.562 13.744 ( 2.526 -3.497 7.216) 8.407 13.744 ( 2.526 3.497 7.216) 8.407 14.071 ( -6.519 -3.909 4.623) 8.896 14.071 ( -6.519 3.909 4.623) 8.896 14.236 ( -2.604 -3.245 -1.859) 4.557 14.236 ( -2.604 3.245 -1.859) 4.557 14.683 ( 10.712 -8.323 -17.004) 21.752 14.683 ( 10.712 8.323 -17.004) 21.752 15.089 ( -2.199 -1.777 0.932) 2.977 15.089 ( -2.199 1.777 0.932) 2.977 15.149 ( 1.542 -3.497 5.866) 7.001 15.149 ( 1.542 3.497 5.866) 7.001 15.353 ( 0.405 -4.795 2.573) 5.457 15.353 ( 0.405 4.795 2.573) 5.457 15.807 ( 0.638 -2.600 0.539) 2.731 15.807 ( 0.638 2.600 0.539) 2.731 15.909 ( 2.104 -2.798 -3.060) 4.650 15.909 ( 2.104 2.798 -3.060) 4.650 16.246 ( -1.727 -2.194 0.286) 2.807 16.246 ( -1.727 2.194 0.286) 2.807 16.341 ( -3.833 -2.811 -2.278) 5.271 16.341 ( -3.833 2.811 -2.278) 5.271 16.567 ( -3.267 -1.757 1.009) 3.844 16.567 ( -3.267 1.757 1.009) 3.844 16.870 ( -1.499 -6.040 2.391) 6.667 16.870 ( -1.499 6.040 2.391) 6.667 17.139 ( 2.778 -1.384 -0.292) 3.118 17.139 ( 2.778 1.384 -0.292) 3.118 17.453 ( -5.550 -5.103 3.962) 8.517 17.453 ( -5.550 5.103 3.962) 8.517 17.664 ( 3.103 -8.149 -0.068) 8.720 17.664 ( 3.103 8.149 -0.068) 8.720 19.503 ( 1.616 -0.238 0.906) 1.867 19.503 ( 1.616 0.238 0.906) 1.867 20.056 ( 4.536 -6.319 -5.927) 9.779 20.056 ( 4.536 6.319 -5.927) 9.779 21.273 ( -0.402 -2.656 -2.873) 3.933 21.273 ( -0.402 2.656 -2.873) 3.933 21.527 ( 1.381 -6.409 -0.138) 6.557 21.527 ( 1.381 6.409 -0.138) 6.557 22.534 ( 1.046 -10.842 -0.375) 10.899 22.534 ( 1.046 10.842 -0.375) 10.899 22.859 ( 8.976 -11.073 -3.452) 14.666 22.859 ( 8.976 11.073 -3.452) 14.666 24.385 ( -4.039 -2.102 0.869) 4.635 24.385 ( -4.039 2.102 0.869) 4.635 24.603 ( -1.712 -3.051 -5.033) 6.130 24.603 ( -1.712 3.051 -5.033) 6.130 25.472 ( -0.017 -6.624 1.060) 6.708 25.472 ( -0.017 6.624 1.060) 6.708 25.585 ( 5.857 -8.607 3.980) 11.145 25.585 ( 5.857 8.607 3.980) 11.145 26.761 ( 2.399 -1.370 7.717) 8.197 26.761 ( 2.399 1.370 7.717) 8.197 27.238 ( 1.291 -2.348 1.381) 3.015 27.238 ( 1.291 2.348 1.381) 3.015 27.893 ( 2.248 -2.896 2.642) 4.518 27.893 ( 2.248 2.896 2.642) 4.518 28.189 ( -1.881 -2.905 -1.680) 3.847 28.189 ( -1.881 2.905 -1.680) 3.847 28.783 ( 1.656 -2.282 -1.748) 3.317 28.783 ( 1.656 2.282 -1.748) 3.317 29.006 ( -1.529 -5.563 -0.082) 5.770 29.006 ( -1.529 5.563 -0.082) 5.770 29.423 ( -9.019 -0.479 1.220) 9.114 29.423 ( -9.019 0.479 1.220) 9.114 29.479 ( -12.277 -2.091 0.383) 12.460 29.479 ( -12.277 2.091 0.383) 12.460 30.853 ( 2.133 -4.540 -0.490) 5.041 30.853 ( 2.133 4.540 -0.490) 5.041 30.996 ( -11.372 -6.414 0.651) 13.072 30.996 ( -11.372 6.414 0.651) 13.072 31.994 ( -0.987 -9.776 1.574) 9.951 31.994 ( -0.987 9.776 1.574) 9.951 32.476 ( 0.444 -0.659 -3.327) 3.421 32.476 ( 0.444 0.659 -3.327) 3.421 32.700 ( 1.445 -5.872 0.757) 6.094 32.700 ( 1.445 5.872 0.757) 6.094 33.251 ( 10.380 -1.798 -6.363) 12.307 33.251 ( 10.380 1.798 -6.363) 12.307 99.266 ( -0.351 -1.795 -0.636) 1.937 99.266 ( -0.351 1.795 -0.636) 1.937 99.462 ( 1.684 -1.930 1.275) 2.861 99.462 ( 1.684 1.930 1.275) 2.861 102.368 ( -0.328 -4.948 2.961) 5.775 102.368 ( -0.328 4.948 2.961) 5.775 102.526 ( 1.335 -4.479 -0.087) 4.675 102.526 ( 1.335 4.479 -0.087) 4.675 107.332 ( -0.461 -0.624 -0.003) 0.776 107.332 ( -0.461 0.624 -0.003) 0.776 107.474 ( 1.203 -0.554 -1.221) 1.801 107.474 ( 1.203 0.554 -1.221) 1.801 109.318 ( -0.350 -0.244 -0.411) 0.593 109.318 ( -0.350 0.244 -0.411) 0.593 109.345 ( -0.464 -0.255 0.221) 0.574 109.345 ( -0.464 0.255 0.221) 0.574 ======================= Grid point 105 (49/78) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 1.462 0.000 33.071) 33.104 1.624 ( -13.752 0.000 32.048) 34.873 2.380 ( -0.872 0.000 -21.524) 21.542 2.485 ( 10.205 0.000 -23.358) 25.490 2.697 ( -16.621 0.000 36.124) 39.765 3.016 ( 9.593 0.000 -3.299) 10.145 3.343 ( -8.035 0.000 13.135) 15.398 3.827 ( 11.744 0.000 -20.317) 23.467 3.952 ( 6.262 0.000 -2.140) 6.618 4.094 ( 3.158 0.000 -16.364) 16.666 4.201 ( 3.374 0.000 7.557) 8.276 4.255 ( -8.917 0.000 5.556) 10.506 4.447 ( -1.756 0.000 7.887) 8.080 4.667 ( 0.137 0.000 -9.077) 9.078 4.815 ( 13.129 0.000 -2.955) 13.457 4.816 ( -7.022 0.000 -1.312) 7.143 4.987 ( -0.431 0.000 -5.500) 5.516 5.030 ( 1.358 0.000 -21.307) 21.350 5.148 ( -1.094 0.000 -3.999) 4.146 5.155 ( 0.646 0.000 -1.863) 1.972 5.368 ( -1.407 0.000 5.053) 5.245 5.476 ( 2.042 0.000 -4.594) 5.028 5.729 ( -3.722 0.000 4.948) 6.191 5.783 ( -0.427 0.000 3.292) 3.320 5.890 ( -14.966 0.000 1.775) 15.071 5.936 ( 5.566 0.000 1.361) 5.730 6.024 ( 9.670 0.000 4.945) 10.861 6.103 ( -1.635 0.000 -1.574) 2.269 6.221 ( 3.861 0.000 0.223) 3.868 6.302 ( -3.643 0.000 -3.345) 4.946 6.406 ( -3.392 0.000 3.435) 4.828 6.447 ( 3.856 0.000 -4.446) 5.885 6.716 ( 1.327 0.000 8.162) 8.269 6.814 ( -2.699 0.000 1.777) 3.232 6.882 ( -1.261 0.000 3.709) 3.917 6.901 ( 4.414 0.000 -2.943) 5.305 7.240 ( -4.473 0.000 -3.039) 5.407 7.270 ( 0.588 0.000 -1.985) 2.070 7.322 ( 0.446 0.000 1.262) 1.339 7.372 ( -0.777 0.000 -3.378) 3.466 7.475 ( -0.534 0.000 3.550) 3.590 7.534 ( -1.135 0.000 -1.321) 1.742 7.561 ( 6.011 0.000 5.592) 8.210 7.654 ( -4.339 0.000 -3.880) 5.821 7.816 ( -5.935 0.000 4.069) 7.196 7.912 ( 8.737 0.000 -4.843) 9.989 8.063 ( -3.099 0.000 3.539) 4.704 8.157 ( -2.594 0.000 -5.966) 6.505 8.313 ( 3.384 0.000 5.802) 6.717 8.340 ( -4.707 0.000 6.378) 7.927 8.463 ( -8.485 0.000 0.296) 8.490 8.508 ( 8.597 0.000 -2.545) 8.966 8.698 ( -4.962 0.000 6.400) 8.098 8.780 ( -5.281 0.000 8.067) 9.642 8.877 ( 5.844 0.000 -6.739) 8.920 8.908 ( 4.812 0.000 2.986) 5.664 8.987 ( -2.612 0.000 -1.188) 2.870 9.086 ( 1.416 0.000 -4.240) 4.470 9.192 ( 1.599 0.000 6.935) 7.117 9.275 ( 2.953 0.000 4.135) 5.081 9.282 ( -8.068 0.000 0.745) 8.102 9.379 ( -0.595 0.000 -9.243) 9.262 9.540 ( 2.933 0.000 -4.427) 5.310 9.587 ( 3.860 0.000 -8.636) 9.459 9.649 ( -0.443 0.000 6.002) 6.018 9.738 ( -1.240 0.000 -2.118) 2.454 10.061 ( 4.787 0.000 1.494) 5.014 10.079 ( -1.618 0.000 -0.411) 1.669 10.261 ( 1.585 0.000 2.785) 3.205 10.312 ( -6.518 0.000 -0.492) 6.537 10.365 ( 1.341 0.000 2.226) 2.599 10.371 ( 6.598 0.000 -0.142) 6.600 10.514 ( 2.431 0.000 1.818) 3.035 10.558 ( -4.080 0.000 1.369) 4.303 10.645 ( 1.851 0.000 0.590) 1.943 10.735 ( -4.415 0.000 -4.354) 6.201 10.881 ( -3.046 0.000 1.357) 3.335 10.956 ( 11.288 0.000 -2.509) 11.563 11.117 ( -16.278 0.000 2.354) 16.447 11.128 ( 12.052 0.000 1.466) 12.141 11.423 ( -2.201 0.000 -0.041) 2.202 11.495 ( 4.131 0.000 -5.012) 6.495 11.562 ( 4.842 0.000 7.882) 9.250 11.724 ( -8.722 0.000 -4.799) 9.955 11.874 ( -0.224 0.000 7.637) 7.640 11.946 ( 3.868 0.000 2.401) 4.553 12.081 ( -5.903 0.000 -3.711) 6.972 12.081 ( 2.741 0.000 -4.956) 5.663 12.200 ( -0.633 0.000 1.803) 1.911 12.285 ( 1.130 0.000 -1.921) 2.229 12.484 ( 1.783 0.000 0.191) 1.793 12.546 ( 1.384 0.000 -3.885) 4.124 12.875 ( 2.634 0.000 3.125) 4.087 12.931 ( -1.431 0.000 -0.315) 1.466 12.948 ( 1.548 0.000 -2.496) 2.937 12.952 ( -0.264 0.000 -3.183) 3.194 13.144 ( 0.281 0.000 3.029) 3.042 13.186 ( 5.713 0.000 2.591) 6.273 13.195 ( -1.722 0.000 -2.606) 3.123 13.254 ( -6.023 0.000 -3.319) 6.877 13.491 ( -3.980 0.000 4.391) 5.926 13.579 ( -5.250 0.000 11.118) 12.295 13.585 ( 1.006 0.000 -3.718) 3.852 13.833 ( 3.455 0.000 -11.472) 11.981 13.939 ( 3.953 0.000 3.993) 5.619 13.943 ( -6.911 0.000 3.783) 7.879 14.031 ( 0.592 0.000 2.865) 2.925 14.147 ( -0.033 0.000 -6.775) 6.775 14.602 ( -4.516 0.000 0.645) 4.562 14.696 ( 8.624 0.000 -8.430) 12.060 15.104 ( 4.620 0.000 3.030) 5.525 15.130 ( -4.439 0.000 0.911) 4.532 15.327 ( 0.024 0.000 8.809) 8.809 15.399 ( -2.163 0.000 1.502) 2.633 15.424 ( 9.515 0.000 -0.714) 9.542 15.531 ( 0.610 0.000 -10.017) 10.036 15.761 ( -4.689 0.000 -1.844) 5.039 15.767 ( 4.497 0.000 -2.595) 5.192 15.890 ( 2.809 0.000 3.726) 4.666 15.946 ( 2.666 0.000 -1.471) 3.044 16.199 ( 1.613 0.000 0.985) 1.891 16.233 ( -4.061 0.000 -0.741) 4.128 16.240 ( -2.582 0.000 -1.126) 2.817 16.251 ( 4.501 0.000 -0.502) 4.529 16.680 ( -5.993 0.000 6.749) 9.026 16.756 ( -2.941 0.000 0.617) 3.005 16.842 ( 3.859 0.000 -0.007) 3.859 16.878 ( -1.234 0.000 -2.497) 2.785 17.250 ( 0.475 0.000 3.698) 3.728 17.322 ( -0.479 0.000 -2.315) 2.364 17.351 ( -3.360 0.000 4.168) 5.354 17.394 ( 2.164 0.000 0.102) 2.166 17.670 ( -4.302 0.000 4.926) 6.540 17.821 ( 0.394 0.000 -8.118) 8.128 19.580 ( 1.505 0.000 0.979) 1.796 19.591 ( -0.446 0.000 -0.136) 0.466 19.775 ( -8.768 0.000 4.308) 9.770 19.929 ( 4.645 0.000 -10.135) 11.149 21.203 ( 5.701 0.000 1.543) 5.906 21.254 ( -3.264 0.000 -3.052) 4.469 21.421 ( 2.117 0.000 2.599) 3.352 21.470 ( -2.609 0.000 -2.070) 3.330 22.092 ( 2.463 0.000 5.951) 6.441 22.214 ( -2.369 0.000 -5.398) 5.895 22.936 ( 0.076 0.000 3.791) 3.792 23.015 ( -0.921 0.000 -3.397) 3.520 24.333 ( -0.591 0.000 3.032) 3.089 24.411 ( 1.098 0.000 -4.253) 4.392 24.451 ( -0.841 0.000 0.768) 1.139 24.469 ( 0.776 0.000 -0.838) 1.142 25.194 ( -2.411 0.000 2.864) 3.743 25.243 ( 2.158 0.000 -1.623) 2.700 26.075 ( -2.588 0.000 0.220) 2.597 26.077 ( 1.000 0.000 0.112) 1.006 26.949 ( 0.273 0.000 6.711) 6.716 27.065 ( -1.477 0.000 -4.260) 4.509 27.329 ( -1.432 0.000 0.978) 1.734 27.344 ( -0.484 0.000 -0.368) 0.608 27.863 ( -6.607 0.000 6.687) 9.401 28.016 ( 2.214 0.000 -6.789) 7.141 28.088 ( -0.036 0.000 1.186) 1.186 28.094 ( 1.715 0.000 -0.201) 1.727 28.932 ( -9.319 0.000 3.235) 9.864 28.955 ( -0.536 0.000 0.115) 0.549 28.992 ( 13.230 0.000 0.557) 13.242 29.058 ( -7.306 0.000 -3.920) 8.291 29.266 ( 22.071 0.000 0.995) 22.093 29.326 ( -12.238 0.000 -3.653) 12.771 29.563 ( 0.737 0.000 2.220) 2.339 29.573 ( 9.326 0.000 1.594) 9.462 30.649 ( 0.362 0.000 -0.865) 0.938 30.667 ( -1.408 0.000 -2.469) 2.842 31.204 ( 14.515 0.000 4.312) 15.142 31.279 ( -26.884 0.000 -2.855) 27.035 31.720 ( 2.405 0.000 0.605) 2.480 31.722 ( -3.198 0.000 0.685) 3.271 32.313 ( 0.708 0.000 2.239) 2.348 32.387 ( 0.650 0.000 -4.654) 4.699 32.616 ( 1.189 0.000 1.607) 1.999 32.649 ( -1.120 0.000 -1.302) 1.717 33.053 ( -1.122 0.000 0.927) 1.455 33.079 ( 0.702 0.000 -1.514) 1.669 99.229 ( -0.662 0.000 1.024) 1.219 99.256 ( 0.625 0.000 -1.590) 1.708 99.465 ( 1.330 0.000 1.975) 2.381 99.500 ( -3.012 0.000 -1.329) 3.292 102.282 ( -0.537 0.000 2.411) 2.470 102.335 ( -0.068 0.000 -2.619) 2.619 102.700 ( 3.201 0.000 0.402) 3.226 102.704 ( -7.053 0.000 0.102) 7.054 107.326 ( 0.755 0.000 0.436) 0.871 107.334 ( -0.713 0.000 -0.336) 0.788 107.374 ( 0.918 0.000 1.598) 1.843 107.414 ( -0.817 0.000 -2.049) 2.206 109.310 ( -0.135 0.000 -0.062) 0.149 109.311 ( 0.234 0.000 -0.033) 0.236 109.350 ( -1.143 0.000 0.652) 1.316 109.362 ( 1.940 0.000 -0.501) 2.004 ======================= Grid point 106 (50/78) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 8.291 0.000 24.191) 25.572 2.037 ( 20.725 0.000 23.610) 31.416 2.294 ( 12.941 0.000 -22.904) 26.307 2.588 ( 12.860 0.000 -6.373) 14.353 2.726 ( 5.585 0.000 -0.610) 5.618 3.317 ( 19.095 0.000 4.066) 19.523 3.472 ( 4.239 0.000 23.526) 23.904 3.731 ( -14.247 0.000 -8.406) 16.542 3.858 ( -9.825 0.000 -1.151) 9.892 3.997 ( 8.765 0.000 -23.831) 25.392 4.185 ( 4.153 0.000 -6.345) 7.584 4.392 ( 5.782 0.000 6.847) 8.962 4.495 ( -2.720 0.000 15.791) 16.023 4.557 ( -5.919 0.000 -8.230) 10.137 4.655 ( 2.077 0.000 -16.882) 17.009 4.908 ( -1.555 0.000 -5.067) 5.300 4.963 ( 3.983 0.000 -1.995) 4.454 4.968 ( 2.345 0.000 0.310) 2.365 5.169 ( 1.346 0.000 -0.103) 1.350 5.179 ( 4.646 0.000 -2.619) 5.333 5.430 ( 1.095 0.000 1.760) 2.072 5.518 ( 5.872 0.000 -4.122) 7.175 5.570 ( -16.498 0.000 6.297) 17.659 5.710 ( 0.641 0.000 5.622) 5.658 5.878 ( 4.916 0.000 -0.486) 4.940 5.956 ( -3.969 0.000 0.527) 4.004 6.025 ( -2.182 0.000 -6.587) 6.939 6.162 ( -0.591 0.000 2.118) 2.199 6.354 ( 3.967 0.000 0.543) 4.004 6.398 ( 2.139 0.000 9.644) 9.878 6.426 ( 5.160 0.000 5.247) 7.359 6.496 ( 12.996 0.000 -11.089) 17.084 6.748 ( -3.883 0.000 4.478) 5.927 6.766 ( 1.191 0.000 -3.198) 3.413 6.870 ( -2.732 0.000 -2.255) 3.542 6.929 ( 2.142 0.000 -3.499) 4.102 7.138 ( -5.453 0.000 4.757) 7.237 7.250 ( -2.298 0.000 3.662) 4.324 7.282 ( -5.018 0.000 -3.067) 5.881 7.354 ( 0.728 0.000 0.179) 0.749 7.461 ( -4.532 0.000 7.662) 8.902 7.500 ( -1.048 0.000 -0.449) 1.140 7.607 ( 3.402 0.000 -5.141) 6.165 7.730 ( -4.279 0.000 -3.433) 5.486 7.773 ( 8.417 0.000 1.532) 8.556 8.009 ( 4.277 0.000 0.273) 4.286 8.068 ( -4.583 0.000 4.117) 6.161 8.101 ( 1.664 0.000 1.893) 2.520 8.264 ( -5.902 0.000 -1.622) 6.121 8.320 ( -4.921 0.000 -1.474) 5.137 8.360 ( -3.237 0.000 5.605) 6.472 8.606 ( 3.080 0.000 0.992) 3.236 8.640 ( -6.518 0.000 9.281) 11.342 8.792 ( -0.933 0.000 3.964) 4.072 8.836 ( -2.679 0.000 -8.697) 9.100 8.924 ( -3.396 0.000 8.244) 8.916 9.035 ( 5.442 0.000 -5.308) 7.602 9.097 ( -1.185 0.000 3.130) 3.347 9.153 ( -4.777 0.000 -8.184) 9.476 9.178 ( -3.442 0.000 6.102) 7.006 9.254 ( 1.348 0.000 -6.481) 6.620 9.445 ( 4.883 0.000 9.965) 11.097 9.519 ( -2.550 0.000 -2.356) 3.472 9.612 ( 2.314 0.000 -7.949) 8.279 9.684 ( -0.310 0.000 -1.148) 1.189 9.733 ( 4.821 0.000 1.258) 4.983 9.974 ( -7.122 0.000 -3.339) 7.866 10.120 ( 1.490 0.000 -0.468) 1.562 10.195 ( -3.588 0.000 1.342) 3.830 10.218 ( -6.777 0.000 -2.215) 7.130 10.399 ( 1.413 0.000 -0.981) 1.720 10.415 ( 0.903 0.000 -2.204) 2.382 10.493 ( -3.067 0.000 -3.513) 4.663 10.586 ( -5.582 0.000 3.040) 6.356 10.618 ( 0.338 0.000 1.747) 1.779 10.689 ( 0.882 0.000 1.076) 1.391 10.867 ( 2.626 0.000 -4.519) 5.227 10.918 ( -4.382 0.000 4.271) 6.119 11.131 ( 9.900 0.000 -5.035) 11.106 11.272 ( -1.187 0.000 1.084) 1.607 11.362 ( -3.913 0.000 0.705) 3.976 11.467 ( -10.085 0.000 -4.020) 10.856 11.573 ( 8.307 0.000 -5.386) 9.900 11.652 ( -1.268 0.000 8.599) 8.691 11.948 ( -1.079 0.000 4.318) 4.450 11.982 ( 3.441 0.000 0.298) 3.454 12.073 ( 7.913 0.000 -6.951) 10.532 12.164 ( 4.442 0.000 1.117) 4.580 12.215 ( 0.688 0.000 2.116) 2.225 12.347 ( 4.730 0.000 2.311) 5.265 12.512 ( 0.976 0.000 -2.807) 2.972 12.532 ( 1.522 0.000 -3.572) 3.883 12.869 ( -3.756 0.000 -5.960) 7.045 12.891 ( -2.784 0.000 -0.193) 2.790 12.924 ( -3.457 0.000 -1.512) 3.773 12.948 ( 2.212 0.000 2.715) 3.502 13.103 ( -4.865 0.000 -6.128) 7.825 13.112 ( -4.700 0.000 5.614) 7.322 13.191 ( 4.060 0.000 1.128) 4.214 13.269 ( -3.916 0.000 1.136) 4.078 13.474 ( 2.188 0.000 6.266) 6.637 13.544 ( -2.774 0.000 -1.360) 3.089 13.677 ( 5.370 0.000 11.087) 12.319 13.788 ( -1.574 0.000 -5.641) 5.857 13.921 ( 0.750 0.000 3.454) 3.535 14.092 ( 3.265 0.000 0.326) 3.281 14.112 ( 0.922 0.000 -4.274) 4.372 14.152 ( 11.750 0.000 2.952) 12.115 14.449 ( -9.162 0.000 1.373) 9.264 14.738 ( 3.806 0.000 -8.655) 9.455 15.027 ( -4.575 0.000 -0.526) 4.606 15.173 ( 0.357 0.000 0.923) 0.990 15.315 ( -4.848 0.000 -3.230) 5.825 15.411 ( -0.144 0.000 8.950) 8.951 15.487 ( 2.588 0.000 -9.926) 10.258 15.538 ( 4.114 0.000 -4.987) 6.465 15.761 ( 4.539 0.000 -0.641) 4.584 15.882 ( 3.969 0.000 -0.509) 4.002 15.933 ( 2.216 0.000 -5.074) 5.537 15.953 ( 2.635 0.000 0.252) 2.647 16.146 ( -0.858 0.000 -5.480) 5.547 16.197 ( -0.877 0.000 0.434) 0.978 16.227 ( -0.154 0.000 4.388) 4.391 16.323 ( 3.973 0.000 -3.440) 5.256 16.616 ( -7.662 0.000 9.078) 11.880 16.708 ( -3.061 0.000 2.765) 4.125 16.821 ( -1.994 0.000 -3.710) 4.212 16.883 ( -1.563 0.000 4.052) 4.343 17.245 ( -3.136 0.000 -2.332) 3.908 17.246 ( -4.320 0.000 2.481) 4.982 17.337 ( -1.742 0.000 2.005) 2.656 17.451 ( 3.284 0.000 0.537) 3.328 17.686 ( -0.840 0.000 7.234) 7.283 17.731 ( -2.986 0.000 -4.099) 5.072 19.552 ( -2.315 0.000 -0.592) 2.389 19.559 ( -4.059 0.000 0.114) 4.060 19.749 ( 0.208 0.000 9.393) 9.395 19.960 ( 3.474 0.000 -5.997) 6.931 21.169 ( -1.591 0.000 -3.436) 3.786 21.305 ( 3.780 0.000 -0.145) 3.783 21.403 ( -2.563 0.000 -1.686) 3.068 21.490 ( 2.448 0.000 2.593) 3.566 22.100 ( -4.345 0.000 -5.550) 7.048 22.174 ( 0.740 0.000 5.522) 5.571 22.942 ( -2.908 0.000 4.330) 5.216 22.944 ( -3.353 0.000 -3.040) 4.526 24.388 ( 3.211 0.000 2.943) 4.356 24.429 ( 3.889 0.000 -2.746) 4.760 24.495 ( 4.851 0.000 -1.055) 4.964 24.505 ( 3.276 0.000 -0.623) 3.335 25.159 ( -3.445 0.000 2.451) 4.228 25.261 ( 1.460 0.000 -1.874) 2.376 25.963 ( -9.486 0.000 1.823) 9.659 26.032 ( -5.617 0.000 1.018) 5.709 26.968 ( -4.225 0.000 -2.957) 5.157 26.973 ( -3.439 0.000 5.601) 6.572 27.264 ( -5.547 0.000 -0.019) 5.547 27.295 ( -4.012 0.000 2.715) 4.845 27.892 ( 0.854 0.000 8.443) 8.486 28.047 ( 2.543 0.000 -0.848) 2.681 28.084 ( -1.425 0.000 -1.040) 1.764 28.132 ( 4.190 0.000 -4.049) 5.827 28.711 ( -14.648 0.000 -0.186) 14.649 28.817 ( -6.077 0.000 0.117) 6.078 29.064 ( 1.245 0.000 0.555) 1.363 29.088 ( -4.909 0.000 -7.199) 8.713 29.336 ( 20.152 0.000 2.350) 20.289 29.448 ( 5.556 0.000 0.856) 5.621 29.659 ( 8.529 0.000 -1.453) 8.652 29.870 ( 16.260 0.000 -14.746) 21.951 30.694 ( 4.732 0.000 -0.694) 4.783 30.705 ( -0.784 0.000 3.999) 4.075 30.970 ( 0.657 0.000 0.177) 0.680 31.537 ( 10.981 0.000 11.193) 15.680 31.693 ( -0.475 0.000 0.210) 0.519 31.805 ( 5.426 0.000 3.141) 6.270 32.345 ( 0.824 0.000 1.568) 1.771 32.348 ( -0.541 0.000 -4.264) 4.298 32.613 ( -1.055 0.000 -1.526) 1.855 32.651 ( 1.020 0.000 1.452) 1.774 32.998 ( -5.503 0.000 1.360) 5.668 33.039 ( -3.547 0.000 -0.825) 3.642 99.230 ( -0.247 0.000 1.183) 1.209 99.258 ( 0.779 0.000 -1.235) 1.460 99.434 ( -2.889 0.000 0.085) 2.890 99.495 ( -0.359 0.000 2.417) 2.444 102.291 ( -0.769 0.000 2.760) 2.865 102.307 ( -0.830 0.000 -1.485) 1.701 102.596 ( -4.982 0.000 2.840) 5.734 102.741 ( -0.707 0.000 1.844) 1.975 107.324 ( -0.007 0.000 -0.323) 0.323 107.350 ( 1.284 0.000 0.331) 1.326 107.384 ( -0.508 0.000 -1.629) 1.706 107.410 ( 1.268 0.000 1.344) 1.848 109.306 ( -0.226 0.000 -0.142) 0.267 109.316 ( 0.360 0.000 -0.084) 0.370 109.338 ( -0.254 0.000 0.232) 0.344 109.389 ( 1.475 0.000 -1.189) 1.894 ======================= Grid point 107 (51/78) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 23.408 0.000 15.991) 28.348 2.457 ( 19.452 0.000 -17.587) 26.223 2.623 ( 23.601 0.000 9.542) 25.457 2.810 ( 12.967 0.000 1.468) 13.049 3.004 ( 26.410 0.000 -7.606) 27.483 3.356 ( -13.662 0.000 -6.186) 14.997 3.677 ( -9.483 0.000 8.379) 12.655 3.697 ( 15.237 0.000 -7.661) 17.055 3.767 ( 7.460 0.000 10.185) 12.625 3.921 ( -0.048 0.000 -0.425) 0.428 4.281 ( 10.745 0.000 -22.421) 24.862 4.407 ( -3.479 0.000 0.781) 3.565 4.429 ( -2.930 0.000 2.709) 3.990 4.667 ( 20.717 0.000 -21.881) 30.133 4.683 ( 4.240 0.000 16.698) 17.227 4.864 ( -2.635 0.000 7.266) 7.729 4.935 ( -2.688 0.000 -7.658) 8.116 5.076 ( 4.546 0.000 4.036) 6.079 5.203 ( 0.143 0.000 4.217) 4.219 5.241 ( 2.906 0.000 -0.205) 2.913 5.390 ( -5.405 0.000 2.005) 5.765 5.423 ( -0.604 0.000 3.282) 3.337 5.606 ( 3.688 0.000 1.875) 4.137 5.803 ( -7.041 0.000 -0.388) 7.051 5.846 ( 2.154 0.000 4.078) 4.612 5.911 ( 1.504 0.000 -5.565) 5.765 5.990 ( 0.941 0.000 1.763) 1.998 6.165 ( -0.731 0.000 2.512) 2.616 6.345 ( -3.487 0.000 0.556) 3.531 6.377 ( -4.261 0.000 2.103) 4.752 6.617 ( 4.003 0.000 -0.050) 4.003 6.645 ( 5.297 0.000 -4.622) 7.030 6.684 ( -5.115 0.000 0.885) 5.191 6.723 ( -3.473 0.000 -2.940) 4.551 6.882 ( 11.802 0.000 -5.231) 12.909 6.941 ( -0.227 0.000 -1.076) 1.100 7.080 ( -4.418 0.000 1.869) 4.797 7.204 ( -2.750 0.000 1.308) 3.045 7.233 ( -6.850 0.000 2.364) 7.247 7.304 ( -3.647 0.000 3.637) 5.151 7.386 ( -6.118 0.000 2.240) 6.515 7.497 ( 0.562 0.000 0.186) 0.592 7.602 ( -3.102 0.000 -2.753) 4.147 7.650 ( 2.120 0.000 -8.373) 8.637 7.787 ( -11.344 0.000 -2.722) 11.666 8.008 ( -1.229 0.000 3.778) 3.973 8.043 ( -0.702 0.000 0.386) 0.801 8.151 ( 3.923 0.000 -1.540) 4.215 8.189 ( -0.272 0.000 -3.286) 3.298 8.273 ( -0.682 0.000 3.081) 3.155 8.290 ( -9.263 0.000 5.524) 10.785 8.622 ( -3.634 0.000 10.109) 10.743 8.643 ( -4.136 0.000 1.891) 4.548 8.706 ( -3.113 0.000 0.683) 3.187 8.756 ( -0.707 0.000 0.200) 0.734 8.956 ( -1.449 0.000 -12.800) 12.881 8.974 ( -0.051 0.000 5.370) 5.371 9.034 ( -0.819 0.000 0.712) 1.086 9.189 ( 7.644 0.000 0.175) 7.646 9.198 ( -0.357 0.000 2.604) 2.628 9.331 ( 6.241 0.000 -4.428) 7.653 9.464 ( -0.714 0.000 1.210) 1.405 9.469 ( -9.711 0.000 -1.081) 9.771 9.603 ( 1.714 0.000 10.283) 10.425 9.736 ( 3.680 0.000 1.240) 3.884 9.754 ( -2.177 0.000 -2.496) 3.312 9.897 ( 1.784 0.000 -0.903) 1.999 10.053 ( -5.282 0.000 -4.753) 7.106 10.129 ( -1.350 0.000 -2.063) 2.465 10.166 ( -1.256 0.000 0.127) 1.262 10.345 ( -3.329 0.000 -4.298) 5.436 10.357 ( -3.433 0.000 -5.298) 6.312 10.444 ( 2.026 0.000 -2.125) 2.936 10.490 ( -4.133 0.000 2.751) 4.965 10.634 ( -0.770 0.000 2.625) 2.736 10.717 ( 2.175 0.000 -1.234) 2.501 10.882 ( 0.585 0.000 -1.480) 1.591 10.956 ( 3.177 0.000 1.210) 3.399 11.176 ( -4.780 0.000 -3.727) 6.061 11.220 ( -0.438 0.000 1.918) 1.968 11.335 ( 3.966 0.000 -2.862) 4.891 11.381 ( 2.693 0.000 0.411) 2.724 11.665 ( 4.673 0.000 -3.871) 6.068 11.692 ( -0.985 0.000 6.567) 6.641 11.911 ( -2.634 0.000 0.557) 2.692 12.047 ( -3.122 0.000 2.004) 3.709 12.065 ( -0.391 0.000 -8.160) 8.170 12.307 ( 6.930 0.000 0.776) 6.973 12.337 ( 7.822 0.000 5.313) 9.455 12.345 ( -5.084 0.000 -4.526) 6.806 12.519 ( 2.546 0.000 -1.943) 3.203 12.571 ( 5.479 0.000 -1.832) 5.777 12.762 ( -5.899 0.000 2.540) 6.423 12.820 ( -3.233 0.000 2.003) 3.803 12.822 ( -3.639 0.000 -0.164) 3.643 12.960 ( -3.852 0.000 -9.096) 9.878 13.009 ( 0.386 0.000 0.211) 0.440 13.085 ( -2.719 0.000 7.821) 8.280 13.164 ( -4.637 0.000 -1.608) 4.908 13.351 ( 8.058 0.000 1.868) 8.272 13.476 ( -1.824 0.000 -1.036) 2.097 13.593 ( 3.100 0.000 5.107) 5.974 13.638 ( -8.446 0.000 -5.271) 9.956 13.886 ( 4.403 0.000 7.947) 9.085 13.996 ( 4.948 0.000 1.028) 5.053 14.129 ( 2.912 0.000 2.358) 3.747 14.145 ( 1.611 0.000 3.037) 3.438 14.227 ( -2.047 0.000 -1.098) 2.323 14.524 ( 10.630 0.000 6.094) 12.253 14.728 ( 4.072 0.000 -9.840) 10.649 14.971 ( -1.145 0.000 0.180) 1.159 15.138 ( -3.064 0.000 -1.385) 3.362 15.231 ( -0.288 0.000 -3.312) 3.324 15.463 ( -2.124 0.000 7.952) 8.231 15.468 ( 3.311 0.000 -7.615) 8.303 15.495 ( -3.173 0.000 -3.970) 5.082 15.768 ( -1.455 0.000 -5.674) 5.858 15.808 ( -7.204 0.000 3.465) 7.994 16.032 ( 8.396 0.000 -9.191) 12.449 16.051 ( 5.527 0.000 1.754) 5.799 16.100 ( -0.160 0.000 -2.001) 2.007 16.262 ( 9.198 0.000 -5.482) 10.708 16.269 ( 0.167 0.000 5.667) 5.670 16.346 ( 3.543 0.000 -7.039) 7.881 16.537 ( -7.729 0.000 6.269) 9.952 16.687 ( -2.124 0.000 3.787) 4.342 16.764 ( -0.856 0.000 -0.374) 0.934 16.869 ( -3.722 0.000 6.565) 7.547 17.131 ( -7.252 0.000 -0.603) 7.277 17.171 ( -2.766 0.000 -2.831) 3.958 17.307 ( -2.876 0.000 1.286) 3.151 17.508 ( 2.290 0.000 -0.725) 2.403 17.683 ( -2.325 0.000 4.284) 4.874 17.732 ( 0.752 0.000 2.976) 3.070 19.479 ( -4.429 0.000 0.851) 4.510 19.519 ( -1.047 0.000 0.824) 1.333 19.862 ( 2.124 0.000 9.458) 9.693 19.914 ( -2.382 0.000 -6.645) 7.059 21.163 ( 2.296 0.000 -0.441) 2.338 21.350 ( 1.720 0.000 -0.929) 1.955 21.353 ( -1.679 0.000 0.255) 1.698 21.546 ( 1.454 0.000 1.387) 2.009 21.972 ( -4.707 0.000 -3.623) 5.940 22.206 ( -1.370 0.000 3.376) 3.644 22.852 ( -3.521 0.000 -2.230) 4.167 22.903 ( -4.708 0.000 4.051) 6.211 24.484 ( 4.120 0.000 2.280) 4.709 24.504 ( 5.280 0.000 -1.130) 5.400 24.568 ( 3.155 0.000 0.350) 3.174 24.596 ( 6.946 0.000 -2.848) 7.508 25.117 ( -2.718 0.000 2.357) 3.597 25.274 ( 1.901 0.000 -2.327) 3.005 25.767 ( -11.989 0.000 1.634) 12.099 25.899 ( -8.659 0.000 0.832) 8.699 26.870 ( -3.308 0.000 -3.343) 4.703 26.904 ( -6.370 0.000 0.040) 6.371 27.153 ( -4.701 0.000 -0.332) 4.713 27.240 ( -4.136 0.000 2.465) 4.815 27.993 ( -1.244 0.000 1.698) 2.105 28.012 ( -1.216 0.000 5.243) 5.382 28.053 ( -2.120 0.000 -0.840) 2.280 28.125 ( 0.102 0.000 -7.600) 7.601 28.513 ( -4.494 0.000 2.248) 5.025 28.742 ( -3.782 0.000 1.994) 4.276 28.992 ( -0.418 0.000 -6.289) 6.303 29.049 ( -4.504 0.000 3.092) 5.464 29.615 ( 11.139 0.000 0.707) 11.162 29.750 ( 18.794 0.000 3.532) 19.123 29.845 ( 12.582 0.000 -3.727) 13.122 29.939 ( 5.805 0.000 -12.230) 13.538 30.680 ( -2.578 0.000 6.955) 7.417 30.800 ( 6.183 0.000 -0.785) 6.232 31.188 ( 17.352 0.000 -6.535) 18.542 31.714 ( 2.419 0.000 1.054) 2.638 31.726 ( 2.289 0.000 5.065) 5.558 31.972 ( 2.667 0.000 11.940) 12.234 32.305 ( -0.634 0.000 -2.820) 2.890 32.362 ( -0.897 0.000 1.081) 1.404 32.611 ( 2.611 0.000 0.127) 2.614 32.678 ( 0.755 0.000 0.968) 1.227 32.874 ( -8.344 0.000 1.211) 8.431 32.950 ( -4.569 0.000 -0.776) 4.634 99.239 ( 0.143 0.000 1.306) 1.314 99.265 ( 0.799 0.000 -0.887) 1.193 99.391 ( -1.827 0.000 0.155) 1.834 99.485 ( -2.257 0.000 1.332) 2.621 102.285 ( -0.616 0.000 -0.448) 0.762 102.299 ( -0.751 0.000 2.721) 2.823 102.547 ( -2.756 0.000 1.995) 3.402 102.687 ( -5.324 0.000 -0.256) 5.330 107.328 ( 0.544 0.000 -0.031) 0.545 107.371 ( -0.003 0.000 -0.300) 0.300 107.377 ( 1.312 0.000 -0.017) 1.312 107.438 ( 0.693 0.000 0.696) 0.982 109.304 ( 0.169 0.000 0.052) 0.177 109.322 ( 0.428 0.000 -0.162) 0.457 109.344 ( 0.469 0.000 0.385) 0.607 109.401 ( 0.937 0.000 -1.225) 1.543 ======================= Grid point 108 (52/78) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 14.358 0.000 -12.716) 19.180 2.908 ( 25.345 0.000 12.118) 28.093 3.072 ( 13.278 0.000 14.324) 19.531 3.142 ( 29.744 0.000 -20.004) 35.845 3.225 ( 8.412 0.000 -9.592) 12.758 3.446 ( 15.639 0.000 3.625) 16.053 3.653 ( -5.029 0.000 14.870) 15.697 3.729 ( 3.506 0.000 -8.918) 9.582 3.901 ( -3.495 0.000 -4.469) 5.673 3.926 ( 11.115 0.000 -2.803) 11.463 4.291 ( -7.128 0.000 1.340) 7.253 4.352 ( -8.187 0.000 1.269) 8.284 4.509 ( 24.901 0.000 -11.527) 27.440 4.727 ( -6.810 0.000 1.049) 6.890 4.847 ( 0.692 0.000 -3.028) 3.106 4.995 ( 1.890 0.000 12.506) 12.648 5.008 ( 16.451 0.000 -6.245) 17.597 5.101 ( -0.203 0.000 0.502) 0.542 5.210 ( -3.011 0.000 -0.049) 3.012 5.250 ( 2.191 0.000 1.083) 2.444 5.456 ( 9.784 0.000 0.624) 9.804 5.585 ( 10.980 0.000 8.946) 14.163 5.633 ( -6.925 0.000 -1.658) 7.121 5.704 ( 2.114 0.000 8.980) 9.225 5.870 ( -2.704 0.000 4.517) 5.264 5.919 ( 0.552 0.000 0.728) 0.914 6.007 ( -2.277 0.000 5.546) 5.996 6.210 ( 0.250 0.000 0.385) 0.459 6.229 ( -5.712 0.000 -6.656) 8.770 6.300 ( 0.448 0.000 -4.195) 4.219 6.406 ( -12.671 0.000 -4.551) 13.464 6.636 ( -3.811 0.000 4.615) 5.986 6.692 ( 1.448 0.000 -1.529) 2.106 6.828 ( 7.216 0.000 0.079) 7.217 6.843 ( -9.905 0.000 -0.460) 9.916 6.908 ( -5.409 0.000 -4.146) 6.816 7.025 ( -2.564 0.000 -0.805) 2.687 7.066 ( -5.223 0.000 -3.859) 6.494 7.125 ( -6.068 0.000 1.564) 6.266 7.324 ( 1.334 0.000 5.591) 5.748 7.357 ( -3.773 0.000 -8.876) 9.645 7.408 ( -6.378 0.000 -2.105) 6.717 7.469 ( -5.580 0.000 -0.100) 5.581 7.572 ( 1.307 0.000 1.447) 1.950 7.665 ( 3.363 0.000 -7.823) 8.515 7.977 ( -2.576 0.000 -3.472) 4.323 8.020 ( -5.847 0.000 2.044) 6.195 8.158 ( -0.332 0.000 0.720) 0.793 8.192 ( -3.019 0.000 -2.018) 3.632 8.210 ( 2.215 0.000 2.072) 3.033 8.281 ( -2.586 0.000 3.970) 4.738 8.496 ( -7.596 0.000 0.043) 7.596 8.647 ( -3.162 0.000 9.932) 10.423 8.680 ( -1.513 0.000 -5.032) 5.254 8.839 ( 6.514 0.000 1.263) 6.636 8.905 ( -4.840 0.000 -5.225) 7.123 8.930 ( 2.766 0.000 0.287) 2.781 9.096 ( 0.411 0.000 7.414) 7.426 9.188 ( -0.592 0.000 -0.797) 0.993 9.206 ( -7.532 0.000 1.241) 7.634 9.314 ( 5.059 0.000 -3.377) 6.083 9.480 ( -1.031 0.000 0.790) 1.299 9.537 ( 10.890 0.000 0.159) 10.891 9.607 ( -4.755 0.000 3.553) 5.936 9.773 ( 1.360 0.000 7.412) 7.536 9.783 ( -1.734 0.000 2.597) 3.123 9.927 ( -2.945 0.000 -3.166) 4.324 9.935 ( 1.593 0.000 -2.145) 2.671 10.083 ( -0.857 0.000 0.772) 1.153 10.106 ( -3.605 0.000 -3.168) 4.799 10.239 ( -2.631 0.000 -5.384) 5.992 10.331 ( 5.385 0.000 -1.740) 5.659 10.481 ( -0.290 0.000 2.358) 2.376 10.484 ( 4.476 0.000 -4.227) 6.156 10.662 ( -1.426 0.000 7.268) 7.406 10.740 ( 1.228 0.000 -1.523) 1.956 10.873 ( -0.149 0.000 -0.437) 0.462 11.011 ( 3.398 0.000 -3.374) 4.789 11.100 ( -0.461 0.000 -1.516) 1.584 11.198 ( -2.817 0.000 2.484) 3.756 11.434 ( 6.473 0.000 -0.280) 6.479 11.474 ( 2.459 0.000 3.642) 4.394 11.638 ( -3.598 0.000 -5.860) 6.876 11.705 ( -2.162 0.000 0.451) 2.208 11.886 ( 1.374 0.000 0.124) 1.380 11.952 ( -5.308 0.000 -2.925) 6.060 11.987 ( -2.447 0.000 0.795) 2.573 12.174 ( -7.892 0.000 -1.172) 7.979 12.392 ( 1.260 0.000 -1.921) 2.297 12.410 ( -3.417 0.000 0.913) 3.537 12.533 ( 1.666 0.000 -4.705) 4.991 12.682 ( -1.938 0.000 0.751) 2.078 12.720 ( 7.187 0.000 -1.352) 7.313 12.790 ( -3.942 0.000 -11.581) 12.234 12.813 ( -2.841 0.000 7.023) 7.576 12.819 ( 0.149 0.000 4.085) 4.088 12.982 ( -1.935 0.000 0.574) 2.018 13.082 ( 1.576 0.000 -0.852) 1.792 13.136 ( -1.486 0.000 2.936) 3.290 13.362 ( -3.548 0.000 1.879) 4.015 13.508 ( 1.100 0.000 0.698) 1.303 13.584 ( 6.629 0.000 0.366) 6.639 13.650 ( 0.920 0.000 1.477) 1.740 13.938 ( -1.505 0.000 0.801) 1.705 14.071 ( 2.015 0.000 -3.830) 4.327 14.180 ( -0.777 0.000 -4.554) 4.620 14.225 ( 3.043 0.000 4.920) 5.785 14.282 ( 7.528 0.000 7.747) 10.802 14.735 ( 2.502 0.000 -4.432) 5.090 14.747 ( 5.064 0.000 8.143) 9.590 14.977 ( 1.297 0.000 0.066) 1.299 15.076 ( -1.529 0.000 -3.184) 3.532 15.253 ( 4.684 0.000 0.551) 4.716 15.374 ( -5.327 0.000 -0.169) 5.330 15.472 ( 2.691 0.000 -5.683) 6.288 15.497 ( -1.133 0.000 4.821) 4.952 15.683 ( -0.524 0.000 -7.114) 7.133 15.699 ( -6.444 0.000 2.954) 7.089 16.042 ( -0.299 0.000 -2.966) 2.981 16.115 ( -0.567 0.000 0.513) 0.765 16.164 ( 9.452 0.000 -7.409) 12.010 16.314 ( 0.019 0.000 3.468) 3.468 16.383 ( 6.245 0.000 -4.433) 7.658 16.388 ( 8.154 0.000 -7.311) 10.952 16.433 ( -7.008 0.000 5.216) 8.736 16.689 ( -0.422 0.000 3.338) 3.365 16.788 ( 1.641 0.000 0.912) 1.878 16.873 ( -2.214 0.000 7.553) 7.871 17.009 ( -4.348 0.000 0.337) 4.361 17.080 ( -4.678 0.000 -1.799) 5.012 17.255 ( -3.411 0.000 1.182) 3.610 17.509 ( -1.067 0.000 -2.560) 2.773 17.685 ( -2.662 0.000 6.433) 6.962 17.756 ( 1.137 0.000 -1.366) 1.777 19.404 ( -4.221 0.000 1.079) 4.357 19.514 ( -0.961 0.000 0.724) 1.203 19.808 ( -1.557 0.000 -5.457) 5.675 19.962 ( 0.640 0.000 7.041) 7.070 21.210 ( 1.692 0.000 1.019) 1.975 21.356 ( 0.454 0.000 3.100) 3.133 21.363 ( 0.793 0.000 -1.436) 1.640 21.563 ( -0.035 0.000 -0.553) 0.555 21.872 ( -3.530 0.000 -0.549) 3.573 22.178 ( -3.050 0.000 0.299) 3.065 22.783 ( -2.010 0.000 -1.185) 2.334 22.840 ( -4.817 0.000 3.178) 5.771 24.573 ( 3.271 0.000 1.637) 3.658 24.597 ( 4.649 0.000 0.039) 4.650 24.627 ( 2.166 0.000 1.303) 2.528 24.696 ( 6.166 0.000 -4.061) 7.383 25.100 ( -1.141 0.000 2.470) 2.721 25.299 ( 2.901 0.000 -2.816) 4.043 25.553 ( -11.096 0.000 1.197) 11.160 25.733 ( -8.599 0.000 -0.196) 8.602 26.759 ( -5.382 0.000 -5.041) 7.374 26.780 ( -2.693 0.000 -4.633) 5.359 27.094 ( -2.466 0.000 1.665) 2.976 27.178 ( -3.952 0.000 1.561) 4.249 27.879 ( -4.916 0.000 -2.544) 5.536 27.938 ( -3.716 0.000 -7.245) 8.142 28.109 ( 1.081 0.000 0.195) 1.099 28.134 ( 1.836 0.000 10.315) 10.477 28.518 ( 0.222 0.000 4.417) 4.423 28.684 ( -4.382 0.000 2.910) 5.260 28.943 ( 0.527 0.000 -6.221) 6.243 28.957 ( -7.217 0.000 3.044) 7.833 29.851 ( 11.405 0.000 1.619) 11.519 29.954 ( 4.699 0.000 -6.534) 8.049 30.018 ( 9.864 0.000 -3.179) 10.364 30.098 ( 13.131 0.000 0.547) 13.143 30.737 ( 2.335 0.000 5.148) 5.653 30.893 ( 4.873 0.000 -2.932) 5.687 31.418 ( 11.588 0.000 -5.865) 12.987 31.756 ( -1.539 0.000 1.380) 2.067 31.819 ( 7.368 0.000 1.850) 7.597 32.058 ( -1.870 0.000 8.806) 9.002 32.280 ( -0.173 0.000 -1.117) 1.130 32.316 ( -4.248 0.000 1.485) 4.501 32.694 ( -0.837 0.000 -0.674) 1.074 32.707 ( 4.485 0.000 2.612) 5.190 32.717 ( -7.375 0.000 2.335) 7.736 32.860 ( -3.551 0.000 -2.149) 4.151 99.256 ( 0.346 0.000 1.426) 1.467 99.274 ( 0.801 0.000 -0.564) 0.979 99.363 ( -1.173 0.000 -0.166) 1.184 99.441 ( -2.624 0.000 -0.161) 2.629 102.275 ( -0.212 0.000 0.100) 0.235 102.309 ( -0.536 0.000 2.634) 2.688 102.514 ( -2.079 0.000 0.722) 2.201 102.564 ( -5.298 0.000 -2.791) 5.988 107.342 ( 0.763 0.000 0.301) 0.820 107.375 ( 0.119 0.000 0.813) 0.822 107.398 ( 1.046 0.000 -0.477) 1.150 107.448 ( 0.086 0.000 -0.083) 0.119 109.312 ( 0.390 0.000 0.349) 0.523 109.329 ( 0.376 0.000 -0.197) 0.425 109.359 ( 0.471 0.000 0.763) 0.896 109.406 ( 0.706 0.000 -1.172) 1.368 ======================= Grid point 109 (53/78) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 14.959 0.000 -0.896) 14.985 3.353 ( 17.029 0.000 -5.141) 17.788 3.372 ( 4.033 0.000 5.285) 6.648 3.457 ( 18.581 0.000 -9.996) 21.099 3.508 ( 17.334 0.000 -9.979) 20.002 3.602 ( -1.256 0.000 9.276) 9.360 3.670 ( 6.862 0.000 -2.037) 7.158 3.819 ( 11.524 0.000 3.612) 12.077 3.842 ( -0.166 0.000 0.489) 0.516 4.117 ( -13.099 0.000 -1.830) 13.226 4.155 ( -5.647 0.000 -2.103) 6.025 4.243 ( 12.379 0.000 5.480) 13.537 4.608 ( -2.503 0.000 -0.795) 2.626 4.804 ( -3.396 0.000 -3.887) 5.162 4.815 ( 6.770 0.000 -3.885) 7.805 4.949 ( -3.344 0.000 -0.864) 3.454 5.042 ( 1.395 0.000 -1.360) 1.948 5.157 ( -5.309 0.000 -0.837) 5.374 5.240 ( 5.158 0.000 -1.057) 5.265 5.314 ( -1.650 0.000 -0.553) 1.740 5.553 ( 0.978 0.000 4.788) 4.887 5.662 ( 7.468 0.000 0.298) 7.474 5.733 ( -0.815 0.000 5.176) 5.240 5.805 ( -4.803 0.000 15.062) 15.809 5.899 ( -5.151 0.000 6.093) 7.979 5.995 ( 0.995 0.000 0.826) 1.293 6.021 ( 0.888 0.000 0.566) 1.053 6.097 ( -2.152 0.000 3.499) 4.107 6.183 ( -3.485 0.000 -4.620) 5.787 6.184 ( 11.056 0.000 -3.032) 11.465 6.375 ( 7.875 0.000 -9.465) 12.313 6.550 ( -14.781 0.000 3.333) 15.152 6.582 ( -6.855 0.000 6.005) 9.113 6.640 ( -3.476 0.000 -3.033) 4.613 6.905 ( -2.319 0.000 -0.416) 2.356 6.917 ( 5.445 0.000 -6.101) 8.178 6.948 ( -2.027 0.000 -2.677) 3.358 7.000 ( 1.470 0.000 0.302) 1.501 7.075 ( -5.203 0.000 -9.485) 10.818 7.094 ( 5.489 0.000 -1.165) 5.612 7.345 ( -1.356 0.000 4.019) 4.241 7.375 ( -0.927 0.000 2.228) 2.413 7.566 ( 3.889 0.000 3.684) 5.357 7.579 ( -2.489 0.000 -0.661) 2.575 7.660 ( 2.377 0.000 -8.965) 9.274 7.888 ( -1.170 0.000 -7.294) 7.388 7.890 ( -13.005 0.000 6.357) 14.475 7.960 ( -10.675 0.000 -4.743) 11.682 8.192 ( -3.624 0.000 2.807) 4.584 8.242 ( 6.033 0.000 -5.339) 8.056 8.335 ( 3.364 0.000 5.747) 6.659 8.401 ( -2.020 0.000 -0.999) 2.253 8.574 ( -3.475 0.000 -5.797) 6.758 8.643 ( -5.742 0.000 1.093) 5.845 8.758 ( -4.601 0.000 1.346) 4.794 8.939 ( -3.493 0.000 3.504) 4.948 8.972 ( 5.984 0.000 -0.343) 5.994 9.119 ( -0.033 0.000 -2.002) 2.002 9.197 ( -1.252 0.000 6.205) 6.330 9.214 ( 3.662 0.000 5.385) 6.512 9.370 ( 4.042 0.000 -2.822) 4.930 9.435 ( -2.172 0.000 0.704) 2.284 9.580 ( -1.241 0.000 3.449) 3.665 9.681 ( -7.100 0.000 -2.356) 7.480 9.755 ( 8.108 0.000 1.472) 8.240 9.834 ( -1.235 0.000 5.104) 5.251 9.891 ( -2.056 0.000 0.847) 2.224 9.913 ( -3.071 0.000 1.701) 3.511 10.085 ( 6.394 0.000 -4.279) 7.694 10.096 ( -0.826 0.000 2.366) 2.506 10.223 ( 6.197 0.000 -1.924) 6.489 10.452 ( 6.523 0.000 -1.868) 6.785 10.513 ( -1.236 0.000 7.010) 7.119 10.527 ( 4.913 0.000 -7.727) 9.156 10.653 ( -4.979 0.000 6.384) 8.096 10.743 ( -0.085 0.000 -0.025) 0.089 10.885 ( 2.321 0.000 -1.767) 2.917 11.031 ( 1.643 0.000 -4.890) 5.159 11.115 ( 0.848 0.000 1.373) 1.614 11.159 ( -0.771 0.000 -1.889) 2.040 11.406 ( -8.614 0.000 1.466) 8.738 11.540 ( 1.976 0.000 1.079) 2.252 11.568 ( -6.220 0.000 -7.179) 9.499 11.593 ( 0.959 0.000 -0.666) 1.168 11.905 ( -0.019 0.000 5.799) 5.799 11.961 ( 4.272 0.000 1.752) 4.617 11.976 ( 1.940 0.000 -1.680) 2.566 12.050 ( -6.513 0.000 3.867) 7.574 12.301 ( -6.233 0.000 -1.588) 6.432 12.351 ( -3.268 0.000 -4.500) 5.561 12.476 ( -3.156 0.000 2.337) 3.927 12.640 ( -1.407 0.000 -8.430) 8.547 12.681 ( -3.284 0.000 -6.355) 7.154 12.733 ( 6.087 0.000 -1.975) 6.399 12.844 ( -1.307 0.000 -3.160) 3.420 12.861 ( 3.290 0.000 3.240) 4.617 12.987 ( -1.036 0.000 -3.734) 3.875 13.074 ( -1.448 0.000 -0.012) 1.448 13.208 ( 6.231 0.000 7.501) 9.751 13.350 ( -1.208 0.000 6.418) 6.531 13.624 ( 4.866 0.000 5.041) 7.007 13.660 ( 2.487 0.000 -1.126) 2.730 13.693 ( 1.745 0.000 1.354) 2.209 13.859 ( -4.988 0.000 -2.975) 5.808 14.034 ( -0.536 0.000 -5.439) 5.465 14.112 ( -1.681 0.000 -6.192) 6.416 14.329 ( 4.063 0.000 3.245) 5.200 14.456 ( 3.109 0.000 3.616) 4.769 14.766 ( 3.314 0.000 2.174) 3.964 14.836 ( -3.639 0.000 10.191) 10.821 15.008 ( 2.233 0.000 -1.557) 2.722 15.012 ( -2.148 0.000 -2.621) 3.389 15.318 ( -1.594 0.000 3.582) 3.920 15.389 ( 6.082 0.000 -0.848) 6.141 15.494 ( -2.584 0.000 2.144) 3.358 15.496 ( 2.762 0.000 2.023) 3.424 15.628 ( -3.260 0.000 2.466) 4.087 15.637 ( 3.290 0.000 -10.016) 10.543 16.012 ( -1.209 0.000 -0.403) 1.274 16.061 ( -2.927 0.000 -2.352) 3.755 16.292 ( 9.687 0.000 -7.370) 12.172 16.315 ( -2.813 0.000 2.485) 3.753 16.370 ( -4.944 0.000 6.551) 8.207 16.435 ( 4.146 0.000 -7.531) 8.597 16.520 ( 8.665 0.000 1.457) 8.786 16.734 ( 1.872 0.000 1.866) 2.643 16.787 ( -1.640 0.000 -0.316) 1.670 16.879 ( -2.512 0.000 2.318) 3.418 16.981 ( -5.171 0.000 3.483) 6.235 16.998 ( 2.147 0.000 0.561) 2.219 17.208 ( -2.222 0.000 1.278) 2.563 17.428 ( -3.451 0.000 -5.309) 6.332 17.682 ( -3.345 0.000 6.269) 7.105 17.761 ( 1.891 0.000 -3.736) 4.187 19.344 ( -2.864 0.000 1.416) 3.195 19.465 ( -2.753 0.000 -3.147) 4.181 19.810 ( 3.666 0.000 0.520) 3.703 19.993 ( -1.995 0.000 3.303) 3.859 21.248 ( 1.121 0.000 2.123) 2.401 21.360 ( 0.458 0.000 -1.892) 1.946 21.401 ( 0.751 0.000 3.398) 3.480 21.540 ( -1.060 0.000 -2.188) 2.431 21.840 ( -0.568 0.000 2.765) 2.823 22.101 ( -3.748 0.000 -2.758) 4.653 22.756 ( -0.177 0.000 -0.511) 0.541 22.780 ( -3.614 0.000 2.291) 4.279 24.635 ( 1.656 0.000 1.927) 2.541 24.669 ( 2.351 0.000 0.410) 2.387 24.673 ( 1.413 0.000 1.373) 1.970 24.756 ( 3.998 0.000 -4.943) 6.357 25.113 ( 0.178 0.000 2.724) 2.730 25.311 ( -0.757 0.000 -4.706) 4.766 25.405 ( -3.378 0.000 2.961) 4.492 25.582 ( -6.437 0.000 -0.843) 6.492 26.643 ( -2.411 0.000 -4.157) 4.805 26.693 ( -1.971 0.000 -5.013) 5.387 27.075 ( -1.056 0.000 1.783) 2.072 27.122 ( -2.874 0.000 0.946) 3.026 27.784 ( -3.325 0.000 -0.826) 3.426 27.831 ( -1.842 0.000 -5.146) 5.466 28.157 ( 3.040 0.000 1.614) 3.442 28.223 ( -0.943 0.000 7.416) 7.476 28.569 ( 1.155 0.000 4.240) 4.395 28.643 ( -2.453 0.000 4.331) 4.978 28.842 ( -6.594 0.000 1.828) 6.843 28.905 ( 1.311 0.000 -6.793) 6.919 29.989 ( 4.176 0.000 -2.357) 4.796 30.074 ( 7.631 0.000 3.597) 8.436 30.123 ( 4.487 0.000 -4.812) 6.579 30.272 ( 4.923 0.000 -0.720) 4.975 30.823 ( 1.968 0.000 3.770) 4.253 30.940 ( 3.656 0.000 -4.840) 6.066 31.545 ( 6.293 0.000 -2.935) 6.943 31.703 ( -4.413 0.000 0.625) 4.457 31.995 ( 8.687 0.000 0.252) 8.690 32.078 ( -2.148 0.000 5.201) 5.627 32.262 ( -2.352 0.000 2.205) 3.224 32.281 ( 0.577 0.000 0.449) 0.731 32.571 ( -5.859 0.000 1.385) 6.021 32.724 ( 0.837 0.000 1.499) 1.717 32.765 ( -2.830 0.000 -3.247) 4.307 32.785 ( 0.932 0.000 -0.146) 0.944 99.275 ( 0.261 0.000 1.552) 1.574 99.286 ( 0.856 0.000 -0.278) 0.900 99.343 ( -0.622 0.000 -0.392) 0.735 99.391 ( -1.993 0.000 -0.924) 2.196 102.279 ( 0.372 0.000 0.584) 0.692 102.318 ( -0.979 0.000 2.349) 2.544 102.465 ( -2.054 0.000 -2.993) 3.630 102.478 ( -1.857 0.000 -0.320) 1.884 107.361 ( 0.702 0.000 0.756) 1.032 107.386 ( 0.125 0.000 1.252) 1.259 107.408 ( 0.557 0.000 -0.903) 1.061 107.442 ( -0.283 0.000 -0.737) 0.789 109.322 ( 0.252 0.000 0.391) 0.465 109.333 ( 0.246 0.000 -0.220) 0.330 109.373 ( 0.134 0.000 1.024) 1.033 109.408 ( 0.527 0.000 -1.164) 1.278 ======================= Grid point 110 (54/78) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 11.947 0.000 3.963) 12.587 3.254 ( -11.227 0.000 -4.435) 12.071 3.425 ( -26.384 0.000 12.765) 29.310 3.509 ( 4.719 0.000 1.645) 4.998 3.583 ( -2.618 0.000 -4.329) 5.059 3.694 ( -16.099 0.000 6.078) 17.208 3.793 ( 27.060 0.000 -16.886) 31.896 3.931 ( 16.429 0.000 -11.590) 20.105 3.954 ( -2.074 0.000 3.422) 4.002 4.090 ( 1.827 0.000 -7.618) 7.834 4.224 ( 17.778 0.000 8.541) 19.723 4.294 ( -7.838 0.000 1.616) 8.003 4.665 ( -10.720 0.000 -2.608) 11.033 4.710 ( 3.441 0.000 -5.745) 6.697 4.760 ( 10.508 0.000 4.634) 11.485 4.835 ( -16.138 0.000 -2.750) 16.371 4.985 ( -5.420 0.000 4.176) 6.842 5.060 ( 0.354 0.000 -2.670) 2.693 5.287 ( -0.141 0.000 -0.891) 0.902 5.315 ( 3.818 0.000 -3.136) 4.941 5.622 ( -1.345 0.000 6.133) 6.279 5.697 ( -4.814 0.000 3.214) 5.788 5.754 ( -2.392 0.000 3.397) 4.154 5.770 ( 0.876 0.000 2.408) 2.562 5.875 ( -1.508 0.000 5.844) 6.036 5.994 ( 3.447 0.000 -2.676) 4.364 6.107 ( 2.187 0.000 5.746) 6.148 6.207 ( 6.459 0.000 5.476) 8.468 6.214 ( -2.133 0.000 -4.427) 4.914 6.230 ( 3.607 0.000 8.210) 8.967 6.286 ( -8.638 0.000 -1.300) 8.735 6.503 ( -2.141 0.000 3.816) 4.375 6.537 ( 5.496 0.000 -14.443) 15.454 6.627 ( 5.042 0.000 -8.146) 9.580 6.773 ( -0.844 0.000 1.637) 1.842 6.856 ( -0.670 0.000 -2.155) 2.257 6.958 ( -4.332 0.000 1.300) 4.523 7.032 ( 5.884 0.000 -5.286) 7.909 7.177 ( 3.143 0.000 5.463) 6.303 7.238 ( -10.919 0.000 -1.024) 10.967 7.346 ( 4.435 0.000 -0.273) 4.443 7.376 ( 8.668 0.000 -4.398) 9.720 7.423 ( -1.688 0.000 1.151) 2.042 7.509 ( -7.361 0.000 -7.025) 10.175 7.654 ( 2.087 0.000 5.244) 5.644 7.707 ( -4.669 0.000 3.276) 5.704 7.841 ( -3.835 0.000 -0.911) 3.942 7.892 ( 6.470 0.000 -4.903) 8.118 8.191 ( -0.666 0.000 -0.499) 0.832 8.244 ( 1.767 0.000 -8.453) 8.636 8.425 ( 1.113 0.000 3.486) 3.660 8.433 ( -0.014 0.000 2.321) 2.321 8.474 ( -2.773 0.000 -1.492) 3.149 8.491 ( 0.475 0.000 -3.483) 3.516 8.788 ( 0.484 0.000 8.163) 8.177 8.898 ( -1.672 0.000 -0.796) 1.852 9.055 ( 3.586 0.000 -1.509) 3.891 9.092 ( -0.253 0.000 -3.485) 3.494 9.209 ( -4.026 0.000 8.177) 9.114 9.296 ( 0.299 0.000 1.130) 1.169 9.447 ( 0.830 0.000 2.463) 2.599 9.450 ( 3.163 0.000 5.090) 5.993 9.520 ( -4.844 0.000 -3.009) 5.702 9.578 ( -0.038 0.000 -2.453) 2.453 9.814 ( -3.579 0.000 2.709) 4.489 9.824 ( -1.259 0.000 0.173) 1.271 9.859 ( -1.344 0.000 3.082) 3.363 9.899 ( 0.472 0.000 1.151) 1.244 10.089 ( -3.742 0.000 4.334) 5.726 10.221 ( 7.404 0.000 -3.348) 8.126 10.371 ( 6.202 0.000 1.625) 6.412 10.477 ( -5.889 0.000 4.366) 7.332 10.499 ( 2.761 0.000 -12.285) 12.592 10.559 ( 5.574 0.000 -3.374) 6.516 10.664 ( 0.110 0.000 6.524) 6.525 10.727 ( -1.220 0.000 0.250) 1.245 10.929 ( 3.353 0.000 -1.281) 3.589 10.970 ( -3.073 0.000 -5.028) 5.893 11.098 ( -3.510 0.000 1.656) 3.881 11.153 ( 1.525 0.000 -2.967) 3.336 11.348 ( 1.063 0.000 3.199) 3.371 11.427 ( -0.110 0.000 -4.649) 4.650 11.563 ( -1.368 0.000 1.692) 2.176 11.575 ( -2.566 0.000 0.513) 2.617 11.945 ( -6.063 0.000 5.459) 8.158 12.006 ( 1.060 0.000 2.151) 2.398 12.052 ( 6.327 0.000 5.889) 8.644 12.065 ( 3.018 0.000 1.010) 3.183 12.192 ( -0.305 0.000 -4.604) 4.614 12.215 ( -3.994 0.000 -7.000) 8.059 12.494 ( 0.317 0.000 4.354) 4.366 12.582 ( -0.807 0.000 -5.482) 5.542 12.628 ( 5.574 0.000 -2.460) 6.093 12.735 ( -3.528 0.000 -9.436) 10.074 12.839 ( 5.788 0.000 -0.716) 5.832 12.867 ( -5.532 0.000 -3.439) 6.514 12.968 ( 4.350 0.000 2.762) 5.153 13.045 ( -1.789 0.000 -3.483) 3.916 13.404 ( 4.907 0.000 9.302) 10.517 13.426 ( 1.657 0.000 10.351) 10.483 13.565 ( -6.498 0.000 -3.412) 7.339 13.643 ( -3.565 0.000 -7.744) 8.525 13.795 ( -2.952 0.000 4.056) 5.017 13.808 ( 5.888 0.000 3.826) 7.022 13.987 ( 0.175 0.000 -2.716) 2.722 14.016 ( -2.747 0.000 -5.764) 6.385 14.430 ( 4.055 0.000 1.911) 4.483 14.444 ( -4.352 0.000 0.285) 4.361 14.806 ( -6.676 0.000 8.151) 10.536 14.889 ( 6.028 0.000 -0.337) 6.038 14.982 ( 0.481 0.000 1.570) 1.642 15.026 ( 1.599 0.000 -2.931) 3.339 15.360 ( -0.552 0.000 8.656) 8.674 15.428 ( 0.357 0.000 -0.920) 0.987 15.436 ( -3.733 0.000 -0.151) 3.736 15.536 ( 0.693 0.000 -3.603) 3.669 15.598 ( -3.143 0.000 2.649) 4.110 15.675 ( 6.107 0.000 -6.071) 8.611 15.995 ( 0.021 0.000 -0.186) 0.187 16.002 ( -1.078 0.000 -1.097) 1.538 16.264 ( -6.084 0.000 4.704) 7.690 16.323 ( -4.676 0.000 5.622) 7.313 16.362 ( 2.871 0.000 -4.728) 5.532 16.471 ( 5.927 0.000 -7.486) 9.548 16.701 ( 7.422 0.000 2.131) 7.722 16.724 ( -4.883 0.000 -0.217) 4.888 16.775 ( 1.057 0.000 0.778) 1.312 16.818 ( -1.065 0.000 -2.979) 3.163 16.980 ( 0.044 0.000 4.988) 4.988 17.052 ( 3.166 0.000 -1.515) 3.509 17.209 ( 0.851 0.000 3.314) 3.422 17.314 ( -2.391 0.000 -6.704) 7.118 17.665 ( -3.683 0.000 6.191) 7.204 17.772 ( 2.697 0.000 -4.031) 4.850 19.329 ( -0.175 0.000 2.462) 2.468 19.395 ( -0.950 0.000 -3.510) 3.637 19.918 ( 5.395 0.000 2.254) 5.847 19.944 ( -4.356 0.000 -0.013) 4.356 21.290 ( 1.050 0.000 2.482) 2.695 21.348 ( 0.223 0.000 -2.812) 2.821 21.436 ( 0.327 0.000 3.177) 3.194 21.496 ( -1.205 0.000 -2.520) 2.793 21.898 ( 3.068 0.000 4.843) 5.733 22.001 ( -3.042 0.000 -4.686) 5.587 22.744 ( -1.823 0.000 1.625) 2.442 22.767 ( 1.705 0.000 -0.394) 1.750 24.668 ( -0.373 0.000 2.992) 3.015 24.687 ( -0.636 0.000 0.057) 0.638 24.697 ( 0.025 0.000 0.530) 0.531 24.768 ( 1.747 0.000 -5.060) 5.353 25.153 ( 1.158 0.000 3.606) 3.788 25.223 ( -2.832 0.000 -2.734) 3.937 25.448 ( 3.496 0.000 1.453) 3.786 25.481 ( -2.881 0.000 -1.495) 3.245 26.597 ( -0.066 0.000 -1.213) 1.214 26.627 ( -0.843 0.000 -3.830) 3.921 27.083 ( 0.510 0.000 1.371) 1.463 27.089 ( -1.220 0.000 0.741) 1.427 27.742 ( -1.055 0.000 0.711) 1.272 27.783 ( 0.415 0.000 -3.166) 3.194 28.216 ( -4.102 0.000 3.497) 5.391 28.245 ( 4.664 0.000 1.018) 4.774 28.625 ( 0.729 0.000 3.971) 4.037 28.668 ( 0.711 0.000 4.016) 4.079 28.748 ( -4.364 0.000 1.694) 4.681 28.888 ( 3.619 0.000 -7.489) 8.318 30.036 ( 0.618 0.000 1.794) 1.897 30.104 ( -2.241 0.000 -4.445) 4.978 30.215 ( 3.685 0.000 3.260) 4.920 30.282 ( -1.914 0.000 -3.048) 3.599 30.860 ( -1.223 0.000 3.432) 3.643 30.953 ( 2.021 0.000 -5.385) 5.751 31.610 ( -5.958 0.000 1.182) 6.074 31.628 ( 4.243 0.000 -0.783) 4.314 32.056 ( -3.937 0.000 3.398) 5.201 32.116 ( 4.545 0.000 -1.845) 4.905 32.272 ( 1.112 0.000 1.896) 2.198 32.294 ( 0.180 0.000 -0.232) 0.294 32.551 ( 1.561 0.000 4.588) 4.846 32.663 ( -2.650 0.000 -5.622) 6.215 32.758 ( 1.171 0.000 1.722) 2.082 32.786 ( -0.694 0.000 -0.996) 1.214 99.286 ( -0.480 0.000 1.210) 1.302 99.302 ( 0.963 0.000 -0.200) 0.984 99.339 ( 0.495 0.000 0.136) 0.513 99.351 ( -1.272 0.000 -1.037) 1.642 102.302 ( 1.313 0.000 1.192) 1.774 102.303 ( -1.856 0.000 1.066) 2.141 102.439 ( -1.566 0.000 -0.861) 1.787 102.445 ( 1.534 0.000 -1.343) 2.039 107.378 ( 0.191 0.000 1.094) 1.111 107.402 ( 0.361 0.000 1.343) 1.391 107.402 ( -0.230 0.000 -1.143) 1.166 107.428 ( -0.250 0.000 -1.144) 1.171 109.328 ( 0.024 0.000 0.314) 0.315 109.334 ( 0.065 0.000 -0.276) 0.284 109.381 ( -0.254 0.000 1.147) 1.175 109.406 ( 0.285 0.000 -1.213) 1.246 ======================= Grid point 111 (55/78) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -30.869 0.000 4.618) 31.212 3.094 ( -12.076 0.000 4.964) 13.057 3.208 ( -24.226 0.000 11.041) 26.624 3.443 ( 0.675 0.000 4.959) 5.005 3.473 ( -5.901 0.000 -3.084) 6.659 3.596 ( -5.202 0.000 -0.163) 5.205 3.806 ( -8.381 0.000 -0.728) 8.413 3.898 ( -3.105 0.000 -13.504) 13.856 4.028 ( -12.384 0.000 -9.193) 15.423 4.188 ( 11.944 0.000 -4.612) 12.803 4.203 ( 20.058 0.000 -9.892) 22.365 4.459 ( -4.281 0.000 -13.470) 14.134 4.543 ( -1.359 0.000 4.656) 4.851 4.656 ( 6.790 0.000 9.704) 11.844 4.727 ( -18.068 0.000 2.488) 18.239 4.868 ( 2.174 0.000 5.856) 6.247 4.954 ( -1.957 0.000 6.197) 6.499 5.086 ( 3.909 0.000 6.741) 7.792 5.219 ( -4.898 0.000 -0.089) 4.898 5.370 ( 5.722 0.000 -6.386) 8.574 5.615 ( -4.306 0.000 2.917) 5.202 5.615 ( -4.390 0.000 1.154) 4.540 5.765 ( 0.399 0.000 2.096) 2.134 5.782 ( -3.617 0.000 7.204) 8.061 5.959 ( 2.720 0.000 7.589) 8.061 6.025 ( 1.489 0.000 -0.169) 1.498 6.115 ( -6.759 0.000 0.245) 6.763 6.183 ( 0.640 0.000 -8.759) 8.783 6.217 ( 0.525 0.000 6.187) 6.209 6.235 ( 9.954 0.000 -9.355) 13.660 6.348 ( -3.134 0.000 -14.607) 14.940 6.514 ( 13.688 0.000 5.474) 14.742 6.628 ( 6.856 0.000 -0.917) 6.917 6.714 ( 6.526 0.000 -5.097) 8.281 6.851 ( -4.590 0.000 3.080) 5.527 6.875 ( 6.763 0.000 -0.983) 6.834 6.882 ( -0.385 0.000 -1.711) 1.754 6.936 ( -2.264 0.000 3.019) 3.773 7.000 ( -8.939 0.000 -0.279) 8.943 7.126 ( 0.095 0.000 -4.005) 4.006 7.413 ( 1.986 0.000 -1.626) 2.567 7.427 ( -0.521 0.000 0.544) 0.753 7.495 ( -0.524 0.000 3.765) 3.802 7.537 ( 1.368 0.000 1.978) 2.405 7.667 ( 0.058 0.000 -3.686) 3.686 7.807 ( 2.244 0.000 -0.053) 2.244 7.824 ( 8.166 0.000 8.644) 11.891 7.989 ( 5.984 0.000 -2.853) 6.629 8.113 ( -3.614 0.000 0.413) 3.637 8.237 ( 3.158 0.000 -2.657) 4.127 8.402 ( -0.632 0.000 1.632) 1.750 8.415 ( -1.598 0.000 -1.517) 2.203 8.561 ( 6.660 0.000 -2.024) 6.960 8.573 ( 5.565 0.000 3.840) 6.761 8.862 ( 0.612 0.000 -4.773) 4.812 8.889 ( 3.184 0.000 6.415) 7.161 9.050 ( 0.115 0.000 -4.750) 4.751 9.083 ( 0.036 0.000 -0.292) 0.294 9.179 ( -6.300 0.000 8.421) 10.517 9.269 ( -1.425 0.000 -1.039) 1.764 9.370 ( -8.223 0.000 -1.503) 8.359 9.475 ( 1.703 0.000 -1.845) 2.511 9.538 ( 0.167 0.000 6.054) 6.056 9.647 ( 6.401 0.000 0.392) 6.413 9.717 ( -8.007 0.000 2.830) 8.493 9.823 ( 1.363 0.000 2.974) 3.271 9.900 ( -1.376 0.000 0.371) 1.425 9.914 ( 2.672 0.000 2.415) 3.602 10.018 ( -4.475 0.000 1.306) 4.661 10.221 ( -1.904 0.000 -5.699) 6.008 10.378 ( -4.324 0.000 4.811) 6.469 10.402 ( 1.694 0.000 -16.735) 16.820 10.487 ( 2.143 0.000 -3.099) 3.768 10.597 ( -3.427 0.000 0.668) 3.491 10.710 ( -0.468 0.000 4.397) 4.422 10.771 ( 7.021 0.000 -4.471) 8.324 10.876 ( -1.422 0.000 -2.957) 3.281 10.948 ( -2.001 0.000 1.208) 2.338 11.105 ( 3.012 0.000 2.880) 4.168 11.149 ( -0.248 0.000 -1.557) 1.577 11.443 ( 3.920 0.000 4.729) 6.143 11.465 ( 6.743 0.000 -3.979) 7.830 11.542 ( -0.143 0.000 0.676) 0.691 11.546 ( -2.705 0.000 3.256) 4.233 11.865 ( -5.937 0.000 5.110) 7.833 11.982 ( -3.733 0.000 -0.484) 3.764 12.094 ( -0.882 0.000 -7.536) 7.587 12.098 ( 2.302 0.000 -0.746) 2.420 12.255 ( 4.409 0.000 2.663) 5.151 12.263 ( 8.791 0.000 3.438) 9.439 12.562 ( 2.959 0.000 5.329) 6.096 12.574 ( 3.699 0.000 -5.238) 6.413 12.612 ( -0.217 0.000 -6.323) 6.326 12.727 ( -6.729 0.000 -1.810) 6.968 12.775 ( 9.150 0.000 0.599) 9.169 12.934 ( 3.623 0.000 0.662) 3.682 12.970 ( -0.462 0.000 -5.778) 5.796 13.048 ( 2.406 0.000 1.533) 2.852 13.365 ( -9.538 0.000 -5.790) 11.157 13.460 ( -2.390 0.000 -2.300) 3.317 13.572 ( 2.689 0.000 12.407) 12.695 13.581 ( -0.879 0.000 3.991) 4.087 13.706 ( -6.972 0.000 -1.503) 7.132 13.879 ( -0.040 0.000 -4.432) 4.432 13.947 ( -0.734 0.000 2.363) 2.474 14.017 ( 2.506 0.000 1.973) 3.189 14.351 ( -4.775 0.000 0.394) 4.791 14.496 ( 0.583 0.000 0.659) 0.880 14.743 ( -5.192 0.000 4.791) 7.065 14.943 ( 0.629 0.000 1.352) 1.491 15.025 ( 1.119 0.000 -3.011) 3.213 15.030 ( 2.282 0.000 -4.449) 5.000 15.330 ( -7.051 0.000 5.196) 8.759 15.393 ( -1.968 0.000 -1.845) 2.697 15.444 ( -0.848 0.000 5.656) 5.719 15.527 ( -3.954 0.000 -0.141) 3.957 15.546 ( 3.994 0.000 -2.946) 4.963 15.690 ( 1.229 0.000 -4.578) 4.740 16.000 ( -0.342 0.000 0.840) 0.907 16.019 ( 1.908 0.000 1.249) 2.280 16.153 ( -8.526 0.000 5.105) 9.938 16.311 ( -1.621 0.000 4.264) 4.562 16.367 ( 1.538 0.000 -2.942) 3.320 16.481 ( -0.789 0.000 -3.828) 3.909 16.571 ( -7.172 0.000 -2.159) 7.490 16.784 ( 1.520 0.000 -2.391) 2.833 16.838 ( 5.356 0.000 -5.261) 7.508 16.859 ( 5.248 0.000 2.923) 6.007 17.007 ( 0.482 0.000 0.068) 0.487 17.078 ( 1.296 0.000 -3.258) 3.506 17.251 ( 0.746 0.000 -3.900) 3.971 17.300 ( 3.674 0.000 6.299) 7.292 17.662 ( -1.151 0.000 5.522) 5.640 17.792 ( 2.774 0.000 -3.878) 4.767 19.381 ( 2.639 0.000 4.023) 4.811 19.382 ( 2.035 0.000 -2.138) 2.952 19.841 ( -5.155 0.000 -1.614) 5.402 20.029 ( 4.752 0.000 0.145) 4.755 21.318 ( -0.313 0.000 -4.175) 4.186 21.321 ( 0.310 0.000 1.802) 1.829 21.459 ( -0.664 0.000 -2.050) 2.155 21.477 ( 0.932 0.000 3.684) 3.800 21.919 ( -1.162 0.000 -4.567) 4.712 22.022 ( 5.193 0.000 4.570) 6.917 22.738 ( -0.082 0.000 1.159) 1.162 22.814 ( 3.677 0.000 -0.690) 3.741 24.654 ( -2.513 0.000 -0.255) 2.526 24.661 ( -3.755 0.000 3.251) 4.967 24.682 ( -1.279 0.000 -0.081) 1.282 24.742 ( -0.075 0.000 -4.699) 4.700 25.172 ( -0.344 0.000 -2.654) 2.676 25.204 ( -0.414 0.000 5.258) 5.275 25.464 ( 3.657 0.000 -2.643) 4.512 25.545 ( 5.077 0.000 2.400) 5.616 26.604 ( 0.758 0.000 -1.007) 1.260 26.615 ( 1.481 0.000 1.768) 2.307 27.087 ( 0.358 0.000 0.630) 0.725 27.119 ( 2.195 0.000 1.112) 2.461 27.753 ( 0.781 0.000 2.270) 2.400 27.792 ( 2.574 0.000 -1.560) 3.009 28.154 ( -4.021 0.000 1.673) 4.355 28.330 ( 3.843 0.000 -2.284) 4.471 28.657 ( 0.034 0.000 2.779) 2.780 28.669 ( -0.006 0.000 -4.610) 4.610 28.751 ( -0.197 0.000 7.585) 7.587 28.934 ( 7.190 0.000 -6.201) 9.495 29.982 ( -7.085 0.000 -1.843) 7.321 30.025 ( -4.776 0.000 4.143) 6.323 30.158 ( -7.517 0.000 -4.430) 8.725 30.252 ( -2.330 0.000 1.214) 2.628 30.847 ( -2.769 0.000 3.907) 4.789 30.921 ( -0.377 0.000 -5.620) 5.633 31.492 ( -8.090 0.000 2.205) 8.385 31.695 ( 2.782 0.000 0.675) 2.862 31.982 ( -6.029 0.000 1.354) 6.179 32.159 ( 2.384 0.000 -1.852) 3.019 32.300 ( 0.444 0.000 -0.671) 0.804 32.304 ( 2.332 0.000 -1.557) 2.804 32.613 ( 2.297 0.000 -2.904) 3.703 32.665 ( 4.857 0.000 5.045) 7.003 32.758 ( -0.563 0.000 -1.685) 1.777 32.787 ( 0.488 0.000 0.775) 0.916 99.278 ( -1.009 0.000 0.584) 1.166 99.311 ( 0.272 0.000 -1.764) 1.785 99.332 ( 0.083 0.000 0.544) 0.550 99.366 ( 1.564 0.000 1.296) 2.031 102.279 ( -1.245 0.000 0.640) 1.400 102.350 ( 2.428 0.000 0.789) 2.553 102.411 ( -0.712 0.000 0.556) 0.903 102.481 ( 2.751 0.000 -0.709) 2.841 107.381 ( -0.932 0.000 -1.083) 1.429 107.386 ( -0.389 0.000 1.131) 1.196 107.415 ( -0.089 0.000 -1.360) 1.363 107.422 ( 0.569 0.000 1.196) 1.324 109.328 ( -0.176 0.000 0.219) 0.281 109.330 ( -0.147 0.000 -0.378) 0.406 109.382 ( -0.565 0.000 1.218) 1.343 109.398 ( -0.039 0.000 -1.326) 1.326 ======================= Grid point 112 (56/78) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -33.196 0.000 17.087) 37.336 2.722 ( -35.537 0.000 18.103) 39.882 3.035 ( 3.716 0.000 -0.240) 3.723 3.207 ( -19.600 0.000 -4.518) 20.114 3.250 ( -12.929 0.000 -7.267) 14.831 3.598 ( -0.235 0.000 2.214) 2.227 3.620 ( -10.010 0.000 -1.114) 10.072 3.833 ( -4.594 0.000 3.425) 5.731 3.858 ( 6.010 0.000 -9.123) 10.924 4.118 ( -8.183 0.000 -20.750) 22.306 4.160 ( -39.509 0.000 11.845) 41.246 4.351 ( 8.637 0.000 -3.592) 9.354 4.442 ( 12.000 0.000 -7.159) 13.974 4.583 ( -4.877 0.000 9.387) 10.578 4.856 ( 4.469 0.000 0.364) 4.484 4.941 ( -3.500 0.000 6.780) 7.630 5.049 ( 7.737 0.000 3.196) 8.371 5.058 ( -9.752 0.000 -1.645) 9.889 5.189 ( 2.823 0.000 1.316) 3.115 5.390 ( 2.737 0.000 -5.538) 6.178 5.488 ( -8.714 0.000 -1.383) 8.823 5.628 ( 6.006 0.000 -1.393) 6.166 5.776 ( -5.011 0.000 10.530) 11.662 5.801 ( 2.317 0.000 -5.190) 5.684 5.917 ( -5.479 0.000 2.010) 5.836 6.072 ( -3.959 0.000 -2.181) 4.520 6.105 ( 0.080 0.000 -5.204) 5.204 6.159 ( 6.037 0.000 -16.751) 17.806 6.185 ( -1.546 0.000 1.622) 2.241 6.215 ( 8.487 0.000 -1.884) 8.694 6.458 ( 14.210 0.000 -6.118) 15.471 6.595 ( -7.921 0.000 5.995) 9.934 6.743 ( -2.285 0.000 -1.296) 2.627 6.806 ( 7.457 0.000 2.678) 7.923 6.830 ( -2.031 0.000 -4.996) 5.393 6.833 ( 4.036 0.000 4.184) 5.813 6.974 ( 2.373 0.000 5.967) 6.422 7.024 ( 4.725 0.000 1.110) 4.854 7.127 ( 5.872 0.000 -1.459) 6.050 7.160 ( 15.754 0.000 6.819) 17.166 7.389 ( -1.905 0.000 0.878) 2.097 7.459 ( 1.708 0.000 -2.442) 2.980 7.472 ( 0.947 0.000 -1.247) 1.566 7.510 ( -3.299 0.000 1.336) 3.559 7.652 ( 2.686 0.000 -6.426) 6.965 7.881 ( 2.635 0.000 4.380) 5.111 8.010 ( -0.415 0.000 13.876) 13.882 8.062 ( 6.883 0.000 -0.879) 6.939 8.128 ( 0.930 0.000 4.192) 4.294 8.250 ( -3.020 0.000 -0.980) 3.175 8.399 ( 4.559 0.000 -6.742) 8.138 8.433 ( 2.368 0.000 2.948) 3.781 8.631 ( 0.594 0.000 0.448) 0.744 8.711 ( 1.517 0.000 10.806) 10.912 8.856 ( 4.044 0.000 -8.398) 9.321 8.910 ( -1.564 0.000 -4.978) 5.218 9.057 ( 0.258 0.000 -7.107) 7.112 9.072 ( -1.503 0.000 4.795) 5.025 9.145 ( -2.985 0.000 7.133) 7.733 9.225 ( -3.522 0.000 4.985) 6.103 9.252 ( 1.034 0.000 -3.346) 3.502 9.460 ( -3.653 0.000 0.449) 3.680 9.508 ( -11.393 0.000 2.421) 11.648 9.634 ( 7.032 0.000 3.362) 7.794 9.822 ( 7.975 0.000 -2.072) 8.240 9.853 ( -3.070 0.000 -0.092) 3.072 9.906 ( 3.656 0.000 0.670) 3.717 9.912 ( -2.732 0.000 -0.614) 2.800 10.030 ( 2.230 0.000 4.009) 4.588 10.170 ( 1.877 0.000 -1.812) 2.609 10.301 ( 2.565 0.000 -16.559) 16.756 10.327 ( -3.384 0.000 0.094) 3.385 10.456 ( -1.681 0.000 -2.899) 3.351 10.500 ( -5.383 0.000 0.763) 5.437 10.733 ( 1.039 0.000 0.628) 1.214 10.793 ( -0.953 0.000 0.307) 1.001 10.894 ( 4.383 0.000 -7.490) 8.678 10.912 ( -3.197 0.000 4.171) 5.255 11.106 ( -2.665 0.000 -1.962) 3.309 11.200 ( 3.224 0.000 1.599) 3.599 11.457 ( -3.409 0.000 -0.300) 3.423 11.486 ( -4.788 0.000 2.510) 5.406 11.591 ( 5.629 0.000 -1.132) 5.742 11.647 ( 6.470 0.000 3.174) 7.207 11.833 ( -0.213 0.000 3.180) 3.187 11.926 ( -2.295 0.000 1.881) 2.967 12.053 ( 2.767 0.000 -5.403) 6.071 12.143 ( 3.438 0.000 0.125) 3.441 12.328 ( 0.437 0.000 4.310) 4.332 12.415 ( 3.781 0.000 2.166) 4.358 12.528 ( -5.932 0.000 -3.393) 6.834 12.643 ( 4.587 0.000 1.332) 4.776 12.670 ( 2.429 0.000 2.427) 3.433 12.691 ( 5.615 0.000 -0.696) 5.658 12.893 ( 0.092 0.000 -3.679) 3.680 12.980 ( 6.775 0.000 -6.615) 9.469 12.988 ( 6.650 0.000 0.843) 6.704 13.105 ( -4.917 0.000 -3.625) 6.109 13.176 ( 2.438 0.000 0.280) 2.454 13.394 ( -2.305 0.000 -1.787) 2.917 13.512 ( -8.336 0.000 1.309) 8.438 13.583 ( -4.280 0.000 0.001) 4.280 13.674 ( -0.474 0.000 1.826) 1.887 13.857 ( 0.945 0.000 5.485) 5.566 13.965 ( -1.172 0.000 3.690) 3.872 14.089 ( 2.350 0.000 3.228) 3.993 14.279 ( -2.986 0.000 -0.138) 2.989 14.430 ( -5.557 0.000 -4.331) 7.046 14.678 ( -6.436 0.000 3.285) 7.226 14.916 ( -5.907 0.000 -6.012) 8.429 14.971 ( -0.910 0.000 -0.763) 1.188 15.030 ( 1.194 0.000 -0.454) 1.277 15.244 ( -5.305 0.000 2.824) 6.010 15.364 ( -6.750 0.000 3.525) 7.615 15.374 ( 0.896 0.000 0.072) 0.899 15.557 ( 2.258 0.000 3.911) 4.516 15.596 ( 3.158 0.000 -4.666) 5.634 15.726 ( 5.696 0.000 0.716) 5.741 15.936 ( -7.743 0.000 3.237) 8.392 16.077 ( 1.921 0.000 2.869) 3.453 16.090 ( -1.347 0.000 1.685) 2.157 16.301 ( -2.752 0.000 1.942) 3.368 16.318 ( -8.179 0.000 -0.493) 8.194 16.387 ( -0.730 0.000 -1.916) 2.050 16.528 ( 2.796 0.000 -2.297) 3.619 16.772 ( 1.244 0.000 -4.340) 4.514 16.877 ( 3.280 0.000 -7.194) 7.906 16.971 ( 3.459 0.000 -0.569) 3.506 17.031 ( 3.446 0.000 -1.550) 3.779 17.051 ( -0.870 0.000 0.160) 0.885 17.266 ( 2.091 0.000 -0.186) 2.100 17.413 ( 1.810 0.000 5.857) 6.130 17.717 ( 3.003 0.000 2.267) 3.763 17.815 ( 3.336 0.000 -4.658) 5.729 19.427 ( 3.758 0.000 -1.114) 3.920 19.482 ( 3.643 0.000 3.968) 5.387 19.746 ( -3.245 0.000 0.268) 3.256 20.089 ( 3.069 0.000 -4.276) 5.264 21.272 ( -0.609 0.000 -4.495) 4.536 21.335 ( -0.192 0.000 1.336) 1.349 21.426 ( -0.834 0.000 -3.031) 3.143 21.526 ( 0.961 0.000 2.942) 3.095 21.889 ( 1.065 0.000 -2.151) 2.401 22.155 ( 5.171 0.000 2.481) 5.736 22.760 ( 1.383 0.000 1.073) 1.751 22.892 ( 5.239 0.000 -1.470) 5.441 24.581 ( -6.382 0.000 1.855) 6.647 24.594 ( -3.310 0.000 -0.493) 3.346 24.644 ( -3.191 0.000 0.539) 3.236 24.690 ( -1.246 0.000 -4.490) 4.659 25.157 ( 1.176 0.000 -2.829) 3.064 25.215 ( -2.502 0.000 4.847) 5.455 25.583 ( 10.055 0.000 -1.693) 10.197 25.688 ( 7.017 0.000 4.245) 8.201 26.650 ( 3.308 0.000 3.625) 4.907 26.678 ( 2.411 0.000 4.118) 4.772 27.110 ( 1.432 0.000 0.398) 1.486 27.183 ( 3.395 0.000 0.934) 3.522 27.805 ( 1.570 0.000 4.799) 5.049 27.851 ( 4.076 0.000 0.073) 4.076 28.106 ( -1.953 0.000 0.753) 2.093 28.323 ( -0.511 0.000 -7.007) 7.026 28.633 ( 0.846 0.000 -5.934) 5.994 28.701 ( 2.582 0.000 1.933) 3.226 28.813 ( 0.588 0.000 5.894) 5.923 29.039 ( 7.826 0.000 -4.645) 9.101 29.825 ( -9.291 0.000 2.326) 9.577 29.919 ( -10.041 0.000 4.994) 11.214 29.932 ( -11.935 0.000 -3.377) 12.404 30.130 ( -10.209 0.000 -1.868) 10.379 30.829 ( -2.579 0.000 3.312) 4.198 30.859 ( -0.275 0.000 -6.266) 6.272 31.326 ( -11.880 0.000 3.099) 12.278 31.739 ( 0.579 0.000 1.669) 1.767 31.857 ( -6.392 0.000 -1.385) 6.540 32.200 ( 4.323 0.000 -3.232) 5.397 32.284 ( -0.442 0.000 -1.460) 1.525 32.358 ( 4.434 0.000 -1.943) 4.841 32.675 ( 2.243 0.000 0.847) 2.398 32.770 ( 5.249 0.000 -2.308) 5.734 32.772 ( -1.766 0.000 -2.691) 3.219 32.798 ( 5.039 0.000 3.659) 6.227 99.262 ( -1.064 0.000 0.574) 1.209 99.293 ( -0.168 0.000 -2.024) 2.031 99.352 ( 1.073 0.000 0.790) 1.332 99.418 ( 2.498 0.000 1.940) 3.163 102.268 ( -0.634 0.000 0.831) 1.045 102.364 ( 0.504 0.000 -2.520) 2.570 102.474 ( 4.193 0.000 5.639) 7.027 102.530 ( 3.074 0.000 -0.976) 3.226 107.353 ( -1.102 0.000 -0.738) 1.326 107.383 ( -0.779 0.000 0.896) 1.187 107.401 ( -0.146 0.000 -1.470) 1.477 107.441 ( 0.540 0.000 0.668) 0.859 109.322 ( -0.332 0.000 -0.499) 0.600 109.325 ( -0.307 0.000 0.137) 0.336 109.380 ( -0.771 0.000 1.266) 1.482 109.382 ( -0.465 0.000 -1.429) 1.502 ======================= Grid point 113 (57/78) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -32.485 0.000 25.925) 41.562 2.203 ( -36.652 0.000 25.173) 44.464 2.843 ( -16.572 0.000 1.655) 16.654 2.851 ( -9.615 0.000 -20.933) 23.035 3.269 ( -0.329 0.000 11.219) 11.224 3.350 ( -29.341 0.000 23.146) 37.372 3.424 ( -6.440 0.000 -26.199) 26.979 3.537 ( -10.271 0.000 12.531) 16.202 3.786 ( -3.311 0.000 -2.943) 4.430 3.999 ( 7.386 0.000 -0.050) 7.386 4.042 ( 11.457 0.000 -16.135) 19.789 4.466 ( 5.399 0.000 -0.528) 5.425 4.472 ( -2.341 0.000 -2.309) 3.288 4.674 ( -14.326 0.000 -9.540) 17.212 4.686 ( 4.930 0.000 11.154) 12.195 4.832 ( -2.681 0.000 -3.793) 4.644 5.002 ( -1.871 0.000 5.573) 5.879 5.140 ( 2.898 0.000 -5.061) 5.832 5.268 ( -4.055 0.000 -2.484) 4.755 5.374 ( 0.493 0.000 -7.100) 7.117 5.429 ( 10.852 0.000 -1.573) 10.965 5.658 ( -1.772 0.000 -15.435) 15.537 5.752 ( -5.841 0.000 9.180) 10.880 5.780 ( 6.864 0.000 -0.644) 6.894 5.865 ( -4.590 0.000 -19.645) 20.174 5.913 ( -0.427 0.000 0.352) 0.553 6.001 ( -4.403 0.000 -0.608) 4.444 6.153 ( 0.180 0.000 2.551) 2.557 6.296 ( 6.600 0.000 1.956) 6.883 6.346 ( 0.099 0.000 2.460) 2.462 6.541 ( -1.342 0.000 4.106) 4.320 6.618 ( -0.891 0.000 0.658) 1.108 6.692 ( 3.768 0.000 -1.389) 4.016 6.720 ( -14.005 0.000 7.966) 16.112 6.796 ( 3.245 0.000 -7.390) 8.071 6.904 ( -2.113 0.000 6.359) 6.701 7.059 ( 2.423 0.000 1.924) 3.094 7.198 ( 10.602 0.000 2.548) 10.904 7.283 ( 5.044 0.000 -3.329) 6.043 7.387 ( 1.848 0.000 -2.503) 3.111 7.420 ( -3.954 0.000 1.381) 4.188 7.467 ( 11.197 0.000 1.668) 11.321 7.527 ( 3.098 0.000 -2.976) 4.296 7.535 ( 3.640 0.000 5.803) 6.850 7.733 ( 10.346 0.000 0.831) 10.379 7.983 ( 3.579 0.000 5.396) 6.475 8.031 ( -1.177 0.000 4.259) 4.418 8.118 ( -4.413 0.000 1.436) 4.640 8.179 ( -0.674 0.000 -1.372) 1.529 8.313 ( 12.036 0.000 6.715) 13.783 8.401 ( 1.141 0.000 -8.295) 8.373 8.544 ( 3.311 0.000 4.803) 5.833 8.599 ( -5.238 0.000 7.384) 9.053 8.803 ( -1.466 0.000 9.825) 9.934 8.816 ( -1.064 0.000 -5.200) 5.308 8.842 ( 0.431 0.000 -7.381) 7.394 8.933 ( -3.799 0.000 -4.444) 5.847 9.125 ( -1.469 0.000 4.222) 4.470 9.152 ( 3.629 0.000 3.101) 4.774 9.237 ( 2.109 0.000 -4.545) 5.010 9.252 ( -5.594 0.000 3.834) 6.782 9.391 ( -3.521 0.000 3.612) 5.044 9.434 ( 3.711 0.000 2.744) 4.615 9.767 ( -4.189 0.000 -2.798) 5.037 9.817 ( 8.898 0.000 -1.879) 9.095 9.819 ( -4.164 0.000 -5.968) 7.277 9.880 ( -0.554 0.000 0.552) 0.782 9.969 ( 2.871 0.000 -0.705) 2.956 10.134 ( 4.091 0.000 4.180) 5.849 10.195 ( 1.063 0.000 -6.398) 6.486 10.275 ( 4.643 0.000 -2.682) 5.362 10.302 ( 3.618 0.000 -1.793) 4.038 10.397 ( -3.892 0.000 1.024) 4.025 10.465 ( 0.262 0.000 4.918) 4.925 10.744 ( -1.521 0.000 -6.431) 6.609 10.753 ( 2.033 0.000 -3.200) 3.791 10.896 ( -0.358 0.000 -2.538) 2.563 10.912 ( -0.926 0.000 4.620) 4.712 11.055 ( -0.959 0.000 5.238) 5.325 11.192 ( -6.084 0.000 1.258) 6.213 11.405 ( 2.355 0.000 -5.598) 6.073 11.416 ( -1.765 0.000 -2.131) 2.767 11.621 ( -2.289 0.000 0.600) 2.366 11.749 ( 1.521 0.000 3.155) 3.503 11.888 ( 1.950 0.000 1.689) 2.580 11.908 ( -2.907 0.000 4.305) 5.194 12.104 ( 4.778 0.000 -3.600) 5.982 12.240 ( 3.185 0.000 4.550) 5.554 12.357 ( -2.357 0.000 -3.957) 4.606 12.417 ( 0.508 0.000 4.976) 5.002 12.438 ( -2.025 0.000 -1.563) 2.558 12.572 ( -8.458 0.000 -3.655) 9.214 12.784 ( 5.633 0.000 3.931) 6.869 12.819 ( 8.179 0.000 -0.174) 8.180 12.880 ( -0.566 0.000 -3.233) 3.282 12.985 ( 0.031 0.000 1.500) 1.500 12.986 ( -1.643 0.000 -10.314) 10.444 13.154 ( 9.350 0.000 -1.227) 9.430 13.268 ( 4.948 0.000 -6.836) 8.438 13.356 ( -9.431 0.000 2.646) 9.795 13.391 ( 1.465 0.000 4.559) 4.788 13.553 ( 0.880 0.000 2.716) 2.855 13.641 ( -1.556 0.000 -0.340) 1.593 13.938 ( -0.539 0.000 2.864) 2.915 13.971 ( -1.020 0.000 4.157) 4.280 14.132 ( -2.053 0.000 3.179) 3.784 14.254 ( 2.540 0.000 -2.129) 3.314 14.258 ( -6.304 0.000 -7.062) 9.466 14.547 ( -8.776 0.000 6.679) 11.028 14.691 ( -8.121 0.000 -9.803) 12.730 14.968 ( 0.180 0.000 0.611) 0.637 15.065 ( 1.345 0.000 2.835) 3.138 15.190 ( -1.533 0.000 1.692) 2.283 15.314 ( -3.776 0.000 7.145) 8.081 15.404 ( -0.386 0.000 4.260) 4.278 15.612 ( 3.619 0.000 -5.786) 6.824 15.641 ( 2.614 0.000 5.227) 5.844 15.819 ( -6.566 0.000 3.991) 7.683 15.881 ( 8.465 0.000 0.505) 8.480 16.067 ( -3.321 0.000 1.366) 3.591 16.076 ( -5.804 0.000 -0.817) 5.861 16.210 ( -1.985 0.000 5.034) 5.412 16.247 ( -2.011 0.000 -1.658) 2.606 16.356 ( -0.611 0.000 -2.737) 2.805 16.606 ( 5.773 0.000 0.110) 5.774 16.765 ( 0.824 0.000 -3.450) 3.547 16.853 ( 1.623 0.000 -7.980) 8.143 16.941 ( -2.568 0.000 -0.210) 2.577 17.112 ( 3.309 0.000 2.609) 4.214 17.114 ( 5.628 0.000 0.344) 5.638 17.313 ( 2.344 0.000 0.549) 2.407 17.448 ( -2.261 0.000 3.622) 4.270 17.792 ( 4.529 0.000 -2.532) 5.188 17.830 ( 2.824 0.000 -7.386) 7.908 19.494 ( 3.859 0.000 -0.627) 3.909 19.540 ( 0.750 0.000 -0.652) 0.994 19.771 ( 2.621 0.000 6.820) 7.306 20.070 ( 0.986 0.000 -9.308) 9.361 21.211 ( -1.945 0.000 -4.968) 5.335 21.337 ( -0.513 0.000 0.583) 0.777 21.381 ( -0.789 0.000 -2.429) 2.553 21.551 ( -0.262 0.000 0.950) 0.986 21.920 ( 2.466 0.000 1.145) 2.719 22.247 ( 3.403 0.000 -0.508) 3.441 22.810 ( 2.587 0.000 1.714) 3.104 22.978 ( 5.246 0.000 -2.773) 5.934 24.465 ( -7.100 0.000 2.132) 7.413 24.521 ( -3.663 0.000 -0.856) 3.762 24.571 ( -4.289 0.000 -0.104) 4.290 24.617 ( -2.494 0.000 -4.652) 5.279 25.169 ( 2.448 0.000 -2.533) 3.523 25.207 ( -1.973 0.000 3.906) 4.376 25.788 ( 11.644 0.000 -0.640) 11.662 25.878 ( 8.751 0.000 3.839) 9.556 26.769 ( 2.705 0.000 5.464) 6.097 26.811 ( 8.602 0.000 8.184) 11.873 27.147 ( 2.209 0.000 0.629) 2.297 27.257 ( 3.423 0.000 0.601) 3.475 27.905 ( 3.370 0.000 8.661) 9.294 27.944 ( 4.633 0.000 1.782) 4.964 28.085 ( -0.975 0.000 -0.025) 0.975 28.216 ( -2.845 0.000 -9.156) 9.587 28.596 ( 0.630 0.000 -5.616) 5.651 28.766 ( 2.749 0.000 0.469) 2.789 28.875 ( 1.378 0.000 4.629) 4.829 29.122 ( 3.579 0.000 -4.106) 5.447 29.628 ( -11.925 0.000 0.091) 11.925 29.733 ( -8.861 0.000 6.015) 10.710 29.743 ( -12.286 0.000 5.367) 13.407 29.835 ( -17.298 0.000 -4.912) 17.982 30.789 ( -3.668 0.000 0.720) 3.738 30.831 ( 3.551 0.000 -7.008) 7.856 31.093 ( -14.376 0.000 2.958) 14.677 31.743 ( -1.529 0.000 1.384) 2.062 31.744 ( -3.509 0.000 -1.745) 3.919 32.251 ( 4.785 0.000 -9.639) 10.762 32.273 ( -0.013 0.000 0.093) 0.094 32.410 ( 1.877 0.000 -3.494) 3.967 32.658 ( -5.844 0.000 -5.558) 8.064 32.687 ( -0.401 0.000 0.200) 0.448 32.905 ( 8.580 0.000 -1.559) 8.721 32.921 ( 5.363 0.000 1.983) 5.718 99.248 ( -1.007 0.000 0.751) 1.256 99.274 ( 0.044 0.000 -1.989) 1.990 99.383 ( 1.425 0.000 0.838) 1.653 99.490 ( 3.270 0.000 1.258) 3.504 102.267 ( -0.378 0.000 1.195) 1.253 102.354 ( 0.733 0.000 -2.418) 2.527 102.581 ( 3.267 0.000 -1.350) 3.535 102.637 ( 7.400 0.000 5.322) 9.115 107.330 ( -0.826 0.000 -0.218) 0.854 107.371 ( -1.022 0.000 0.486) 1.132 107.383 ( -0.528 0.000 -1.398) 1.495 107.450 ( 0.216 0.000 -0.305) 0.374 109.311 ( -0.352 0.000 -0.512) 0.622 109.320 ( -0.337 0.000 0.076) 0.345 109.357 ( -0.858 0.000 -1.062) 1.366 109.374 ( -0.929 0.000 1.257) 1.563 ======================= Grid point 114 (58/78) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -25.040 0.000 30.655) 39.582 1.788 ( -30.436 0.000 31.752) 43.983 2.577 ( 2.957 0.000 -27.584) 27.742 2.593 ( -10.432 0.000 -1.539) 10.545 2.830 ( -39.263 0.000 52.363) 65.448 3.077 ( -1.273 0.000 -28.785) 28.813 3.463 ( -10.871 0.000 10.382) 15.032 3.670 ( 19.503 0.000 0.306) 19.505 3.783 ( 3.894 0.000 -4.273) 5.781 4.086 ( 9.837 0.000 -19.483) 21.825 4.125 ( 4.710 0.000 -1.310) 4.889 4.390 ( -6.494 0.000 1.667) 6.704 4.446 ( -3.841 0.000 2.476) 4.570 4.593 ( 9.768 0.000 -2.709) 10.137 4.735 ( -1.341 0.000 -5.298) 5.465 4.854 ( 0.619 0.000 7.932) 7.956 5.010 ( -0.445 0.000 1.068) 1.157 5.116 ( 4.235 0.000 -13.839) 14.472 5.202 ( -0.693 0.000 -3.734) 3.798 5.274 ( -3.771 0.000 -9.089) 9.840 5.492 ( -5.725 0.000 -10.649) 12.090 5.513 ( -0.249 0.000 -9.728) 9.731 5.664 ( 2.873 0.000 1.883) 3.435 5.814 ( 2.349 0.000 4.343) 4.937 5.819 ( -2.981 0.000 -2.325) 3.780 5.943 ( -1.029 0.000 1.033) 1.458 5.953 ( 5.485 0.000 0.040) 5.485 6.195 ( 0.352 0.000 0.474) 0.591 6.249 ( -13.881 0.000 10.393) 17.341 6.380 ( 2.166 0.000 -1.783) 2.806 6.489 ( -8.006 0.000 -1.200) 8.096 6.490 ( -6.715 0.000 0.070) 6.716 6.634 ( -0.724 0.000 7.175) 7.211 6.793 ( 3.618 0.000 0.765) 3.698 6.826 ( 4.728 0.000 -3.014) 5.607 6.884 ( -2.626 0.000 3.397) 4.294 7.208 ( 7.771 0.000 5.115) 9.303 7.290 ( 3.244 0.000 -6.306) 7.092 7.308 ( 0.740 0.000 -2.359) 2.472 7.374 ( -3.185 0.000 5.721) 6.548 7.389 ( 1.646 0.000 -3.865) 4.201 7.537 ( 0.319 0.000 2.555) 2.575 7.593 ( -2.530 0.000 1.383) 2.883 7.696 ( 10.549 0.000 -4.998) 11.673 7.816 ( -1.842 0.000 0.417) 1.889 7.945 ( -11.418 0.000 5.745) 12.782 8.143 ( 5.745 0.000 -0.422) 5.760 8.157 ( 7.222 0.000 6.006) 9.393 8.192 ( -2.268 0.000 -7.536) 7.870 8.336 ( 5.776 0.000 -1.808) 6.052 8.433 ( -5.643 0.000 -1.923) 5.961 8.588 ( -0.412 0.000 6.097) 6.111 8.635 ( -0.529 0.000 8.130) 8.147 8.794 ( 3.445 0.000 -2.092) 4.030 8.817 ( 2.738 0.000 -0.288) 2.753 8.829 ( -4.310 0.000 7.839) 8.945 8.970 ( 6.894 0.000 1.887) 7.148 9.110 ( -5.697 0.000 6.234) 8.445 9.133 ( -0.268 0.000 -7.717) 7.722 9.220 ( 3.564 0.000 -1.513) 3.872 9.324 ( 7.370 0.000 -5.690) 9.311 9.400 ( -1.862 0.000 5.724) 6.019 9.525 ( 1.461 0.000 2.289) 2.716 9.668 ( -4.258 0.000 -2.480) 4.928 9.672 ( -5.115 0.000 -2.294) 5.606 9.801 ( -2.029 0.000 -10.922) 11.109 9.930 ( 5.471 0.000 1.900) 5.792 10.057 ( 2.752 0.000 5.417) 6.076 10.210 ( 2.610 0.000 0.182) 2.617 10.212 ( 6.238 0.000 -1.191) 6.351 10.335 ( -3.736 0.000 5.224) 6.422 10.346 ( 2.034 0.000 2.046) 2.885 10.435 ( 7.646 0.000 -0.311) 7.652 10.538 ( 0.184 0.000 6.951) 6.953 10.705 ( 0.175 0.000 -4.268) 4.271 10.763 ( 2.817 0.000 -4.636) 5.425 10.818 ( -0.504 0.000 -1.048) 1.162 10.945 ( 0.517 0.000 4.075) 4.108 11.035 ( -8.019 0.000 -0.786) 8.058 11.214 ( 6.442 0.000 9.028) 11.091 11.405 ( 2.971 0.000 -1.903) 3.528 11.445 ( 5.480 0.000 -5.215) 7.565 11.515 ( -8.248 0.000 0.121) 8.249 11.792 ( 2.100 0.000 -0.192) 2.109 11.873 ( -6.104 0.000 7.589) 9.739 11.914 ( -0.850 0.000 2.573) 2.710 12.092 ( -1.452 0.000 -5.150) 5.350 12.227 ( -3.689 0.000 0.435) 3.714 12.294 ( -5.958 0.000 -1.467) 6.136 12.319 ( -1.771 0.000 -7.234) 7.447 12.478 ( -2.005 0.000 1.535) 2.525 12.511 ( 3.640 0.000 1.269) 3.855 12.830 ( -0.871 0.000 -1.473) 1.712 12.889 ( 4.141 0.000 -0.424) 4.163 12.925 ( 4.039 0.000 -1.893) 4.460 12.991 ( 7.154 0.000 3.708) 8.058 13.001 ( -1.452 0.000 -1.469) 2.066 13.205 ( -5.460 0.000 0.087) 5.461 13.242 ( 1.437 0.000 -6.574) 6.730 13.306 ( 4.826 0.000 -3.140) 5.758 13.470 ( 0.331 0.000 6.020) 6.029 13.600 ( -0.796 0.000 -3.864) 3.945 13.603 ( -2.966 0.000 8.715) 9.205 13.897 ( -2.857 0.000 -3.330) 4.388 13.935 ( -1.705 0.000 -2.834) 3.308 14.068 ( -7.134 0.000 3.767) 8.067 14.074 ( -6.621 0.000 -2.171) 6.967 14.247 ( -3.831 0.000 -4.671) 6.041 14.574 ( 2.237 0.000 8.133) 8.435 14.577 ( 8.810 0.000 -11.242) 14.283 15.003 ( 2.774 0.000 1.834) 3.326 15.122 ( 1.126 0.000 4.542) 4.680 15.243 ( 4.034 0.000 5.815) 7.078 15.311 ( -2.441 0.000 5.589) 6.099 15.414 ( -2.828 0.000 5.502) 6.187 15.606 ( 1.129 0.000 -8.814) 8.886 15.733 ( 2.165 0.000 2.834) 3.566 15.795 ( 0.542 0.000 5.018) 5.047 15.915 ( -6.379 0.000 -1.468) 6.545 15.938 ( -4.679 0.000 0.231) 4.685 16.090 ( 6.737 0.000 1.501) 6.902 16.221 ( 0.638 0.000 -1.800) 1.909 16.243 ( -0.361 0.000 3.822) 3.839 16.317 ( -1.187 0.000 -3.503) 3.699 16.725 ( 4.702 0.000 2.860) 5.504 16.733 ( -2.959 0.000 1.161) 3.179 16.818 ( 1.556 0.000 -7.480) 7.640 16.910 ( -1.266 0.000 0.258) 1.292 17.191 ( 2.543 0.000 2.701) 3.709 17.245 ( 5.617 0.000 3.581) 6.662 17.357 ( 1.987 0.000 -0.013) 1.987 17.406 ( -3.931 0.000 1.912) 4.371 17.771 ( -2.677 0.000 -7.153) 7.637 17.838 ( 3.997 0.000 -6.626) 7.738 19.546 ( 1.051 0.000 -0.221) 1.074 19.560 ( 3.131 0.000 -0.071) 3.132 19.864 ( -0.865 0.000 3.922) 4.017 19.985 ( 0.406 0.000 -12.227) 12.234 21.137 ( -0.836 0.000 -1.201) 1.463 21.318 ( -1.541 0.000 -1.004) 1.839 21.376 ( 0.877 0.000 0.918) 1.270 21.529 ( -1.871 0.000 -1.080) 2.160 21.995 ( 2.872 0.000 4.167) 5.061 22.270 ( 0.614 0.000 -3.426) 3.480 22.881 ( 2.473 0.000 2.806) 3.741 23.029 ( 2.613 0.000 -3.650) 4.489 24.365 ( -5.011 0.000 2.711) 5.698 24.449 ( -2.347 0.000 -1.780) 2.946 24.496 ( -2.813 0.000 -0.545) 2.866 24.518 ( -3.996 0.000 -3.146) 5.086 25.205 ( -1.583 0.000 3.334) 3.691 25.206 ( 3.086 0.000 -1.940) 3.645 25.985 ( 8.451 0.000 -0.417) 8.462 26.044 ( 5.644 0.000 0.239) 5.649 26.867 ( 2.260 0.000 6.124) 6.527 27.045 ( 7.550 0.000 -0.530) 7.568 27.240 ( 7.283 0.000 3.017) 7.883 27.314 ( 1.950 0.000 0.420) 1.994 28.007 ( -5.677 0.000 2.876) 6.364 28.042 ( 3.185 0.000 2.312) 3.936 28.069 ( 1.220 0.000 1.913) 2.269 28.087 ( -1.829 0.000 -9.247) 9.427 28.674 ( 14.824 0.000 3.997) 15.353 28.825 ( 4.410 0.000 0.009) 4.410 28.951 ( 3.024 0.000 4.776) 5.653 29.072 ( -5.910 0.000 -1.046) 6.002 29.407 ( -20.779 0.000 -4.678) 21.299 29.478 ( -3.255 0.000 -1.750) 3.695 29.584 ( -8.584 0.000 5.112) 9.991 29.624 ( -10.237 0.000 9.174) 13.746 30.707 ( -3.963 0.000 -1.539) 4.251 30.792 ( -6.762 0.000 -4.416) 8.076 30.970 ( 5.944 0.000 0.401) 5.958 31.697 ( -4.436 0.000 -2.317) 5.005 31.699 ( -0.321 0.000 -0.470) 0.569 31.989 ( -20.467 0.000 -17.415) 26.874 32.285 ( 0.460 0.000 1.594) 1.659 32.394 ( 1.620 0.000 -2.903) 3.324 32.586 ( 0.280 0.000 0.903) 0.945 32.674 ( -0.720 0.000 -0.601) 0.938 33.023 ( 3.499 0.000 0.722) 3.573 33.032 ( 5.634 0.000 -1.741) 5.897 99.236 ( -0.896 0.000 0.887) 1.261 99.262 ( 0.340 0.000 -1.858) 1.888 99.421 ( 1.671 0.000 1.178) 2.045 99.538 ( 1.059 0.000 -1.515) 1.848 102.272 ( -0.370 0.000 1.748) 1.787 102.349 ( 0.799 0.000 -2.603) 2.723 102.635 ( 3.641 0.000 -1.149) 3.818 102.777 ( 2.617 0.000 -1.119) 2.846 107.319 ( -0.257 0.000 0.153) 0.299 107.353 ( -1.045 0.000 0.019) 1.045 107.362 ( -0.626 0.000 0.170) 0.648 107.441 ( -0.412 0.000 -1.421) 1.480 109.306 ( 0.211 0.000 -0.084) 0.228 109.314 ( -0.246 0.000 0.017) 0.247 109.341 ( 0.013 0.000 -0.059) 0.060 109.365 ( -1.127 0.000 1.096) 1.572 ======================= Grid point 115 (59/78) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 5.552 15.994 25.825) 30.880 1.918 ( -8.541 19.323 19.976) 29.075 2.424 ( -1.498 3.847 -1.801) 4.504 2.695 ( 8.389 13.603 -20.082) 25.665 2.943 ( -2.346 9.329 -0.809) 9.654 2.997 ( -6.832 9.736 10.460) 15.839 3.346 ( -8.429 0.303 9.576) 12.761 3.460 ( 5.644 -21.176 9.192) 23.765 3.877 ( -4.130 -7.767 -10.678) 13.835 4.020 ( 10.273 -5.282 -13.813) 18.006 4.104 ( -5.932 -4.528 1.442) 7.601 4.289 ( 7.134 -7.562 -10.056) 14.464 4.450 ( 0.582 1.500 8.399) 8.551 4.751 ( -4.981 2.862 -2.457) 6.249 4.799 ( 5.272 8.391 -9.729) 13.887 4.834 ( 6.241 0.499 -3.688) 7.267 4.989 ( 5.498 1.158 2.202) 6.035 5.055 ( -5.958 2.379 -3.041) 7.100 5.242 ( -3.273 2.156 6.050) 7.208 5.314 ( 1.658 5.228 -5.662) 7.883 5.432 ( -1.310 5.522 -2.816) 6.336 5.484 ( 0.921 1.654 -3.205) 3.722 5.617 ( -6.481 -6.150 1.566) 9.071 5.748 ( 5.047 -6.420 -5.623) 9.914 5.920 ( 4.956 2.065 6.420) 8.369 5.946 ( -3.118 2.261 -0.831) 3.940 6.040 ( -3.583 -3.714 4.465) 6.824 6.157 ( 3.241 1.879 6.335) 7.360 6.162 ( 2.079 1.706 -0.192) 2.697 6.262 ( -4.178 -0.524 -1.109) 4.355 6.365 ( -2.524 -1.170 1.127) 3.002 6.472 ( 4.337 -0.356 -9.563) 10.507 6.612 ( -0.766 -3.182 1.584) 3.636 6.679 ( -3.206 -7.148 1.867) 8.054 6.748 ( 2.376 -8.089 -0.322) 8.437 6.813 ( 2.559 -8.848 -7.484) 11.868 7.096 ( -4.178 -9.727 7.762) 13.127 7.260 ( 4.840 -9.334 -2.536) 10.816 7.338 ( -2.348 3.952 -3.275) 5.645 7.350 ( -0.338 0.048 0.299) 0.454 7.476 ( 0.835 2.136 6.824) 7.199 7.626 ( -0.193 1.910 -4.797) 5.167 7.669 ( -4.722 8.202 4.411) 10.441 7.759 ( -1.626 0.455 -1.353) 2.163 7.791 ( -1.669 1.315 0.942) 2.324 7.854 ( 3.837 2.883 -2.985) 5.652 7.979 ( -4.243 -5.828 4.754) 8.636 8.097 ( 5.648 -6.220 -4.822) 9.687 8.249 ( 3.603 -3.147 5.277) 7.122 8.364 ( -2.228 -2.684 -4.355) 5.580 8.443 ( -2.394 -1.023 4.221) 4.960 8.499 ( 1.469 -1.114 -0.960) 2.079 8.665 ( -3.842 2.156 4.413) 6.236 8.743 ( 0.397 -0.885 -1.117) 1.479 8.869 ( -7.899 3.811 3.871) 9.587 8.984 ( 7.435 3.980 -3.695) 9.208 9.057 ( 1.838 -3.649 6.298) 7.507 9.169 ( -2.571 5.054 0.031) 5.671 9.239 ( 4.663 -2.600 -0.243) 5.344 9.284 ( -5.024 6.767 4.091) 9.368 9.332 ( -7.546 2.802 1.656) 8.218 9.455 ( -3.653 8.160 4.043) 9.811 9.520 ( 8.985 5.784 -4.408) 11.559 9.666 ( 3.975 5.992 -4.181) 8.317 9.784 ( -3.104 4.818 1.054) 5.828 9.796 ( 0.039 6.781 -2.653) 7.282 10.041 ( 3.320 -2.268 0.967) 4.136 10.079 ( -1.419 0.106 -2.200) 2.620 10.213 ( -0.017 -6.491 3.625) 7.434 10.245 ( 2.664 -7.454 1.302) 8.022 10.306 ( -2.892 -2.222 5.079) 6.253 10.398 ( -0.526 -3.445 3.862) 5.202 10.427 ( 8.466 0.325 -6.295) 10.555 10.506 ( -3.222 -6.241 -4.927) 8.580 10.706 ( 1.022 5.534 4.135) 6.983 10.761 ( -3.234 1.762 -0.690) 3.747 10.859 ( 3.873 0.105 -2.570) 4.650 10.911 ( 3.879 -3.346 -5.496) 7.513 11.128 ( -2.008 2.068 4.162) 5.063 11.173 ( -3.216 1.919 0.074) 3.745 11.406 ( -0.830 -4.511 2.633) 5.288 11.482 ( 3.733 -5.670 -4.450) 8.117 11.599 ( -1.007 8.251 6.551) 10.584 11.756 ( -1.106 5.008 -6.077) 7.952 11.900 ( 3.891 -0.736 4.607) 6.075 11.963 ( -5.142 0.889 5.928) 7.898 12.036 ( -2.322 -1.222 -3.454) 4.338 12.123 ( 6.777 -2.211 -5.790) 9.184 12.222 ( -1.493 3.435 0.087) 3.747 12.273 ( -0.680 3.631 -2.561) 4.495 12.477 ( -0.821 -0.653 1.681) 1.982 12.565 ( 0.967 -0.827 -5.074) 5.231 12.847 ( -1.128 -4.345 1.199) 4.646 12.861 ( 2.709 -5.178 -0.862) 5.907 12.910 ( 2.506 0.594 1.201) 2.841 12.958 ( 1.624 0.053 -0.957) 1.886 13.137 ( 2.854 -0.371 0.214) 2.886 13.162 ( -3.434 -0.334 -1.329) 3.698 13.258 ( 1.573 2.937 0.442) 3.361 13.280 ( -3.421 1.886 -1.297) 4.116 13.504 ( -5.493 1.243 6.417) 8.537 13.572 ( -2.766 -0.476 8.814) 9.250 13.623 ( -1.296 2.264 -2.959) 3.945 13.764 ( -1.749 -3.351 -5.950) 7.049 13.979 ( -3.037 3.892 4.203) 6.484 14.091 ( -0.948 4.230 0.304) 4.346 14.098 ( 1.165 5.240 -1.432) 5.556 14.189 ( 3.537 8.135 -3.585) 9.568 14.530 ( -2.588 -6.251 1.101) 6.855 14.648 ( 9.200 -4.858 -9.382) 14.010 15.070 ( 2.455 -1.082 3.500) 4.410 15.119 ( -4.387 -1.614 -0.415) 4.692 15.358 ( 3.323 -0.412 2.925) 4.446 15.394 ( 3.485 -2.571 -0.422) 4.351 15.415 ( 1.084 4.344 6.443) 7.846 15.572 ( 1.690 3.996 -7.261) 8.458 15.740 ( 4.104 -2.845 0.500) 5.019 15.762 ( -2.643 -0.383 -2.422) 3.606 15.822 ( -0.976 -3.801 3.012) 4.947 15.929 ( 1.755 -3.682 -6.040) 7.288 16.161 ( 0.307 -0.256 4.583) 4.600 16.231 ( -1.688 -0.432 -2.438) 2.996 16.273 ( -1.825 3.253 2.046) 4.254 16.308 ( 1.839 3.119 -0.841) 3.717 16.624 ( -2.540 -4.299 3.025) 5.838 16.653 ( -1.741 -7.575 0.620) 7.797 16.844 ( -2.663 2.628 4.684) 5.995 16.923 ( 1.486 0.876 -3.015) 3.474 17.232 ( 0.875 -1.055 3.325) 3.597 17.282 ( 2.304 -2.965 0.402) 3.776 17.354 ( -3.027 0.639 1.164) 3.305 17.394 ( -1.248 -0.394 -1.381) 1.902 17.636 ( -3.984 -1.017 5.136) 6.579 17.767 ( 1.065 -4.659 -6.661) 8.198 19.573 ( 0.944 0.053 2.182) 2.378 19.608 ( 0.217 0.650 0.405) 0.795 19.765 ( -5.556 0.224 0.309) 5.570 19.895 ( 3.196 -3.015 -10.137) 11.049 21.231 ( 4.351 2.397 1.821) 5.290 21.279 ( -1.616 1.323 -2.364) 3.154 21.426 ( 1.018 0.667 1.928) 2.280 21.489 ( -2.468 -0.330 -4.407) 5.061 22.272 ( 0.022 13.222 2.672) 13.489 22.357 ( -0.158 11.441 -5.419) 12.660 22.875 ( -0.051 -4.967 3.720) 6.206 22.960 ( -0.470 -5.030 -4.097) 6.504 24.350 ( -0.742 1.459 2.911) 3.340 24.421 ( 1.995 0.144 -2.500) 3.201 24.437 ( -1.326 -0.498 -0.176) 1.427 24.470 ( 0.940 -0.118 -2.211) 2.405 25.295 ( -2.343 8.825 2.273) 9.409 25.330 ( 1.772 7.764 -0.927) 8.018 25.935 ( -2.410 -11.673 0.910) 11.954 25.939 ( 1.086 -11.406 0.356) 11.463 26.957 ( -0.245 1.024 6.211) 6.299 27.048 ( -1.343 -1.607 -2.226) 3.056 27.291 ( -0.768 -2.509 2.379) 3.541 27.315 ( -0.784 -1.884 -0.098) 2.043 27.915 ( -3.371 3.976 5.932) 7.897 28.037 ( 0.870 0.205 -3.482) 3.595 28.072 ( -0.864 0.960 1.575) 2.037 28.135 ( 1.878 1.303 -3.345) 4.052 28.945 ( -2.213 0.624 1.663) 2.838 28.955 ( -3.669 0.635 1.272) 3.935 28.993 ( 9.289 -0.053 1.027) 9.345 29.040 ( 0.164 -3.023 -1.143) 3.236 29.186 ( 13.510 -2.747 3.109) 14.132 29.269 ( -10.801 -3.856 -3.988) 12.142 29.527 ( -0.401 -2.274 3.121) 3.882 29.539 ( 4.018 -2.443 1.631) 4.977 30.681 ( -4.400 3.291 0.294) 5.502 30.727 ( 2.801 3.508 -3.733) 5.838 31.063 ( -11.987 -9.519 3.481) 15.698 31.095 ( 9.514 -7.299 0.470) 12.001 31.873 ( -0.500 10.729 5.530) 12.081 32.035 ( -2.766 14.667 -10.039) 17.987 32.263 ( 0.357 -4.234 2.899) 5.144 32.361 ( 0.616 -2.446 -5.658) 6.194 32.669 ( 1.009 4.615 2.733) 5.458 32.737 ( -1.078 5.793 -3.929) 7.083 33.025 ( -0.360 -0.845 1.434) 1.703 33.092 ( -0.430 -0.075 -4.623) 4.643 99.234 ( -0.486 0.423 0.705) 0.955 99.254 ( 0.415 -0.254 -1.287) 1.376 99.474 ( 0.860 0.756 1.384) 1.796 99.498 ( -2.028 -0.165 -0.842) 2.202 102.318 ( -0.727 3.121 2.251) 3.916 102.368 ( -0.261 2.588 -2.425) 3.556 102.624 ( -4.037 -5.589 2.253) 7.253 102.648 ( 2.008 -4.334 -0.335) 4.789 107.336 ( 0.776 0.801 0.833) 1.392 107.354 ( -0.724 0.683 -0.414) 1.078 107.384 ( 0.801 1.241 0.242) 1.497 107.416 ( -0.837 0.110 -2.122) 2.283 109.310 ( 0.081 -0.023 -0.006) 0.084 109.311 ( 0.000 -0.024 -0.084) 0.087 109.351 ( -0.738 0.085 0.488) 0.889 109.359 ( 1.304 -0.251 -0.236) 1.349 ======================= Grid point 116 (60/78) ======================= q-point: ( 0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 8.754 13.954 6.212) 17.605 2.200 ( 21.431 10.749 14.562) 28.052 2.420 ( 6.752 14.132 -4.043) 16.175 2.719 ( -0.429 8.518 5.368) 10.078 2.854 ( 11.252 10.225 -23.888) 28.316 3.239 ( 14.034 -8.200 12.361) 20.420 3.417 ( 4.226 -1.161 9.704) 10.647 3.683 ( -2.360 -10.360 4.870) 11.688 3.725 ( 9.150 -13.875 -4.813) 17.303 3.915 ( -15.542 -4.492 7.214) 17.713 4.017 ( -0.930 -0.041 -8.626) 8.676 4.265 ( 2.032 -14.957 -6.554) 16.456 4.545 ( -9.462 3.609 -1.910) 10.306 4.591 ( 1.767 3.745 9.333) 10.211 4.764 ( 13.608 12.376 -29.681) 34.918 4.889 ( -5.236 0.761 1.514) 5.503 4.971 ( 3.513 7.291 -0.594) 8.115 5.127 ( 2.345 4.958 3.932) 6.749 5.282 ( 3.367 5.584 -2.443) 6.963 5.381 ( 0.814 8.145 1.603) 8.341 5.457 ( 1.845 2.016 -0.799) 2.847 5.516 ( 1.804 -1.487 6.212) 6.637 5.549 ( 6.048 4.197 -3.638) 8.212 5.822 ( 4.996 -6.655 -2.520) 8.695 5.828 ( -4.561 8.777 2.215) 10.136 5.990 ( -0.427 -0.799 -3.221) 3.346 6.071 ( -3.614 5.789 1.372) 6.961 6.151 ( -1.193 -1.511 0.802) 2.085 6.228 ( 4.676 -8.888 1.166) 10.110 6.331 ( -1.947 -3.458 4.064) 5.681 6.388 ( 7.213 -5.609 7.056) 11.545 6.473 ( 7.831 -4.552 -10.839) 14.126 6.612 ( -6.970 -11.846 1.687) 13.847 6.656 ( 2.244 -6.033 4.068) 7.615 6.711 ( 3.418 -1.721 -5.771) 6.924 6.867 ( 3.558 -8.743 -2.346) 9.726 7.079 ( -3.905 -9.667 7.210) 12.676 7.177 ( -7.802 5.296 -4.499) 10.448 7.294 ( -0.941 -1.585 -1.271) 2.239 7.381 ( 1.618 1.159 -1.725) 2.634 7.473 ( -2.859 1.642 0.000) 3.297 7.566 ( -4.966 3.738 6.556) 9.033 7.696 ( -5.463 -6.300 2.951) 8.846 7.742 ( 4.082 -2.806 4.024) 6.382 7.763 ( -0.600 1.086 -2.324) 2.635 7.834 ( -2.574 3.669 -0.602) 4.522 8.000 ( 5.146 2.152 -0.784) 5.632 8.196 ( 3.943 -6.506 -4.428) 8.802 8.280 ( 1.761 -1.006 -4.085) 4.561 8.285 ( -6.661 -2.833 3.192) 7.911 8.420 ( -2.414 3.156 2.735) 4.824 8.501 ( -0.874 -6.115 0.382) 6.189 8.590 ( -6.599 2.973 5.105) 8.857 8.712 ( -5.008 -1.350 -0.115) 5.188 8.822 ( -1.082 1.386 5.536) 5.809 9.042 ( -3.920 -4.448 -1.566) 6.132 9.078 ( -0.106 3.409 0.588) 3.461 9.134 ( 2.598 1.223 -1.779) 3.378 9.175 ( -4.850 4.840 -0.964) 6.919 9.266 ( -1.424 5.761 6.546) 8.836 9.335 ( 0.299 1.211 3.870) 4.066 9.411 ( -3.312 4.691 2.850) 6.411 9.595 ( 1.808 5.311 -6.174) 8.342 9.685 ( -4.362 6.104 -4.258) 8.626 9.723 ( 3.828 3.299 -2.202) 5.513 9.817 ( 1.913 5.931 2.258) 6.628 9.920 ( -6.253 -2.276 -0.274) 6.660 10.066 ( -4.320 -4.084 -0.006) 5.945 10.151 ( -2.393 -2.273 -0.032) 3.301 10.291 ( -0.217 0.949 -1.662) 1.927 10.313 ( 1.217 -4.646 0.380) 4.818 10.414 ( -1.269 -2.577 -6.965) 7.534 10.476 ( 0.153 -2.965 -1.460) 3.309 10.544 ( 7.714 -1.589 1.372) 7.995 10.658 ( -5.226 5.298 -0.996) 7.509 10.740 ( -0.566 3.327 1.518) 3.701 10.887 ( 2.905 1.194 -4.596) 5.567 10.989 ( 0.359 -1.325 2.215) 2.606 11.018 ( 1.417 1.974 0.216) 2.439 11.277 ( 1.350 -1.405 2.270) 2.992 11.327 ( -3.423 -3.098 -3.242) 5.642 11.389 ( -5.232 -7.669 -3.094) 9.785 11.643 ( -0.809 3.036 8.317) 8.891 11.762 ( 4.071 11.122 -5.049) 12.875 11.930 ( 0.888 -1.346 4.795) 5.059 11.997 ( 1.012 0.037 -5.705) 5.794 12.051 ( 7.640 -1.115 -1.316) 7.832 12.185 ( -0.938 2.072 1.773) 2.884 12.266 ( 1.404 -5.180 0.238) 5.372 12.297 ( 7.250 4.628 -0.756) 8.634 12.447 ( -2.178 -1.476 1.570) 3.064 12.543 ( -0.241 -1.807 -2.154) 2.822 12.812 ( -2.724 -4.725 -0.128) 5.456 12.901 ( 0.376 -3.155 -4.372) 5.405 12.918 ( -0.342 0.882 -2.781) 2.937 12.945 ( -0.538 1.603 -2.345) 2.891 13.067 ( -3.542 0.105 0.034) 3.543 13.165 ( -1.763 0.171 3.782) 4.176 13.216 ( -0.768 2.120 -0.776) 2.385 13.277 ( -3.812 1.251 0.740) 4.080 13.501 ( 1.091 2.914 8.459) 9.013 13.588 ( -1.442 2.502 -0.852) 3.011 13.655 ( 3.582 -1.805 10.474) 11.216 13.695 ( -1.310 -3.375 -1.358) 3.867 13.979 ( -0.861 1.572 5.517) 5.801 14.096 ( 0.679 -1.576 0.716) 1.859 14.155 ( 3.073 4.740 -1.403) 5.821 14.295 ( 8.868 11.877 -6.285) 16.100 14.406 ( -6.869 -4.039 1.444) 8.099 14.691 ( 4.613 -4.417 -10.355) 12.166 15.035 ( -2.854 1.322 -0.162) 3.150 15.148 ( 1.462 -2.084 2.934) 3.884 15.322 ( -4.578 0.220 -3.223) 5.603 15.395 ( -0.625 -3.211 -1.176) 3.476 15.496 ( -0.004 3.925 2.632) 4.726 15.586 ( 5.747 3.678 -9.262) 11.504 15.738 ( 3.189 -2.285 -2.279) 4.537 15.810 ( -3.084 -5.531 3.021) 7.016 15.906 ( 8.560 -2.125 -0.368) 8.827 15.934 ( 5.605 -2.836 -6.054) 8.724 16.151 ( -2.226 1.611 -1.905) 3.344 16.210 ( 0.360 -0.008 3.369) 3.389 16.251 ( -1.687 3.356 2.580) 4.557 16.348 ( 3.002 1.767 -2.810) 4.475 16.594 ( -3.664 -2.352 3.953) 5.880 16.630 ( -2.236 -6.482 3.321) 7.618 16.795 ( -4.302 2.073 2.348) 5.321 16.920 ( -1.120 -0.274 -0.362) 1.208 17.242 ( -2.454 -0.144 -0.102) 2.460 17.247 ( -1.775 -0.141 -2.856) 3.365 17.354 ( -1.464 1.600 3.479) 4.100 17.438 ( 4.999 -1.284 1.297) 5.322 17.607 ( -4.416 -3.243 7.187) 9.037 17.706 ( -2.097 -3.677 -2.793) 5.071 19.557 ( -3.379 0.478 0.196) 3.418 19.572 ( -2.882 1.126 -1.067) 3.273 19.745 ( 0.392 0.214 7.077) 7.091 19.897 ( 2.791 -4.905 -5.832) 8.116 21.201 ( -2.003 2.656 -3.234) 4.640 21.305 ( 1.539 -0.599 -1.394) 2.162 21.424 ( -1.097 1.430 -0.653) 1.917 21.482 ( 1.646 -0.584 2.965) 3.441 22.270 ( -2.781 11.884 0.256) 12.207 22.304 ( -1.172 11.305 -0.204) 11.368 22.865 ( -4.052 -5.971 1.747) 7.424 22.896 ( -2.840 -4.980 -1.048) 5.828 24.402 ( 3.288 1.236 2.543) 4.336 24.445 ( 3.104 1.119 -1.318) 3.554 24.481 ( 5.388 -0.990 -1.754) 5.752 24.504 ( 3.831 -0.271 -1.630) 4.172 25.252 ( -3.926 8.297 2.076) 9.411 25.342 ( 0.495 7.101 -0.885) 7.173 25.839 ( -8.163 -10.245 1.556) 13.192 25.906 ( -4.625 -10.618 0.824) 11.611 26.959 ( -4.160 -0.146 2.420) 4.815 26.973 ( -3.938 -0.146 0.653) 3.995 27.258 ( -4.261 -0.573 -0.067) 4.300 27.274 ( -3.171 -1.529 2.731) 4.456 27.942 ( 0.123 3.721 6.131) 7.173 28.045 ( 0.841 -0.501 -2.413) 2.604 28.079 ( -0.441 0.903 2.366) 2.570 28.155 ( 2.871 0.222 -4.694) 5.507 28.728 ( -12.145 1.964 -1.378) 12.380 28.818 ( -6.196 -0.224 -0.670) 6.236 29.066 ( -0.781 -0.031 0.297) 0.836 29.069 ( -3.443 -1.262 -4.777) 6.023 29.327 ( 18.775 0.015 1.783) 18.859 29.430 ( 8.527 -2.117 0.524) 8.801 29.636 ( 10.001 -1.453 -1.359) 10.197 29.760 ( 15.930 -7.446 -6.821) 18.861 30.646 ( -0.460 0.523 3.575) 3.642 30.748 ( -1.716 -0.732 1.284) 2.265 30.994 ( 7.251 3.003 -1.501) 7.991 31.309 ( 9.923 -11.857 1.820) 15.568 31.893 ( -1.180 12.113 2.431) 12.411 32.004 ( 2.646 11.122 2.366) 11.675 32.290 ( 0.080 -4.188 1.185) 4.354 32.327 ( 0.574 -2.584 -3.367) 4.283 32.678 ( -1.733 5.144 -2.906) 6.157 32.708 ( 0.445 4.454 2.807) 5.283 32.982 ( -5.760 -1.262 0.764) 5.946 33.018 ( -3.918 -1.910 -0.124) 4.361 99.234 ( -0.150 0.409 0.886) 0.987 99.255 ( 0.564 -0.330 -0.886) 1.101 99.449 ( -2.423 1.204 0.114) 2.708 99.492 ( -0.646 -0.393 1.749) 1.905 102.316 ( -1.485 2.228 2.140) 3.427 102.339 ( -1.143 2.428 -0.184) 2.690 102.566 ( -3.239 -2.084 2.211) 4.441 102.674 ( -0.267 -5.356 0.391) 5.377 107.334 ( -0.373 0.864 -0.664) 1.152 107.361 ( 0.630 0.271 0.587) 0.902 107.387 ( -0.120 0.729 -1.290) 1.487 107.414 ( 1.190 0.146 1.108) 1.632 109.307 ( -0.170 0.055 -0.117) 0.214 109.313 ( 0.172 -0.204 -0.032) 0.269 109.346 ( 0.107 0.637 0.075) 0.650 109.380 ( 1.256 -0.702 -0.827) 1.660 ======================= Grid point 117 (61/78) ======================= q-point: ( 0.20 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 23.838 5.361 -1.291) 24.467 2.571 ( 14.157 10.380 -4.817) 18.203 2.747 ( 21.684 -2.051 -4.752) 22.293 2.805 ( 7.222 8.169 14.615) 18.234 3.023 ( 22.001 5.466 -16.025) 27.761 3.441 ( -2.160 -0.276 -5.349) 5.776 3.516 ( 0.050 -10.135 3.171) 10.619 3.724 ( 11.616 2.579 0.708) 11.920 3.783 ( 2.190 1.250 6.800) 7.252 3.910 ( -3.699 -0.317 0.769) 3.791 4.016 ( 8.419 -20.915 8.246) 24.006 4.294 ( 3.884 -12.302 1.052) 12.944 4.362 ( -5.831 4.030 -3.693) 7.993 4.717 ( 5.980 7.635 3.193) 10.210 4.818 ( 10.051 8.492 -17.249) 21.695 4.833 ( -2.516 -3.174 4.861) 6.328 5.086 ( 10.177 12.973 -6.854) 17.856 5.133 ( -1.521 6.551 1.160) 6.824 5.309 ( 0.916 4.560 -1.600) 4.918 5.369 ( -2.831 4.992 6.229) 8.470 5.417 ( -0.281 -0.985 2.203) 2.430 5.629 ( 1.589 8.422 0.476) 8.584 5.666 ( 2.704 18.155 0.867) 18.376 5.798 ( -5.030 -2.672 -3.940) 6.926 5.890 ( -2.450 2.825 5.569) 6.708 5.913 ( 7.898 -0.784 -3.650) 8.735 5.987 ( -2.633 -0.410 1.263) 2.949 6.200 ( 2.556 0.970 0.318) 2.753 6.283 ( -0.647 -2.952 -1.202) 3.253 6.323 ( -4.648 -1.293 3.976) 6.252 6.384 ( -1.787 -13.219 -1.359) 13.409 6.485 ( -6.372 -15.015 1.462) 16.377 6.711 ( 11.545 1.186 0.173) 11.607 6.735 ( 4.509 -9.544 0.559) 10.570 6.816 ( 9.848 -12.571 -4.004) 16.463 6.872 ( -0.861 -0.660 -4.128) 4.268 7.017 ( -5.512 -0.652 2.031) 5.910 7.059 ( -3.512 -2.583 2.162) 4.866 7.219 ( -5.579 2.305 0.279) 6.043 7.329 ( -2.404 -1.609 -7.832) 8.349 7.428 ( -2.105 3.647 2.255) 4.777 7.518 ( -8.415 -6.036 4.955) 11.480 7.586 ( -5.032 -2.949 1.950) 6.150 7.695 ( -2.790 5.930 -2.068) 6.873 7.786 ( -3.957 3.979 0.883) 5.681 7.881 ( 4.302 -5.464 1.398) 7.093 8.074 ( -7.849 -0.991 -4.536) 9.120 8.097 ( 4.552 -0.481 -1.783) 4.913 8.192 ( -2.666 -4.024 1.013) 4.932 8.275 ( -6.701 -0.634 -3.118) 7.418 8.402 ( 3.128 0.477 4.891) 5.825 8.476 ( -4.484 0.273 2.295) 5.045 8.549 ( -0.314 -5.735 0.497) 5.765 8.621 ( -4.118 -4.623 2.400) 6.640 8.798 ( -5.356 0.796 6.606) 8.542 8.951 ( -0.650 0.721 -2.496) 2.678 9.067 ( -0.522 3.079 -2.756) 4.165 9.139 ( 0.071 6.002 0.362) 6.013 9.208 ( 5.147 3.098 -0.235) 6.012 9.268 ( -3.761 2.624 -0.853) 4.664 9.360 ( -0.900 -0.569 5.047) 5.158 9.423 ( 1.725 -0.405 3.571) 3.986 9.486 ( -6.321 -0.107 -0.536) 6.344 9.589 ( -1.166 4.230 -3.270) 5.472 9.738 ( -1.014 1.123 -2.931) 3.299 9.841 ( 0.023 -1.776 2.056) 2.716 9.913 ( -1.558 -1.169 1.365) 2.379 9.988 ( -0.406 5.880 1.043) 5.985 10.141 ( -1.161 0.502 -1.045) 1.641 10.274 ( 1.872 -3.198 -5.143) 6.339 10.294 ( -4.584 -1.367 -0.286) 4.792 10.342 ( 1.924 -0.036 -1.813) 2.644 10.425 ( 0.018 2.821 -5.142) 5.865 10.513 ( -7.667 5.040 0.036) 9.175 10.655 ( 1.449 0.212 0.152) 1.472 10.749 ( 0.724 1.765 -1.274) 2.294 10.889 ( 1.368 -0.286 -1.461) 2.022 11.049 ( 2.246 6.037 -0.248) 6.446 11.058 ( 2.526 -4.545 2.611) 5.818 11.239 ( -3.311 -2.626 2.526) 4.924 11.324 ( 1.607 -4.516 -3.303) 5.821 11.348 ( 5.143 0.562 -2.764) 5.865 11.699 ( -0.258 1.273 4.252) 4.446 11.772 ( 0.945 8.198 -2.035) 8.500 11.939 ( -1.010 0.655 -5.580) 5.708 12.010 ( -0.587 -1.718 3.926) 4.325 12.101 ( -1.006 2.784 -2.274) 3.733 12.242 ( -1.848 -6.572 0.539) 6.848 12.265 ( 5.820 -3.188 -0.422) 6.650 12.384 ( 2.751 2.222 0.396) 3.558 12.448 ( 1.359 -2.047 0.067) 2.458 12.579 ( 3.003 -1.437 2.999) 4.480 12.708 ( -6.859 -2.362 -0.377) 7.264 12.814 ( -2.223 0.293 -2.949) 3.705 12.852 ( -2.841 -0.930 -6.593) 7.239 12.933 ( -2.019 -7.220 2.751) 7.986 13.044 ( -2.308 7.156 -0.330) 7.526 13.097 ( -3.183 1.629 4.133) 5.465 13.162 ( -3.367 0.487 -1.530) 3.731 13.355 ( 9.215 -2.620 0.569) 9.597 13.509 ( -5.120 3.248 -1.183) 6.178 13.576 ( -1.617 -0.356 0.206) 1.668 13.671 ( 0.146 3.813 3.743) 5.345 13.856 ( 4.358 -2.614 7.828) 9.333 14.041 ( 3.116 0.480 4.120) 5.188 14.152 ( 1.590 4.395 -0.331) 4.685 14.156 ( -1.152 -1.618 5.979) 6.300 14.207 ( -0.497 0.122 -3.562) 3.599 14.559 ( 10.734 2.392 1.559) 11.107 14.688 ( 5.030 -3.236 -10.687) 12.247 15.013 ( -0.197 4.612 1.141) 4.755 15.152 ( -1.618 1.106 -0.412) 2.003 15.225 ( -2.469 -0.255 -1.933) 3.145 15.383 ( 0.965 -6.072 -1.303) 6.284 15.491 ( -2.762 1.915 2.825) 4.391 15.545 ( -1.892 2.067 -8.995) 9.421 15.738 ( -1.610 -1.688 1.938) 3.033 15.796 ( -1.180 -1.590 -2.068) 2.863 15.978 ( 7.399 -2.368 -7.838) 11.036 16.036 ( 2.765 -4.876 -3.419) 6.566 16.143 ( 3.020 5.017 0.178) 5.859 16.259 ( -0.640 1.351 3.954) 4.227 16.281 ( 4.734 1.229 1.441) 5.099 16.372 ( 3.659 1.203 -5.085) 6.379 16.551 ( -3.625 0.318 2.448) 4.386 16.636 ( -0.369 -4.655 4.693) 6.620 16.745 ( -1.784 1.647 0.425) 2.465 16.885 ( -2.447 -0.906 2.226) 3.430 17.160 ( -4.756 1.412 -2.961) 5.778 17.172 ( -3.585 0.306 -1.364) 3.848 17.332 ( -3.600 3.008 2.965) 5.550 17.526 ( 1.710 1.795 0.796) 2.604 17.606 ( -0.966 -6.466 5.129) 8.310 17.680 ( -0.652 -4.107 2.938) 5.092 19.489 ( -4.322 0.836 0.372) 4.418 19.515 ( -1.660 -0.274 -0.164) 1.691 19.835 ( 1.438 -1.789 6.896) 7.268 19.870 ( -0.830 -3.190 -3.909) 5.114 21.182 ( 1.656 1.678 -0.516) 2.413 21.291 ( -0.173 -2.640 -1.889) 3.251 21.421 ( -0.465 3.219 0.973) 3.395 21.518 ( -0.228 -1.485 2.035) 2.529 22.196 ( -3.611 16.047 -0.921) 16.474 22.292 ( -1.924 7.659 2.247) 8.210 22.773 ( -4.513 -6.687 -1.228) 8.161 22.835 ( -4.642 -6.292 2.392) 8.177 24.498 ( 4.302 1.137 1.874) 4.829 24.515 ( 4.368 0.875 0.086) 4.455 24.571 ( 4.398 0.054 -1.525) 4.655 24.586 ( 6.838 -0.833 -2.465) 7.316 25.193 ( -3.661 6.978 2.059) 8.145 25.343 ( 0.593 5.949 -1.044) 6.069 25.668 ( -10.230 -8.228 0.875) 13.157 25.795 ( -7.040 -8.831 0.370) 11.300 26.870 ( -3.855 0.106 -2.657) 4.683 26.891 ( -5.717 -0.851 -0.528) 5.804 27.169 ( -4.261 1.224 0.227) 4.439 27.229 ( -3.868 -1.039 2.461) 4.701 27.969 ( -2.338 -0.829 -2.719) 3.681 28.005 ( -2.574 -0.930 0.670) 2.818 28.085 ( -0.749 1.873 3.015) 3.627 28.127 ( -1.048 -0.106 -2.647) 2.849 28.576 ( -3.275 5.319 1.766) 6.491 28.742 ( -3.350 -0.452 1.692) 3.781 28.981 ( -1.292 -0.708 -4.719) 4.943 29.028 ( -4.801 -1.809 2.062) 5.530 29.624 ( 12.123 0.934 0.657) 12.177 29.709 ( 17.154 -2.826 1.864) 17.485 29.844 ( 13.158 0.259 -3.879) 13.720 29.924 ( 9.799 -1.876 -8.931) 13.390 30.685 ( 0.099 0.936 5.824) 5.899 30.779 ( 4.557 -1.875 0.373) 4.942 31.203 ( 14.179 1.872 -4.413) 14.967 31.480 ( 6.413 -11.247 1.590) 13.044 31.906 ( 1.763 9.474 -0.335) 9.643 32.090 ( -0.506 6.355 9.951) 11.818 32.273 ( -0.271 -2.743 -3.400) 4.377 32.338 ( -0.386 -2.387 2.806) 3.704 32.631 ( -0.555 2.534 -1.741) 3.124 32.735 ( -0.019 2.985 2.098) 3.649 32.849 ( -7.528 -1.066 0.521) 7.621 32.940 ( -4.929 -1.171 1.493) 5.282 99.243 ( 0.176 0.309 1.038) 1.097 99.260 ( 0.612 -0.355 -0.479) 0.855 99.410 ( -1.851 1.542 0.110) 2.412 99.476 ( -2.144 -0.902 0.939) 2.509 102.299 ( -1.331 1.558 0.914) 2.244 102.327 ( -1.288 1.748 2.158) 3.061 102.532 ( -2.002 -0.943 1.000) 2.429 102.632 ( -3.623 -4.368 -1.061) 5.773 107.331 ( 0.395 0.384 -0.211) 0.590 107.362 ( 0.008 -0.721 -0.298) 0.780 107.398 ( 0.896 1.549 0.307) 1.815 107.440 ( 0.579 -0.066 0.727) 0.932 109.306 ( 0.187 0.163 0.089) 0.264 109.318 ( 0.351 -0.318 0.088) 0.482 109.354 ( 0.567 0.781 -0.009) 0.965 109.393 ( 0.889 -0.704 -0.987) 1.504 ======================= Grid point 118 (62/78) ======================= q-point: ( 0.30 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 16.878 7.599 -13.477) 22.896 2.861 ( 19.221 -0.900 8.710) 21.122 3.052 ( 19.568 -5.344 -1.701) 20.356 3.101 ( 12.555 -0.698 -7.794) 14.793 3.334 ( 21.393 3.287 -10.254) 23.950 3.494 ( 6.869 -2.412 2.903) 7.837 3.561 ( 3.983 6.207 4.232) 8.503 3.765 ( 0.098 1.298 -1.895) 2.299 3.939 ( 1.894 -3.020 1.750) 3.971 3.984 ( 13.432 7.840 -0.443) 15.559 4.203 ( 3.402 -11.381 9.358) 15.122 4.244 ( -5.248 0.417 -0.429) 5.282 4.440 ( 6.379 -9.350 1.199) 11.382 4.779 ( -5.369 -9.477 3.585) 11.467 4.845 ( 3.258 5.759 -1.218) 6.728 4.869 ( 8.341 9.595 -10.664) 16.594 5.122 ( 1.392 3.743 0.560) 4.032 5.215 ( 4.791 4.725 -5.291) 8.561 5.288 ( -5.910 5.164 4.112) 8.860 5.399 ( -0.549 9.550 5.073) 10.827 5.480 ( 4.251 -3.077 2.733) 5.917 5.598 ( -0.799 7.202 4.936) 8.767 5.694 ( -0.450 3.454 -2.663) 4.385 5.790 ( 2.101 6.894 0.479) 7.222 5.861 ( 4.866 3.075 3.017) 6.499 5.948 ( -3.507 0.010 4.931) 6.051 6.075 ( 1.157 3.194 -0.440) 3.426 6.153 ( -1.521 -2.566 -4.078) 5.053 6.249 ( -8.664 -7.436 -1.257) 11.486 6.283 ( 5.801 1.584 -0.794) 6.066 6.302 ( -4.951 -1.856 2.001) 5.654 6.424 ( -1.253 -14.304 0.776) 14.380 6.711 ( -5.053 2.649 -5.144) 7.682 6.810 ( -2.616 -4.078 1.220) 4.997 6.846 ( 0.618 -7.397 -2.978) 7.998 6.909 ( -3.314 2.581 -3.751) 5.632 6.980 ( 0.796 -2.806 -2.963) 4.158 6.999 ( 0.028 -4.638 4.858) 6.716 7.120 ( -4.385 2.372 1.922) 5.343 7.253 ( 0.446 -3.456 -3.633) 5.034 7.309 ( -12.010 -5.977 -3.400) 13.839 7.448 ( 3.231 1.286 1.678) 3.862 7.537 ( -5.437 6.168 -4.925) 9.584 7.601 ( 0.985 1.593 1.610) 2.470 7.746 ( -0.805 5.782 1.476) 6.021 7.834 ( -9.101 -6.046 -1.616) 11.045 7.963 ( 0.835 -3.828 -0.206) 3.923 8.154 ( 1.315 -3.276 -3.278) 4.817 8.165 ( 1.742 0.222 -1.216) 2.136 8.223 ( -0.311 -1.850 2.930) 3.479 8.394 ( -5.353 -4.129 3.441) 7.586 8.444 ( -3.640 10.155 4.168) 11.565 8.552 ( -0.045 -8.516 -0.959) 8.570 8.614 ( 0.083 -3.016 3.639) 4.727 8.804 ( 1.786 -5.133 2.616) 6.031 8.931 ( -2.682 0.313 -4.095) 4.905 9.018 ( -0.710 6.094 -1.578) 6.335 9.127 ( -0.902 4.329 -2.441) 5.050 9.186 ( -2.956 2.096 4.530) 5.801 9.242 ( -6.942 3.220 -2.170) 7.954 9.321 ( 4.168 1.385 -0.838) 4.471 9.469 ( 1.880 -3.648 1.194) 4.274 9.520 ( 0.848 -5.657 8.058) 9.882 9.583 ( -0.087 2.121 0.339) 2.149 9.669 ( -0.570 -2.993 -2.893) 4.201 9.811 ( -2.822 -0.344 -3.092) 4.200 9.854 ( -3.440 -8.007 -2.717) 9.129 9.997 ( -2.234 2.740 0.314) 3.549 10.074 ( -1.945 3.996 2.548) 5.123 10.259 ( -2.494 6.510 3.842) 7.960 10.281 ( 1.196 2.948 -2.970) 4.352 10.395 ( 5.310 2.886 -1.030) 6.131 10.425 ( 1.385 0.505 -1.228) 1.918 10.449 ( 4.155 -0.162 -0.994) 4.275 10.672 ( -0.569 1.200 3.546) 3.787 10.734 ( -0.070 -0.843 -2.553) 2.689 10.921 ( 1.766 0.976 -0.008) 2.018 11.058 ( -0.103 -0.374 0.690) 0.791 11.111 ( 0.756 4.074 -3.459) 5.397 11.198 ( -1.829 -0.313 3.747) 4.181 11.380 ( 3.278 -5.413 -0.295) 6.335 11.435 ( 4.420 -0.859 -1.332) 4.696 11.663 ( -2.556 0.868 -1.981) 3.348 11.771 ( -2.669 6.277 -2.787) 7.368 11.877 ( 1.218 -1.715 -2.990) 3.656 11.989 ( -3.617 2.708 3.693) 5.836 12.032 ( -3.525 3.872 -0.382) 5.250 12.178 ( -3.979 -0.665 -1.168) 4.200 12.325 ( -2.442 -3.327 2.251) 4.701 12.393 ( -2.869 -1.460 -0.052) 3.220 12.507 ( 6.177 -5.339 -2.501) 8.539 12.565 ( -5.154 -1.614 -1.755) 5.678 12.667 ( 0.804 -3.320 -1.811) 3.866 12.758 ( -2.000 -2.828 1.269) 3.689 12.815 ( -0.129 -2.187 1.875) 2.884 12.892 ( 0.873 1.210 -4.427) 4.671 12.966 ( -2.455 0.109 2.118) 3.244 13.079 ( -3.569 -2.347 -0.659) 4.322 13.176 ( 4.788 7.246 -1.140) 8.759 13.404 ( -3.243 2.195 -0.327) 3.930 13.516 ( 5.911 -4.939 0.498) 7.719 13.538 ( -0.020 0.962 1.160) 1.507 13.686 ( -0.555 4.194 1.660) 4.545 13.921 ( -0.815 -2.168 0.873) 2.475 14.082 ( -0.712 -0.323 -1.713) 1.883 14.152 ( 1.150 -3.346 3.696) 5.117 14.235 ( 3.377 4.788 1.044) 5.951 14.337 ( 7.440 3.074 6.694) 10.470 14.707 ( 3.693 -2.376 -5.423) 6.978 14.731 ( 4.679 -2.823 3.140) 6.302 15.028 ( 0.005 6.280 1.163) 6.387 15.130 ( 0.430 3.638 -1.507) 3.962 15.205 ( 0.728 -1.510 3.219) 3.629 15.379 ( -0.501 -4.409 -2.121) 4.918 15.415 ( -2.937 -1.312 -5.098) 6.028 15.474 ( -0.485 -2.877 0.049) 2.918 15.714 ( -1.913 2.833 -0.096) 3.420 15.734 ( -2.487 2.265 -2.070) 3.950 16.014 ( 0.957 -2.111 -4.854) 5.379 16.089 ( 8.260 -3.122 -4.323) 9.832 16.188 ( 1.002 2.088 -1.087) 2.558 16.284 ( -1.157 -1.629 5.075) 5.454 16.371 ( 5.576 3.181 -2.014) 6.728 16.418 ( 0.285 0.272 2.225) 2.260 16.517 ( 2.053 4.392 -3.553) 6.011 16.673 ( 0.066 -2.012 3.387) 3.940 16.749 ( 2.483 -0.409 -1.462) 2.910 16.884 ( -0.285 -1.264 3.590) 3.817 17.050 ( -5.041 2.934 1.028) 5.922 17.084 ( -4.688 0.355 -0.855) 4.778 17.281 ( -3.551 3.097 1.904) 5.082 17.510 ( -2.980 -0.516 -0.099) 3.026 17.633 ( -0.168 -4.251 2.274) 4.824 17.697 ( -0.507 -4.216 2.072) 4.725 19.409 ( -3.938 0.633 0.014) 3.989 19.487 ( -1.679 -2.281 -0.617) 2.899 19.810 ( -0.384 0.631 -2.487) 2.595 19.922 ( 0.695 -3.236 5.999) 6.852 21.230 ( 2.177 1.172 1.310) 2.798 21.291 ( 1.120 -2.635 0.388) 2.889 21.411 ( -1.060 2.332 0.306) 2.580 21.509 ( -1.792 -2.463 0.749) 3.136 22.127 ( -3.152 17.609 0.021) 17.889 22.259 ( -2.744 7.390 0.376) 7.891 22.693 ( -3.047 -7.837 -0.264) 8.413 22.763 ( -4.460 -7.298 1.673) 8.715 24.584 ( 3.286 0.867 1.300) 3.638 24.598 ( 3.192 0.134 1.501) 3.530 24.640 ( 3.830 1.017 -0.851) 4.053 24.688 ( 6.091 -0.748 -3.556) 7.093 25.155 ( -2.116 5.098 2.180) 5.934 25.352 ( 1.493 4.638 -1.547) 5.112 25.482 ( -9.304 -6.012 0.489) 11.088 25.660 ( -6.657 -6.240 -0.568) 9.142 26.759 ( -4.778 0.135 -4.468) 6.543 26.776 ( -3.097 -0.375 -4.486) 5.464 27.110 ( -2.747 1.409 1.571) 3.464 27.171 ( -3.802 -0.735 1.629) 4.201 27.866 ( -3.983 -0.753 -3.374) 5.274 27.906 ( -3.284 -2.302 -6.215) 7.397 28.118 ( -0.283 0.786 2.371) 2.514 28.142 ( 0.529 0.280 7.774) 7.797 28.572 ( -1.328 4.422 4.839) 6.688 28.694 ( -3.725 0.446 3.236) 4.955 28.926 ( -1.317 -1.335 -3.575) 4.037 28.938 ( -4.438 -1.480 -0.331) 4.690 29.863 ( 11.094 1.030 0.839) 11.174 29.929 ( 7.374 -1.716 -3.924) 8.528 30.036 ( 9.995 1.496 -3.611) 10.732 30.099 ( 12.032 -0.323 -0.747) 12.059 30.761 ( 3.116 2.108 4.012) 5.500 30.871 ( 4.919 -1.896 -1.770) 5.561 31.406 ( 10.212 -0.283 -3.982) 10.965 31.588 ( 3.475 -8.820 1.375) 9.579 31.954 ( 4.049 7.316 -1.178) 8.444 32.140 ( -2.419 5.122 9.156) 10.767 32.236 ( -0.646 -2.947 -2.666) 4.026 32.323 ( -3.596 -0.379 3.024) 4.714 32.639 ( 1.499 -1.997 0.552) 2.557 32.680 ( -6.508 -2.262 -0.338) 6.898 32.785 ( -0.301 3.353 2.447) 4.162 32.861 ( -3.652 -0.184 -0.752) 3.733 99.257 ( 0.361 0.167 1.190) 1.255 99.270 ( 0.625 -0.309 -0.104) 0.705 99.379 ( -1.337 1.276 -0.324) 1.876 99.433 ( -2.390 -0.741 -0.283) 2.518 102.286 ( -0.780 1.078 0.857) 1.583 102.322 ( -1.250 0.662 2.410) 2.794 102.501 ( -1.710 -0.836 -0.259) 1.921 102.541 ( -3.662 -1.884 -2.518) 4.827 107.343 ( 0.723 0.163 0.285) 0.794 107.366 ( 0.279 -0.688 0.475) 0.882 107.414 ( 0.627 1.170 -0.135) 1.334 107.448 ( 0.015 -0.139 -0.026) 0.142 109.314 ( 0.372 0.182 0.377) 0.560 109.326 ( 0.355 -0.230 0.182) 0.460 109.366 ( 0.530 0.606 0.193) 0.828 109.399 ( 0.683 -0.614 -0.996) 1.354 ======================= Grid point 119 (63/78) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 12.911 7.605 -1.591) 15.069 3.205 ( 8.225 -7.103 2.243) 11.097 3.315 ( 19.751 -6.310 -12.799) 24.367 3.408 ( 9.408 -1.573 -2.233) 9.797 3.475 ( 6.271 -4.003 2.918) 7.992 3.624 ( 6.335 -1.762 1.754) 6.806 3.776 ( 11.297 8.808 -0.681) 14.341 3.854 ( 10.387 8.142 -1.825) 13.323 3.970 ( 0.874 3.756 -1.147) 4.023 4.100 ( -4.802 1.588 -4.020) 6.461 4.250 ( -3.193 -1.023 9.907) 10.459 4.297 ( 4.987 8.658 2.190) 10.229 4.493 ( 6.327 -5.852 -3.804) 9.420 4.692 ( -2.782 -11.127 -0.544) 11.483 4.873 ( 3.867 0.441 -8.078) 8.967 4.961 ( 3.467 6.311 -3.260) 7.905 5.054 ( -6.267 1.709 2.830) 7.085 5.156 ( -7.229 -0.941 2.541) 7.720 5.279 ( 1.123 3.132 1.615) 3.698 5.408 ( -5.942 8.197 -1.241) 10.200 5.520 ( -0.069 -7.623 3.421) 8.356 5.663 ( 3.248 5.295 7.480) 9.723 5.735 ( -3.123 -2.119 0.433) 3.799 5.802 ( 6.201 3.687 5.730) 9.213 5.908 ( -3.443 -0.058 4.795) 5.903 5.968 ( 2.556 -6.364 -6.660) 9.559 6.028 ( -6.568 4.296 -0.667) 7.877 6.072 ( -3.947 -0.073 2.334) 4.586 6.207 ( -3.380 -2.795 0.650) 4.434 6.271 ( 4.124 2.754 0.563) 4.991 6.375 ( 3.632 -0.906 -3.404) 5.060 6.435 ( 6.051 1.797 0.627) 6.344 6.579 ( -2.396 -8.283 -3.886) 9.458 6.663 ( -9.325 -1.790 0.982) 9.546 6.812 ( 0.303 -3.847 -2.631) 4.670 6.844 ( 0.987 2.652 -2.354) 3.681 6.913 ( -5.873 -2.900 -2.655) 7.067 7.024 ( -4.540 -1.145 6.006) 7.616 7.078 ( -3.575 0.399 -6.642) 7.554 7.148 ( 3.073 -3.529 2.324) 5.225 7.289 ( 6.161 2.856 -2.149) 7.123 7.410 ( -2.713 3.983 -4.163) 6.368 7.533 ( 2.194 -1.586 -0.433) 2.742 7.675 ( 3.982 3.318 0.481) 5.206 7.692 ( -3.527 -5.571 -0.714) 6.632 7.732 ( -3.571 4.608 1.768) 6.092 8.009 ( 2.153 -1.007 -2.764) 3.645 8.028 ( -9.204 6.720 -0.546) 11.410 8.191 ( 2.333 -1.303 -2.509) 3.665 8.255 ( -2.873 -0.882 5.096) 5.916 8.376 ( 0.722 4.459 3.669) 5.819 8.391 ( 0.083 1.803 -0.092) 1.807 8.551 ( -0.022 -4.792 -1.043) 4.904 8.619 ( -2.914 -1.165 0.442) 3.169 8.743 ( -6.375 -1.238 -1.692) 6.711 8.921 ( 2.895 -8.213 -0.340) 8.715 8.971 ( -3.029 1.683 1.054) 3.623 9.072 ( -1.593 5.034 -3.159) 6.153 9.155 ( 0.330 -2.467 -2.604) 3.603 9.192 ( -3.206 -0.974 6.008) 6.879 9.405 ( 5.581 3.604 -1.259) 6.762 9.508 ( 0.099 -5.351 1.796) 5.645 9.526 ( -1.842 3.737 0.678) 4.222 9.605 ( 1.189 -5.835 2.686) 6.532 9.675 ( -2.096 -8.398 -4.752) 9.874 9.750 ( 1.105 -2.984 1.804) 3.658 9.786 ( -0.119 -3.507 -0.829) 3.605 9.929 ( -3.647 -4.051 -0.202) 5.455 10.127 ( 3.044 5.871 4.061) 7.761 10.230 ( -2.400 7.110 3.680) 8.358 10.276 ( 0.765 5.111 -1.696) 5.439 10.453 ( -0.633 -2.404 0.446) 2.525 10.517 ( 7.566 2.943 -3.232) 8.738 10.563 ( 6.083 0.747 0.930) 6.199 10.679 ( -0.136 3.290 4.069) 5.234 10.744 ( 1.176 0.973 1.547) 2.173 10.952 ( 1.152 2.199 1.066) 2.702 11.038 ( -3.306 1.573 -0.961) 3.785 11.076 ( -0.554 -1.783 -0.977) 2.108 11.191 ( -0.910 -0.344 -1.877) 2.115 11.386 ( -1.790 -1.792 -0.135) 2.536 11.472 ( 0.999 -4.481 -1.031) 4.705 11.616 ( -5.151 4.718 -5.147) 8.676 11.652 ( 0.389 3.953 -1.391) 4.209 11.931 ( 2.975 -2.263 -0.880) 3.840 11.956 ( -1.382 3.250 4.051) 5.374 12.004 ( 0.139 3.393 2.255) 4.076 12.082 ( -6.362 2.849 2.936) 7.564 12.247 ( -4.662 -5.002 -1.068) 6.921 12.293 ( -5.984 -3.635 -2.368) 7.391 12.492 ( -1.559 0.768 2.346) 2.920 12.589 ( 2.775 -2.179 -4.943) 6.073 12.643 ( 5.062 -4.995 -5.225) 8.824 12.715 ( -4.248 -3.334 -3.010) 6.182 12.790 ( -0.612 0.773 0.133) 0.995 12.924 ( 3.153 2.506 -1.007) 4.152 12.947 ( -4.745 -2.471 -7.914) 9.553 13.051 ( 3.838 -2.848 4.965) 6.892 13.257 ( 3.984 5.124 0.558) 6.514 13.405 ( 0.411 4.118 6.324) 7.558 13.579 ( 0.818 -5.369 -1.367) 5.600 13.616 ( 4.869 -3.083 3.865) 6.939 13.701 ( 0.257 2.565 1.308) 2.891 13.864 ( -3.102 -0.957 -2.918) 4.365 14.059 ( -0.296 1.518 -1.668) 2.275 14.143 ( -2.257 1.641 -3.544) 4.511 14.317 ( 3.413 1.300 3.645) 5.159 14.482 ( 1.825 1.241 2.436) 3.287 14.735 ( 1.438 -3.056 1.479) 3.687 14.800 ( -0.251 -3.446 4.796) 5.911 15.021 ( -0.756 5.041 1.047) 5.204 15.124 ( 0.123 5.476 -2.126) 5.876 15.286 ( 1.643 -0.772 4.471) 4.825 15.364 ( 0.071 -5.872 -0.598) 5.903 15.378 ( 2.126 -1.133 -0.685) 2.505 15.485 ( 2.694 -5.866 -1.161) 6.558 15.659 ( -1.841 2.994 -4.117) 5.414 15.676 ( -3.169 2.763 0.674) 4.258 16.012 ( 3.023 1.640 -3.527) 4.927 16.144 ( -2.982 4.097 1.207) 5.209 16.238 ( 8.991 -4.871 -6.390) 12.058 16.286 ( -3.608 -3.397 5.904) 7.708 16.401 ( -2.475 3.771 3.421) 5.661 16.473 ( 4.718 4.776 -2.359) 7.116 16.563 ( 5.131 1.475 -1.961) 5.688 16.715 ( 2.377 -2.046 0.202) 3.142 16.781 ( 2.419 1.118 -1.820) 3.227 16.915 ( -1.219 0.143 4.232) 4.406 16.964 ( -5.014 1.022 0.275) 5.125 17.017 ( -1.314 0.563 1.461) 2.044 17.240 ( -1.788 3.281 1.427) 4.000 17.425 ( -4.034 -0.491 -3.182) 5.161 17.634 ( -1.923 -3.880 3.085) 5.316 17.691 ( -0.168 -5.317 -1.154) 5.444 19.347 ( -2.561 0.437 0.347) 2.621 19.429 ( -2.367 -2.803 -2.986) 4.731 19.833 ( 2.952 2.006 1.451) 3.853 19.960 ( -1.002 -2.799 3.368) 4.492 21.272 ( 1.106 1.585 1.660) 2.548 21.330 ( 1.768 -2.444 0.545) 3.065 21.394 ( -0.682 0.404 0.559) 0.970 21.471 ( -2.127 -2.995 -0.101) 3.674 22.083 ( -1.569 16.776 0.781) 16.868 22.198 ( -2.839 8.734 -1.725) 9.344 22.654 ( -1.441 -8.674 1.091) 8.860 22.702 ( -2.557 -7.609 0.376) 8.036 24.644 ( 1.399 0.575 2.142) 2.622 24.657 ( 1.664 -0.388 1.577) 2.325 24.696 ( 2.417 1.426 -0.823) 2.925 24.750 ( 3.801 -0.582 -4.397) 5.841 25.149 ( -0.523 3.285 2.382) 4.091 25.319 ( -4.755 -0.823 -2.797) 5.578 25.390 ( 0.730 0.222 1.640) 1.809 25.542 ( -4.736 -3.440 -1.061) 5.949 26.651 ( -2.389 0.735 -4.026) 4.739 26.687 ( -2.042 -0.567 -4.713) 5.168 27.085 ( -1.369 0.808 1.622) 2.271 27.119 ( -2.685 -0.344 1.033) 2.898 27.781 ( -2.637 -0.176 -1.531) 3.054 27.813 ( -1.599 -1.425 -4.472) 4.959 28.150 ( 1.502 -0.274 2.475) 2.908 28.197 ( -1.163 -2.011 5.739) 6.191 28.595 ( -1.057 2.387 6.313) 6.832 28.666 ( -2.569 1.027 4.964) 5.683 28.842 ( -3.943 0.294 -0.454) 3.980 28.894 ( 1.245 -1.061 -6.305) 6.513 29.999 ( 4.590 0.920 -2.277) 5.206 30.053 ( 6.438 -1.334 0.009) 6.575 30.161 ( 5.287 2.781 -1.495) 6.158 30.263 ( 4.965 -1.004 -0.551) 5.096 30.847 ( 2.432 2.083 2.587) 4.116 30.930 ( 3.675 -0.919 -3.578) 5.210 31.528 ( 5.549 -1.048 -2.216) 6.067 31.622 ( -0.832 -5.495 0.571) 5.587 32.043 ( 5.640 3.702 -0.880) 6.803 32.147 ( -3.210 5.020 5.080) 7.830 32.218 ( 0.149 -3.251 0.028) 3.255 32.283 ( -2.258 -0.595 2.145) 3.171 32.574 ( -3.795 0.622 1.485) 4.123 32.679 ( 1.432 -3.217 2.031) 4.065 32.780 ( -2.962 1.017 -3.219) 4.491 32.798 ( -0.226 0.567 -0.211) 0.646 99.275 ( 0.323 0.059 1.357) 1.396 99.282 ( 0.668 -0.252 0.179) 0.736 99.354 ( -0.771 0.854 -0.638) 1.316 99.387 ( -1.784 -0.396 -0.946) 2.057 102.285 ( -0.096 0.559 0.983) 1.135 102.317 ( -1.387 -0.310 2.101) 2.536 102.459 ( -1.134 -0.227 -2.279) 2.556 102.475 ( -1.649 -0.391 -1.155) 2.051 107.361 ( 0.671 0.065 0.738) 1.000 107.377 ( 0.281 -0.594 0.870) 1.090 107.419 ( 0.294 0.809 -0.575) 1.035 107.442 ( -0.281 -0.094 -0.664) 0.727 109.324 ( 0.238 0.183 0.443) 0.535 109.333 ( 0.216 -0.056 0.097) 0.243 109.376 ( 0.228 0.357 0.476) 0.637 109.402 ( 0.487 -0.533 -0.989) 1.224 ======================= Grid point 120 (64/78) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( -4.660 -2.359 2.284) 5.700 3.182 ( 3.044 1.466 0.809) 3.474 3.410 ( -7.360 -2.978 4.667) 9.210 3.479 ( -8.343 -7.524 0.045) 11.235 3.587 ( -8.826 6.871 4.404) 12.021 3.748 ( 23.862 2.758 -11.002) 26.420 3.810 ( -3.143 1.438 -0.459) 3.486 3.972 ( 3.627 -2.472 -11.838) 12.625 4.098 ( 2.499 1.739 2.405) 3.880 4.127 ( 5.376 9.455 3.449) 11.411 4.172 ( -2.081 -8.317 -2.603) 8.960 4.246 ( 5.729 9.971 -5.102) 12.581 4.620 ( -1.184 -6.427 5.036) 8.250 4.699 ( -3.271 -5.374 -1.813) 6.548 4.850 ( -18.241 3.186 3.829) 18.908 4.919 ( 10.898 10.542 -3.170) 15.491 4.992 ( 1.418 6.034 1.484) 6.374 5.084 ( 2.305 2.164 -5.940) 6.729 5.265 ( -1.332 -1.517 2.840) 3.485 5.321 ( 1.142 2.205 -1.517) 2.910 5.601 ( 2.908 -8.127 4.072) 9.544 5.652 ( -6.181 -3.790 -0.895) 7.306 5.773 ( -0.422 5.778 7.000) 9.086 5.865 ( -5.140 7.099 2.813) 9.205 5.900 ( -0.796 -4.216 3.540) 5.562 5.965 ( 2.684 -1.961 2.150) 3.959 5.997 ( 4.111 -5.401 -2.339) 7.179 6.041 ( 1.593 -0.557 -1.410) 2.199 6.192 ( -5.632 -3.348 0.594) 6.579 6.249 ( 6.504 -0.824 -2.825) 7.139 6.402 ( 2.399 4.016 4.751) 6.668 6.503 ( -7.428 -1.502 2.807) 8.082 6.555 ( 4.799 -6.627 -3.631) 8.952 6.607 ( -3.440 3.373 -9.678) 10.811 6.742 ( 4.962 -3.094 3.054) 6.598 6.810 ( -2.785 -2.783 -0.839) 4.026 6.898 ( -4.547 -3.879 1.535) 6.171 7.025 ( 0.520 -0.609 -6.122) 6.174 7.039 ( 1.305 -6.699 6.959) 9.747 7.190 ( 2.357 -8.465 -3.894) 9.611 7.354 ( 0.546 8.948 -2.207) 9.232 7.401 ( 3.299 4.574 -3.008) 6.392 7.555 ( 2.104 6.182 1.558) 6.714 7.592 ( -5.625 7.499 -2.006) 9.586 7.671 ( 0.219 0.143 2.033) 2.049 7.740 ( 2.251 1.673 -2.346) 3.657 7.890 ( -3.560 5.180 5.375) 8.271 8.011 ( -0.810 5.207 -4.070) 6.658 8.177 ( -2.958 0.341 3.165) 4.345 8.279 ( 3.304 -2.273 -2.281) 4.614 8.417 ( 0.916 1.636 1.626) 2.482 8.441 ( 0.652 0.680 -0.724) 1.188 8.491 ( -3.851 0.571 -0.608) 3.940 8.538 ( 2.374 1.283 -3.069) 4.087 8.735 ( 0.643 -2.810 7.063) 7.628 8.898 ( -0.520 -0.082 -5.345) 5.371 8.974 ( 0.616 -7.937 1.165) 8.046 9.045 ( 1.557 -0.982 -2.970) 3.494 9.152 ( -3.197 -2.664 2.829) 5.032 9.184 ( 1.476 -4.967 0.674) 5.226 9.465 ( -4.336 -2.924 1.423) 5.420 9.498 ( 2.064 4.240 -2.082) 5.154 9.533 ( 2.766 -1.953 -0.032) 3.386 9.550 ( -1.282 -0.827 -2.210) 2.685 9.688 ( -0.934 -5.673 4.959) 7.592 9.753 ( -2.287 -2.888 -0.503) 3.718 9.823 ( 1.677 -3.025 2.701) 4.388 9.882 ( 0.427 -4.138 -1.884) 4.567 10.215 ( -2.590 8.134 1.827) 8.730 10.232 ( 4.748 2.159 0.858) 5.286 10.309 ( 0.958 -1.435 3.602) 3.994 10.401 ( -1.081 -4.255 -2.489) 5.047 10.616 ( -0.793 5.076 -3.869) 6.431 10.623 ( 5.371 3.661 -1.839) 6.756 10.736 ( 0.223 4.624 4.324) 6.335 10.772 ( 0.246 2.983 1.658) 3.421 10.952 ( -2.470 1.988 -0.458) 3.203 10.987 ( 2.303 1.822 -1.818) 3.454 11.062 ( -1.669 -3.211 2.921) 4.651 11.143 ( -0.820 -1.909 -3.887) 4.408 11.384 ( 1.897 1.809 1.457) 2.999 11.437 ( -2.848 -2.154 -2.269) 4.231 11.551 ( 1.006 3.591 1.666) 4.085 11.618 ( -3.083 2.880 -2.528) 4.918 11.942 ( -5.348 -0.581 4.537) 7.037 11.978 ( 0.647 -1.153 1.625) 2.095 12.049 ( 2.641 0.565 5.367) 6.009 12.076 ( 2.949 0.709 0.809) 3.139 12.168 ( -2.972 -2.708 -4.720) 6.200 12.178 ( 1.923 -2.107 -3.899) 4.831 12.523 ( 0.515 1.501 4.818) 5.073 12.594 ( -0.582 -0.052 -3.849) 3.893 12.628 ( 3.897 0.524 -4.682) 6.115 12.713 ( 2.117 -4.971 -7.886) 9.560 12.741 ( -2.423 -2.849 -0.293) 3.751 12.803 ( -1.349 -4.369 -5.187) 6.915 13.002 ( 2.133 2.973 3.657) 5.173 13.097 ( 0.029 3.049 -3.047) 4.310 13.356 ( 2.620 -2.375 7.298) 8.109 13.495 ( 0.318 0.610 1.115) 1.310 13.522 ( -1.629 -0.004 1.640) 2.312 13.661 ( -3.216 2.749 -5.130) 6.650 13.736 ( 1.528 -4.661 5.522) 7.386 13.814 ( 0.047 -1.785 -1.131) 2.114 14.031 ( -2.365 3.855 0.114) 4.525 14.066 ( -0.751 3.510 -3.136) 4.766 14.415 ( 3.511 -0.504 3.222) 4.792 14.459 ( -3.181 0.376 -0.685) 3.276 14.756 ( -3.461 -3.013 6.143) 7.668 14.839 ( 3.277 -3.785 -0.992) 5.104 15.039 ( 0.046 4.370 2.852) 5.219 15.105 ( 0.712 4.644 -3.341) 5.765 15.322 ( -0.857 -2.549 2.989) 4.021 15.368 ( -0.746 -2.772 -0.908) 3.011 15.400 ( 0.299 -1.609 3.676) 4.024 15.525 ( -1.850 -5.175 -1.590) 5.721 15.600 ( -1.115 3.137 -1.161) 3.526 15.653 ( 3.944 -0.428 -2.700) 4.799 16.044 ( -3.158 2.989 0.828) 4.426 16.087 ( 2.176 4.695 -2.548) 5.768 16.235 ( -6.959 -3.229 5.924) 9.693 16.337 ( 3.501 -1.195 0.339) 3.715 16.405 ( 1.593 3.470 -1.425) 4.076 16.490 ( 2.305 5.882 -5.268) 8.226 16.673 ( 3.611 -3.505 1.478) 5.245 16.709 ( -2.911 -2.030 -1.546) 3.871 16.806 ( -3.029 3.912 3.111) 5.845 16.877 ( 3.542 4.353 -3.471) 6.598 16.953 ( -0.881 -2.277 4.685) 5.283 17.038 ( 3.537 -1.693 -2.888) 4.870 17.251 ( 1.476 3.697 2.601) 4.755 17.324 ( -2.383 1.175 -4.565) 5.282 17.613 ( -3.594 -4.102 4.814) 7.275 17.689 ( 1.795 -6.842 -2.456) 7.488 19.325 ( -0.301 -0.112 1.375) 1.412 19.371 ( -0.552 -1.812 -2.840) 3.414 19.920 ( 3.928 0.275 2.079) 4.453 19.939 ( -2.756 -0.426 0.533) 2.839 21.306 ( 0.855 1.165 1.647) 2.191 21.344 ( 0.361 -0.303 -1.879) 1.937 21.407 ( 0.652 -2.077 2.004) 2.959 21.434 ( -1.276 -3.195 -0.523) 3.480 22.088 ( 0.939 13.890 1.880) 14.048 22.135 ( -1.359 11.487 -2.529) 11.840 22.647 ( -1.036 -8.586 2.089) 8.897 22.682 ( 1.022 -7.885 -1.083) 8.025 24.673 ( -0.822 0.287 3.073) 3.194 24.684 ( -0.399 -0.219 1.428) 1.499 24.713 ( 0.551 1.332 -1.449) 2.044 24.762 ( 1.552 -0.555 -4.733) 5.012 25.176 ( 0.874 1.906 3.108) 3.749 25.229 ( -2.444 0.312 -1.632) 2.956 25.436 ( 2.614 -0.747 0.936) 2.876 25.465 ( -2.078 -1.350 -1.547) 2.921 26.603 ( -0.265 0.497 -1.442) 1.548 26.625 ( -0.750 -0.254 -3.341) 3.433 27.086 ( 0.182 0.239 1.301) 1.336 27.091 ( -0.878 0.115 0.767) 1.172 27.742 ( -0.817 0.082 0.079) 0.825 27.771 ( 0.295 -0.976 -2.669) 2.857 28.190 ( -2.367 -1.563 3.193) 4.271 28.217 ( 3.042 -2.251 0.728) 3.854 28.634 ( -0.678 1.231 6.156) 6.315 28.681 ( -0.878 0.199 6.448) 6.510 28.781 ( -1.228 2.741 -2.583) 3.961 28.878 ( 3.254 -1.021 -7.009) 7.795 30.044 ( 0.319 0.723 1.014) 1.285 30.090 ( -1.349 -1.091 -2.977) 3.445 30.237 ( 2.443 1.716 1.799) 3.485 30.283 ( -1.284 -0.054 -2.298) 2.633 30.883 ( -0.872 1.927 2.302) 3.126 30.950 ( 1.519 -0.416 -4.025) 4.322 31.577 ( -3.391 -2.222 0.941) 4.162 31.595 ( 2.301 -2.542 -0.999) 3.572 32.092 ( -3.730 2.960 3.095) 5.679 32.145 ( 3.653 2.330 -1.719) 4.662 32.241 ( 0.276 -2.556 2.000) 3.258 32.267 ( 0.679 -2.234 -0.547) 2.398 32.586 ( 2.078 2.925 4.403) 5.680 32.688 ( -2.509 2.041 -4.854) 5.833 32.728 ( 1.609 -2.489 2.400) 3.813 32.775 ( -1.220 -1.154 -1.849) 2.497 99.288 ( -0.259 0.162 1.100) 1.142 99.298 ( 0.771 -0.254 0.196) 0.836 99.343 ( 0.224 0.326 -0.234) 0.460 99.351 ( -1.013 -0.011 -0.971) 1.403 102.301 ( 0.388 -0.069 1.288) 1.347 102.303 ( -0.958 -0.087 1.151) 1.500 102.440 ( -1.038 0.064 -1.023) 1.458 102.444 ( 1.073 -0.077 -1.357) 1.732 107.378 ( 0.205 -0.019 0.950) 0.972 107.388 ( 0.105 -0.546 0.405) 0.688 107.417 ( -0.004 0.626 -0.243) 0.671 107.429 ( -0.239 0.032 -0.963) 0.993 109.330 ( 0.023 0.200 0.377) 0.427 109.336 ( 0.044 0.084 -0.094) 0.133 109.382 ( -0.166 0.147 0.695) 0.729 109.401 ( 0.212 -0.476 -1.004) 1.131 ======================= Grid point 121 (65/78) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -27.589 9.640 2.889) 29.367 2.973 ( -17.655 -2.926 9.993) 20.497 3.187 ( -13.286 -5.989 3.422) 14.970 3.397 ( -3.885 -3.746 0.745) 5.448 3.529 ( -9.498 -4.259 0.253) 10.412 3.611 ( -5.884 0.489 -3.248) 6.738 3.796 ( -12.937 7.209 -1.541) 14.890 3.960 ( -7.633 -3.573 -7.068) 10.999 4.063 ( 1.203 6.911 -4.632) 8.406 4.092 ( 13.630 1.438 -7.196) 15.480 4.393 ( 10.765 -5.679 0.716) 12.192 4.444 ( -0.544 7.569 -6.580) 10.044 4.450 ( -1.723 3.882 -7.454) 8.579 4.617 ( 1.542 -4.946 6.828) 8.571 4.705 ( -3.001 -6.854 6.390) 9.840 4.899 ( -16.161 10.962 2.850) 19.735 5.069 ( 7.068 3.511 0.934) 7.947 5.205 ( 10.363 2.670 -0.648) 10.721 5.279 ( -5.948 6.734 0.290) 8.990 5.348 ( 3.775 2.896 1.042) 4.871 5.565 ( -0.118 -4.060 -0.510) 4.094 5.668 ( -0.421 -7.419 5.099) 9.012 5.750 ( -2.462 7.370 -1.034) 7.839 5.814 ( -3.933 4.074 4.385) 7.162 5.888 ( -3.067 -1.002 5.450) 6.333 5.993 ( 3.932 -3.403 -6.893) 8.634 6.100 ( 0.130 -4.191 2.373) 4.818 6.115 ( 4.096 1.549 -0.631) 4.424 6.152 ( 4.932 -6.450 -2.148) 8.399 6.303 ( 0.025 -0.791 -1.943) 2.098 6.421 ( -2.317 2.531 -2.659) 4.341 6.489 ( 4.927 -9.093 -0.253) 10.345 6.531 ( 1.675 2.249 -2.156) 3.537 6.648 ( 1.849 -7.955 0.140) 8.168 6.742 ( -0.565 -3.079 0.834) 3.239 6.796 ( 2.063 -4.163 2.521) 5.286 6.878 ( 3.027 -1.121 -0.504) 3.267 6.933 ( -0.908 -0.525 4.762) 4.876 7.129 ( -0.124 4.787 -2.175) 5.260 7.197 ( 1.408 -1.651 -3.299) 3.948 7.269 ( -4.181 5.772 -1.092) 7.210 7.445 ( 5.608 -1.614 -5.249) 7.849 7.536 ( 0.230 3.153 -1.430) 3.470 7.593 ( -3.982 6.310 4.878) 8.914 7.736 ( 3.469 -3.347 -3.068) 5.714 7.780 ( 4.552 5.097 -1.068) 6.917 7.906 ( -0.535 -0.828 6.150) 6.229 7.984 ( -1.955 3.592 5.347) 6.732 8.139 ( -1.902 1.961 0.453) 2.770 8.293 ( 1.431 0.541 -0.559) 1.629 8.392 ( -2.502 0.087 -0.207) 2.512 8.465 ( 3.415 3.178 -2.813) 5.448 8.530 ( 4.665 -3.054 3.296) 6.477 8.586 ( 2.391 -0.628 -2.320) 3.390 8.815 ( 0.673 -1.192 4.240) 4.455 8.849 ( 1.407 -1.834 -3.546) 4.233 9.022 ( 3.698 -1.322 -0.603) 3.974 9.076 ( 3.368 -2.028 -2.145) 4.478 9.104 ( -1.831 -3.805 0.302) 4.233 9.224 ( 1.207 -4.008 1.958) 4.621 9.362 ( -6.317 -0.021 1.633) 6.524 9.525 ( 0.700 0.754 -0.435) 1.117 9.540 ( 0.331 4.094 0.199) 4.112 9.574 ( 0.947 -8.007 0.628) 8.088 9.676 ( 0.063 -4.413 -0.942) 4.512 9.729 ( -1.835 -1.460 4.403) 4.988 9.778 ( -4.554 -2.042 -0.382) 5.006 9.966 ( 6.825 -2.410 -2.009) 7.511 10.178 ( -1.316 6.308 0.027) 6.444 10.283 ( -0.887 4.731 -1.906) 5.177 10.302 ( 1.269 -1.270 0.263) 1.815 10.427 ( -0.584 -1.809 0.824) 2.072 10.500 ( -3.073 3.718 -6.879) 8.402 10.642 ( -2.221 0.555 -1.257) 2.612 10.731 ( -2.894 4.242 0.061) 5.136 10.784 ( 1.115 0.759 -2.371) 2.728 10.938 ( -0.439 3.576 0.803) 3.691 10.994 ( -0.810 2.902 0.227) 3.022 11.099 ( 1.556 -0.461 -0.474) 1.690 11.132 ( 2.813 -2.092 3.313) 4.824 11.392 ( 1.730 -4.076 -0.135) 4.430 11.459 ( -1.444 -3.221 0.460) 3.560 11.546 ( 2.176 4.693 0.634) 5.211 11.608 ( 0.926 4.080 2.000) 4.637 11.865 ( -5.229 0.685 4.524) 6.948 11.987 ( -0.897 -0.829 1.287) 1.775 12.087 ( 0.600 0.451 -3.911) 3.982 12.110 ( 2.630 1.142 -2.250) 3.644 12.214 ( 7.151 -1.697 3.047) 7.956 12.280 ( 7.392 -0.576 0.025) 7.414 12.555 ( 0.061 -1.231 1.650) 2.059 12.569 ( -0.159 0.270 -3.949) 3.962 12.618 ( -1.655 -3.402 -1.211) 3.972 12.645 ( 0.745 -1.430 -4.184) 4.484 12.793 ( 7.367 -0.011 1.793) 7.582 12.827 ( 3.192 -6.666 -0.719) 7.426 12.990 ( -2.333 2.098 -3.440) 4.657 13.085 ( 0.134 2.089 -0.452) 2.141 13.333 ( -6.435 -1.925 -3.959) 7.796 13.469 ( 0.030 -3.113 3.511) 4.692 13.549 ( -3.123 2.625 -3.518) 5.387 13.623 ( 1.404 3.200 8.600) 9.283 13.702 ( -5.278 -1.620 -1.882) 5.833 13.817 ( -0.169 -4.871 -0.106) 4.875 14.009 ( -0.862 4.023 2.979) 5.080 14.072 ( 1.401 3.942 1.595) 4.477 14.385 ( -2.675 3.102 -2.388) 4.741 14.495 ( 1.450 0.073 1.869) 2.367 14.721 ( -4.305 -1.469 3.637) 5.824 14.890 ( 2.435 -7.048 -2.419) 7.840 15.034 ( -1.438 4.451 0.718) 4.733 15.103 ( 0.869 4.477 -1.994) 4.977 15.289 ( -3.931 -3.089 2.629) 5.648 15.365 ( -0.744 -1.835 0.511) 2.045 15.389 ( -5.933 -4.933 3.047) 8.296 15.445 ( -0.989 -2.214 -2.796) 3.701 15.611 ( 2.893 3.934 0.594) 4.919 15.724 ( 4.223 0.203 -3.219) 5.313 15.949 ( -5.073 0.715 2.024) 5.509 16.109 ( -7.315 -4.057 4.133) 9.330 16.162 ( 1.626 6.572 -0.126) 6.771 16.387 ( 0.992 1.792 0.805) 2.200 16.404 ( -0.559 4.980 -0.985) 5.107 16.508 ( 4.066 2.887 -5.272) 7.257 16.561 ( -8.851 0.550 -1.287) 8.961 16.723 ( 0.789 -5.011 0.372) 5.086 16.769 ( -1.166 -0.789 -0.581) 1.523 16.962 ( 0.013 -4.406 -0.405) 4.425 16.982 ( 7.250 5.504 -2.008) 9.321 17.076 ( 2.171 -0.091 -2.792) 3.537 17.276 ( 0.816 2.675 -2.485) 3.742 17.344 ( 4.555 3.484 4.041) 7.015 17.598 ( -1.588 -5.039 4.648) 7.036 17.714 ( 2.277 -6.587 -1.311) 7.091 19.352 ( 1.488 -1.164 1.293) 2.290 19.376 ( 2.636 -1.250 -0.062) 2.917 19.870 ( -3.547 2.481 -1.353) 4.535 20.002 ( 3.319 -2.397 -0.275) 4.104 21.322 ( -0.136 0.616 -1.616) 1.735 21.330 ( 0.177 0.355 -0.705) 0.808 21.404 ( -0.854 -2.050 -0.045) 2.221 21.455 ( 2.085 -2.654 1.478) 3.685 22.105 ( 0.638 14.364 -1.150) 14.425 22.156 ( 3.736 11.244 1.757) 11.978 22.650 ( 0.172 -7.880 1.144) 7.965 22.721 ( 3.698 -8.479 -0.911) 9.295 24.652 ( -3.236 0.175 1.430) 3.542 24.668 ( -3.018 0.148 2.258) 3.772 24.697 ( -1.039 1.155 -1.501) 2.160 24.737 ( -0.035 -0.432 -4.254) 4.276 25.195 ( 0.189 2.091 -1.743) 2.729 25.231 ( 1.150 2.008 4.785) 5.315 25.441 ( 1.876 -1.635 -2.641) 3.628 25.508 ( 3.748 -3.104 1.888) 5.220 26.607 ( 0.823 0.252 -0.209) 0.886 26.615 ( 1.322 0.005 1.252) 1.821 27.095 ( 0.689 0.627 0.659) 1.142 27.118 ( 2.007 -0.182 1.046) 2.271 27.749 ( 0.798 -0.202 1.543) 1.749 27.777 ( 1.973 -1.203 -1.121) 2.568 28.161 ( -1.927 0.933 1.148) 2.429 28.280 ( 3.124 -3.774 -1.746) 5.201 28.667 ( -0.281 1.510 4.320) 4.585 28.720 ( 0.938 1.496 -1.044) 2.051 28.758 ( -0.015 2.190 2.638) 3.429 28.912 ( 6.076 -2.128 -6.075) 8.852 29.986 ( -6.906 0.321 -1.137) 7.006 30.013 ( -5.540 -0.855 2.685) 6.216 30.185 ( -6.439 2.119 -2.989) 7.408 30.251 ( -2.874 -0.269 0.556) 2.940 30.864 ( -2.823 1.396 2.632) 4.104 30.919 ( -1.055 -0.403 -4.060) 4.214 31.488 ( -6.713 0.050 1.606) 6.903 31.623 ( 0.385 -5.407 0.122) 5.422 32.019 ( -5.489 3.273 1.508) 6.566 32.188 ( 0.840 -0.324 0.327) 0.958 32.252 ( 2.789 -0.501 -1.931) 3.429 32.321 ( 3.674 -0.318 -0.878) 3.791 32.622 ( 0.517 1.202 -2.943) 3.221 32.695 ( 3.581 1.818 3.660) 5.434 32.732 ( -0.195 -1.792 -2.117) 2.780 32.781 ( 1.853 -0.791 1.661) 2.611 99.282 ( -0.824 0.408 0.317) 0.972 99.306 ( 0.140 -0.466 -1.244) 1.336 99.339 ( 0.314 0.617 0.512) 0.861 99.363 ( 1.411 -0.252 1.019) 1.759 102.289 ( -0.716 0.856 0.729) 1.333 102.339 ( 1.934 -0.963 1.017) 2.388 102.420 ( -0.326 0.830 0.064) 0.894 102.470 ( 2.201 -0.967 -0.644) 2.488 107.377 ( -0.770 -0.113 -0.439) 0.894 107.385 ( -0.327 -0.244 0.216) 0.462 107.417 ( -0.087 0.349 -0.386) 0.528 107.426 ( 0.475 0.182 0.504) 0.716 109.331 ( -0.157 0.224 0.245) 0.367 109.333 ( -0.145 0.183 -0.323) 0.398 109.381 ( -0.517 -0.046 0.872) 1.015 109.393 ( -0.146 -0.431 -1.039) 1.135 ======================= Grid point 122 (66/78) ======================= q-point: (-0.30 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -31.972 10.577 15.410) 37.035 2.702 ( -27.578 1.004 15.666) 31.733 2.988 ( -3.228 -6.854 -0.135) 7.577 3.039 ( -23.013 -11.680 0.617) 25.814 3.302 ( -15.707 1.895 -6.172) 16.982 3.538 ( -10.058 -6.848 -1.226) 12.230 3.659 ( 7.332 3.916 2.261) 8.614 3.820 ( -0.038 4.184 -5.654) 7.034 4.050 ( 0.200 7.053 -7.674) 10.425 4.101 ( -11.973 3.412 -10.752) 16.449 4.201 ( -9.356 4.247 3.929) 11.001 4.408 ( -5.993 2.044 -2.836) 6.938 4.474 ( -2.334 -1.915 -3.586) 4.688 4.621 ( -3.338 9.681 -2.316) 10.499 4.749 ( 3.380 -3.149 7.183) 8.541 4.853 ( 11.003 -7.976 -0.687) 13.607 5.093 ( -12.300 7.611 3.875) 14.974 5.145 ( -0.445 4.412 1.156) 4.583 5.381 ( 3.709 -3.690 -3.273) 6.171 5.448 ( 5.133 13.818 0.033) 14.740 5.494 ( -3.483 3.053 0.006) 4.632 5.651 ( 0.243 -4.557 1.761) 4.892 5.729 ( -2.232 0.912 -2.132) 3.218 5.795 ( -4.272 0.789 6.127) 7.511 5.899 ( 0.909 -2.882 -0.071) 3.023 6.025 ( 3.939 0.104 -7.647) 8.603 6.086 ( 2.430 0.881 -0.988) 2.767 6.110 ( -2.250 -1.037 1.885) 3.113 6.228 ( 0.988 -7.301 0.072) 7.368 6.337 ( 4.179 0.745 -2.043) 4.711 6.364 ( 2.324 2.775 -9.645) 10.302 6.480 ( -0.482 -10.641 2.096) 10.856 6.590 ( 3.110 -4.097 0.580) 5.176 6.755 ( -2.156 -4.740 3.110) 6.066 6.807 ( 1.785 -2.968 3.204) 4.718 6.839 ( 3.771 -7.846 1.334) 8.807 6.929 ( 5.427 -0.110 0.507) 5.452 7.021 ( -5.047 8.542 4.177) 10.766 7.130 ( 8.991 -5.560 2.977) 10.982 7.224 ( 5.958 1.247 -6.042) 8.576 7.268 ( 4.921 0.027 -0.115) 4.923 7.499 ( 2.654 1.017 -3.282) 4.341 7.535 ( -2.585 2.363 5.657) 6.654 7.541 ( 2.936 4.488 -3.329) 6.312 7.775 ( 1.204 4.026 -1.632) 4.508 7.852 ( 5.969 -0.549 -1.458) 6.169 7.914 ( -2.826 -6.256 4.301) 8.101 8.040 ( 0.671 -0.511 8.207) 8.250 8.125 ( -1.151 1.259 2.033) 2.654 8.305 ( -0.388 -5.202 -1.754) 5.503 8.368 ( 0.630 5.011 1.994) 5.430 8.515 ( 2.972 2.228 -2.969) 4.755 8.560 ( -2.982 -4.824 -0.878) 5.739 8.653 ( 4.862 -4.976 3.160) 7.641 8.811 ( -0.116 0.387 0.205) 0.453 8.899 ( 2.294 -0.570 -0.839) 2.509 9.030 ( -0.375 -1.288 -2.394) 2.744 9.100 ( 1.734 1.731 -3.016) 3.886 9.189 ( 5.468 0.974 4.838) 7.366 9.232 ( -3.786 4.353 3.638) 6.821 9.277 ( -1.568 0.018 -1.059) 1.892 9.462 ( -4.453 -0.923 0.267) 4.556 9.565 ( -2.427 -0.061 2.048) 3.176 9.633 ( -0.463 -7.012 0.468) 7.042 9.641 ( 4.140 1.905 -0.120) 4.559 9.758 ( 4.555 -5.614 2.613) 7.687 9.812 ( 6.175 -1.241 -0.296) 6.306 10.041 ( 2.959 -0.779 -4.690) 5.600 10.161 ( -0.904 2.391 -0.147) 2.560 10.257 ( -1.111 5.791 -1.051) 5.989 10.318 ( 0.317 5.456 0.425) 5.482 10.351 ( -2.842 2.199 -2.349) 4.293 10.414 ( -2.561 0.944 -5.693) 6.313 10.552 ( -3.795 2.372 -3.516) 5.691 10.681 ( -1.839 -1.386 2.318) 3.267 10.766 ( 0.137 -3.616 -5.546) 6.622 10.912 ( -1.744 2.864 -0.283) 3.365 11.008 ( -0.348 3.556 5.503) 6.561 11.097 ( -0.886 1.922 -1.938) 2.869 11.221 ( 2.244 0.475 1.114) 2.549 11.377 ( -4.101 -6.387 -0.062) 7.590 11.438 ( 0.617 -5.560 -0.956) 5.675 11.636 ( 2.342 3.919 0.541) 4.597 11.669 ( 5.450 2.358 4.154) 7.247 11.827 ( -2.334 2.127 3.337) 4.593 11.999 ( 0.798 2.147 1.737) 2.874 12.080 ( 2.580 2.264 -4.840) 5.934 12.156 ( 2.679 1.513 0.311) 3.093 12.342 ( 2.864 0.285 1.602) 3.294 12.393 ( 3.178 -1.158 1.455) 3.682 12.481 ( -5.267 -2.793 -1.934) 6.267 12.561 ( 1.901 -3.874 -0.655) 4.365 12.636 ( 5.773 -3.420 -1.054) 6.792 12.737 ( 3.725 0.559 4.926) 6.201 12.829 ( -1.720 -3.361 -2.823) 4.715 12.941 ( 1.402 -1.110 -6.084) 6.341 12.978 ( 7.622 -1.268 2.437) 8.102 13.085 ( 3.860 -5.565 -1.667) 6.975 13.209 ( -2.380 6.186 -3.347) 7.425 13.418 ( -3.656 0.552 -2.332) 4.371 13.494 ( -3.841 -1.188 1.930) 4.460 13.587 ( -3.472 -0.525 -2.414) 4.261 13.687 ( -0.653 1.913 3.252) 3.829 13.826 ( -0.328 -2.936 6.726) 7.346 14.026 ( -0.409 3.862 3.356) 5.132 14.127 ( 1.728 1.975 3.391) 4.288 14.312 ( -2.183 5.009 -4.529) 7.097 14.460 ( -4.920 2.730 -3.192) 6.469 14.643 ( -7.032 -2.927 2.090) 7.899 14.836 ( -4.441 -7.558 -6.109) 10.685 15.032 ( -0.231 5.973 1.181) 6.093 15.097 ( -0.502 4.747 0.656) 4.819 15.236 ( -4.392 -0.476 1.595) 4.697 15.291 ( -3.660 -5.273 3.945) 7.534 15.353 ( -0.004 -1.770 1.340) 2.220 15.451 ( 1.079 -5.226 0.437) 5.354 15.688 ( 3.670 4.229 0.516) 5.623 15.762 ( 3.088 2.330 -1.637) 4.201 15.903 ( -4.116 -2.310 3.633) 5.956 15.989 ( -5.483 -4.296 2.914) 7.551 16.199 ( 1.180 5.371 0.233) 5.504 16.358 ( -4.734 3.900 -2.027) 6.459 16.362 ( -3.170 2.341 -1.838) 4.348 16.419 ( -3.902 3.383 1.644) 5.420 16.548 ( 4.288 1.597 -3.779) 5.934 16.738 ( 0.286 -7.122 -1.428) 7.269 16.755 ( 2.286 -0.895 -3.296) 4.110 16.948 ( -0.002 -4.525 -2.623) 5.230 17.070 ( -0.086 1.408 -0.296) 1.441 17.090 ( 4.676 2.880 -1.465) 5.684 17.305 ( 3.270 4.226 -0.548) 5.372 17.460 ( 2.761 4.024 4.397) 6.568 17.635 ( 2.562 -6.645 1.333) 7.246 17.748 ( 2.093 -5.731 -1.159) 6.210 19.405 ( 3.190 -1.154 0.734) 3.471 19.449 ( 3.278 -2.504 1.946) 4.561 19.802 ( -1.687 4.673 -1.130) 5.095 20.037 ( 2.324 -4.404 -4.153) 6.484 21.288 ( -0.872 0.974 -3.794) 4.013 21.314 ( -1.168 -1.380 -1.398) 2.286 21.403 ( 0.382 0.772 1.020) 1.335 21.513 ( 2.803 -2.261 0.577) 3.647 22.131 ( 2.587 18.001 -0.332) 18.189 22.253 ( 4.677 8.695 0.863) 9.911 22.676 ( 1.676 -7.460 1.006) 7.712 22.801 ( 5.524 -8.422 -1.411) 10.171 24.584 ( -5.064 0.264 1.377) 5.254 24.603 ( -5.034 0.567 1.345) 5.241 24.646 ( -2.719 0.413 -1.783) 3.277 24.690 ( -1.419 -0.237 -3.755) 4.021 25.201 ( 1.978 4.140 -1.985) 4.999 25.280 ( -0.502 5.589 4.743) 7.348 25.510 ( 7.407 -6.101 -1.879) 9.779 25.618 ( 5.480 -6.054 3.387) 8.840 26.657 ( 3.129 0.512 3.817) 4.962 26.675 ( 2.463 -0.247 4.074) 4.767 27.124 ( 1.806 1.251 0.421) 2.237 27.177 ( 3.209 -0.584 0.901) 3.384 27.795 ( 1.734 -0.606 3.712) 4.142 27.825 ( 3.311 -1.825 0.474) 3.810 28.143 ( -0.530 2.981 -0.090) 3.029 28.286 ( 0.326 -2.914 -5.011) 5.806 28.687 ( 0.820 3.420 -3.656) 5.073 28.723 ( 2.084 2.063 -0.287) 2.946 28.812 ( 1.282 0.547 5.200) 5.383 28.997 ( 6.942 -3.798 -4.373) 9.041 29.830 ( -9.628 0.491 2.339) 9.920 29.878 ( -10.302 -1.798 2.211) 10.689 29.990 ( -11.978 3.332 -0.727) 12.454 30.116 ( -10.845 -1.464 -1.733) 11.079 30.831 ( -2.558 0.335 1.695) 3.087 30.858 ( -1.040 -0.272 -4.401) 4.530 31.340 ( -10.585 1.678 2.315) 10.964 31.598 ( -3.573 -9.561 0.179) 10.208 31.926 ( -4.723 5.441 1.245) 7.312 32.199 ( -0.026 -4.746 0.990) 4.848 32.297 ( 4.140 4.727 -4.811) 7.914 32.382 ( 4.441 1.158 -2.094) 5.044 32.643 ( 0.229 -1.673 -0.073) 1.690 32.698 ( 2.525 -3.621 -1.633) 4.707 32.824 ( 3.336 2.516 -0.303) 4.190 32.839 ( 6.177 1.844 0.733) 6.488 99.267 ( -0.893 0.450 0.136) 1.009 99.291 ( -0.157 -0.291 -1.778) 1.808 99.364 ( 1.273 1.002 1.027) 1.918 99.411 ( 2.304 -0.687 1.715) 2.954 102.288 ( -0.042 1.814 0.746) 1.962 102.371 ( 1.516 0.060 -1.972) 2.489 102.454 ( 2.360 -1.052 4.330) 5.042 102.511 ( 2.589 -1.679 -0.479) 3.123 107.353 ( -1.044 0.138 -0.655) 1.240 107.375 ( -0.705 -0.652 -0.141) 0.971 107.414 ( 0.082 1.043 -0.335) 1.098 107.443 ( 0.613 0.005 0.497) 0.789 109.325 ( -0.333 0.231 -0.526) 0.664 109.328 ( -0.275 0.209 0.045) 0.348 109.376 ( -0.714 -0.277 0.070) 0.769 109.378 ( -0.596 -0.269 -0.032) 0.655 ======================= Grid point 123 (67/78) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -30.889 10.630 20.976) 38.822 2.276 ( -31.333 8.058 25.485) 41.184 2.654 ( -18.652 -13.981 6.376) 24.166 2.904 ( -3.559 0.261 -13.765) 14.220 3.093 ( -2.802 -10.338 -0.410) 10.719 3.441 ( 0.579 -0.431 2.232) 2.346 3.642 ( -15.928 16.382 0.017) 22.849 3.764 ( -21.553 16.744 10.078) 29.094 3.807 ( -7.055 1.681 -9.587) 12.021 3.880 ( 9.022 -2.583 -5.134) 10.697 4.069 ( 2.862 4.112 -2.791) 5.735 4.310 ( -4.636 -10.413 -9.189) 14.641 4.453 ( 5.396 -0.330 -7.446) 9.201 4.598 ( 0.659 1.541 -3.942) 4.284 4.816 ( -0.833 0.865 1.920) 2.265 4.908 ( -6.637 3.093 6.008) 9.471 4.999 ( 1.495 -6.543 -5.419) 8.626 5.138 ( 0.525 8.384 1.947) 8.623 5.284 ( -3.319 -0.298 0.302) 3.346 5.466 ( -0.910 7.308 -0.079) 7.365 5.603 ( 4.441 3.841 -3.183) 6.678 5.615 ( -0.897 2.060 -5.108) 5.580 5.703 ( -2.404 -10.475 4.396) 11.612 5.777 ( 1.240 3.793 2.545) 4.733 5.828 ( -2.529 -1.136 -8.241) 8.695 6.023 ( 1.155 5.828 -6.111) 8.524 6.077 ( -3.047 7.290 -5.094) 9.401 6.114 ( -5.512 -2.373 4.290) 7.377 6.228 ( 5.022 -2.909 1.761) 6.065 6.381 ( 0.161 0.407 -0.336) 0.552 6.387 ( 1.758 -7.749 -1.278) 8.048 6.523 ( 3.565 -12.062 -0.038) 12.578 6.605 ( -7.663 -5.781 7.992) 12.490 6.674 ( -0.254 -1.994 2.119) 2.920 6.790 ( -6.166 1.710 -0.338) 6.408 6.865 ( 1.142 -1.933 -1.107) 2.503 7.033 ( 1.803 -10.001 -0.790) 10.193 7.086 ( 3.798 -2.372 1.148) 4.623 7.200 ( 7.690 -1.186 -0.542) 7.800 7.315 ( 6.395 -1.749 -4.117) 7.804 7.404 ( -0.096 -1.084 2.123) 2.386 7.594 ( 8.831 -1.362 0.823) 8.973 7.601 ( 5.216 5.776 3.424) 8.503 7.646 ( 7.363 1.309 -0.392) 7.489 7.768 ( 1.232 9.176 -1.233) 9.340 7.883 ( -2.972 -3.842 2.796) 5.604 7.958 ( 2.824 -3.066 4.061) 5.820 8.080 ( -5.035 -0.751 1.874) 5.425 8.170 ( 7.301 -5.144 3.963) 9.771 8.297 ( 1.399 -3.399 -4.037) 5.459 8.429 ( 0.817 -3.956 4.975) 6.409 8.484 ( -3.342 -5.968 -2.287) 7.212 8.527 ( 2.680 5.488 0.831) 6.164 8.728 ( 4.202 -3.299 -6.082) 8.095 8.861 ( -0.990 2.844 10.259) 10.692 8.919 ( 3.684 0.978 -4.467) 5.872 8.978 ( -2.272 3.120 -0.327) 3.873 9.128 ( 1.388 3.231 2.360) 4.235 9.162 ( -4.687 2.908 3.504) 6.535 9.267 ( 2.242 0.684 -0.441) 2.385 9.326 ( 1.700 4.000 4.831) 6.498 9.429 ( 0.580 -0.008 1.880) 1.968 9.524 ( -1.721 3.817 1.594) 4.480 9.585 ( -1.006 -3.409 -4.301) 5.580 9.767 ( 4.831 -2.580 -2.565) 6.047 9.872 ( 2.428 -0.774 -1.050) 2.756 9.924 ( 5.719 -3.515 -0.464) 6.729 10.027 ( 0.372 5.922 -0.640) 5.968 10.142 ( -0.489 2.849 -2.890) 4.087 10.202 ( -2.967 -2.880 1.826) 4.521 10.293 ( -2.462 -0.805 2.103) 3.337 10.324 ( -0.344 2.100 -1.605) 2.666 10.357 ( 2.014 4.921 -2.558) 5.901 10.527 ( 2.715 4.305 0.619) 5.127 10.672 ( -0.469 -4.406 -2.538) 5.106 10.730 ( 0.536 -2.759 1.171) 3.045 10.885 ( -0.623 1.759 -1.502) 2.396 11.033 ( -2.578 -2.152 1.226) 3.575 11.041 ( -2.693 6.808 1.716) 7.520 11.223 ( -1.890 2.869 3.245) 4.726 11.334 ( 1.337 -5.424 -4.648) 7.267 11.396 ( -0.991 -3.172 -4.529) 5.617 11.685 ( -0.300 2.201 1.993) 2.985 11.777 ( 1.067 0.803 6.683) 6.815 11.823 ( 0.557 3.573 -1.097) 3.778 12.032 ( -0.045 3.180 2.372) 3.967 12.095 ( 1.800 -0.416 -3.731) 4.163 12.193 ( -2.071 -4.251 3.918) 6.141 12.326 ( -0.046 0.571 -4.530) 4.566 12.422 ( -0.093 1.179 1.590) 1.982 12.431 ( -0.410 -0.437 -2.082) 2.166 12.599 ( -0.765 -0.595 -0.825) 1.273 12.725 ( 3.575 -4.242 3.462) 6.539 12.773 ( 4.258 1.112 -2.832) 5.233 12.809 ( -1.596 -9.139 0.082) 9.277 12.944 ( 3.258 0.595 -1.594) 3.675 13.079 ( -2.792 2.457 0.495) 3.752 13.172 ( 7.865 -1.686 -3.764) 8.881 13.206 ( 5.372 1.248 -5.081) 7.499 13.349 ( -3.629 -0.931 0.950) 3.865 13.459 ( 0.948 2.646 1.653) 3.260 13.548 ( -0.678 -0.668 1.470) 1.751 13.695 ( 0.180 4.856 2.305) 5.379 13.892 ( -0.076 -3.998 5.289) 6.630 14.054 ( -0.014 5.754 4.217) 7.133 14.170 ( 0.631 -0.140 -0.808) 1.034 14.220 ( -2.718 3.293 -5.915) 7.295 14.300 ( -5.983 3.446 -4.778) 8.397 14.496 ( -8.600 -4.392 4.893) 10.826 14.653 ( -7.313 -4.588 -7.991) 11.763 15.026 ( -0.722 5.668 0.057) 5.714 15.112 ( 0.966 3.043 2.584) 4.107 15.187 ( -1.564 -0.606 2.357) 2.893 15.293 ( -2.052 -1.540 6.409) 6.903 15.393 ( -0.023 -1.408 5.430) 5.610 15.486 ( 1.908 -5.709 2.208) 6.412 15.744 ( 2.055 3.455 -1.552) 4.309 15.812 ( -5.593 -0.039 3.951) 6.848 15.838 ( 5.539 -2.708 -2.085) 6.508 15.974 ( -1.005 -5.340 2.665) 6.052 16.178 ( -4.071 6.654 -2.104) 8.079 16.258 ( -2.449 3.854 3.916) 6.015 16.310 ( -2.128 4.142 -2.251) 5.172 16.357 ( -1.756 0.010 -2.402) 2.975 16.606 ( 3.520 -0.848 -1.571) 3.947 16.713 ( -0.476 -8.200 -2.875) 8.702 16.783 ( 2.867 1.488 -3.192) 4.541 16.925 ( -0.175 -2.424 -1.109) 2.671 17.091 ( 1.832 0.491 2.222) 2.922 17.155 ( 2.629 -0.307 0.702) 2.738 17.374 ( 4.017 5.584 -0.735) 6.918 17.494 ( -2.538 4.070 2.981) 5.648 17.705 ( 5.224 -7.168 -3.440) 9.513 17.757 ( -0.041 -5.940 -2.788) 6.562 19.480 ( 3.697 -0.836 0.937) 3.905 19.509 ( 1.557 -2.270 0.861) 2.884 19.807 ( 2.088 3.565 0.802) 4.208 20.021 ( 1.473 -4.240 -8.490) 9.603 21.219 ( -2.507 0.798 -3.971) 4.764 21.284 ( -0.446 -1.642 -1.100) 2.026 21.424 ( 0.540 2.921 0.908) 3.106 21.560 ( 2.264 -1.545 -1.788) 3.272 22.187 ( 3.070 19.506 -0.037) 19.746 22.336 ( 4.144 8.102 -1.717) 9.261 22.734 ( 3.020 -6.652 1.955) 7.563 22.898 ( 5.978 -7.508 -2.681) 9.965 24.482 ( -6.741 1.210 2.260) 7.212 24.515 ( -4.712 -0.207 0.448) 4.737 24.568 ( -3.674 0.067 -1.794) 4.089 24.617 ( -2.632 -0.418 -4.369) 5.117 25.235 ( 3.261 6.226 -1.849) 7.267 25.299 ( -0.739 8.031 3.060) 8.626 25.674 ( 9.676 -9.592 0.247) 13.626 25.770 ( 6.979 -9.307 3.271) 12.084 26.772 ( 3.085 0.272 5.727) 6.511 26.801 ( 7.012 -0.813 7.472) 10.279 27.168 ( 2.374 1.768 0.563) 3.013 27.247 ( 3.206 -0.978 0.595) 3.404 27.882 ( 2.805 -1.281 6.106) 6.840 27.911 ( 4.254 -2.088 2.950) 5.582 28.131 ( -0.676 3.152 -0.827) 3.328 28.219 ( -1.623 -0.224 -6.418) 6.624 28.654 ( 0.315 4.480 -5.396) 7.020 28.768 ( 2.062 -0.180 -0.043) 2.070 28.888 ( 2.551 1.755 3.882) 4.966 29.078 ( 3.996 -3.926 -3.042) 6.374 29.633 ( -12.245 0.528 0.536) 12.268 29.697 ( -11.543 -2.380 3.289) 12.236 29.749 ( -13.470 0.689 4.330) 14.165 29.826 ( -16.329 -1.394 -1.508) 16.457 30.785 ( -2.653 0.095 -1.071) 2.862 30.824 ( 2.134 -0.748 -5.406) 5.860 31.129 ( -13.089 3.311 2.646) 13.758 31.488 ( -7.937 -13.875 0.416) 15.990 31.871 ( -2.703 7.169 2.135) 7.954 32.203 ( -0.403 -5.764 1.208) 5.903 32.328 ( 4.117 4.204 -7.605) 9.616 32.425 ( 1.365 0.190 -4.704) 4.902 32.611 ( -1.241 0.520 0.021) 1.346 32.766 ( 2.976 -2.170 -0.827) 3.775 32.890 ( 6.320 4.817 -3.719) 8.774 32.980 ( 8.046 1.974 -1.918) 8.503 99.252 ( -0.830 0.420 0.264) 0.967 99.274 ( -0.032 -0.202 -1.750) 1.762 99.401 ( 1.680 1.511 0.911) 2.436 99.475 ( 2.827 -1.285 1.228) 3.339 102.297 ( 0.221 2.731 0.910) 2.887 102.378 ( 1.345 1.747 -2.400) 3.258 102.545 ( 2.993 -3.368 0.563) 4.541 102.576 ( 3.912 -4.068 3.762) 6.782 107.331 ( -0.783 0.280 -0.212) 0.858 107.360 ( -0.703 -0.777 -0.035) 1.048 107.411 ( 0.052 1.855 -0.939) 2.079 107.454 ( 0.363 0.065 -0.442) 0.576 109.313 ( -0.358 0.211 -0.521) 0.666 109.322 ( -0.345 0.057 -0.217) 0.411 109.357 ( -0.818 0.038 -0.428) 0.924 109.371 ( -0.842 -0.322 1.021) 1.362 ======================= Grid point 124 (68/78) ======================= q-point: (-0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -19.960 13.381 25.068) 34.725 2.002 ( -22.081 15.698 30.004) 40.426 2.462 ( -8.515 -10.413 9.581) 16.514 2.750 ( 4.004 10.796 -21.211) 24.135 3.018 ( -0.036 -4.514 -13.651) 14.378 3.231 ( -28.109 25.889 26.386) 46.439 3.409 ( -8.230 -3.817 2.222) 9.340 3.544 ( -12.370 3.977 2.425) 13.218 3.836 ( 14.672 -14.483 -6.299) 21.557 3.977 ( 7.362 2.707 -12.257) 14.553 4.121 ( 4.762 0.324 -4.740) 6.727 4.191 ( 1.678 -9.503 -6.259) 11.502 4.487 ( -1.411 -4.412 -3.339) 5.710 4.593 ( 9.835 6.077 -4.932) 12.570 4.803 ( 0.093 -0.819 -2.524) 2.655 4.870 ( -4.456 4.686 6.779) 9.368 4.947 ( -0.284 -5.317 -2.488) 5.877 5.162 ( -0.753 6.505 -1.247) 6.666 5.267 ( -2.150 4.196 2.669) 5.417 5.410 ( -6.982 -5.845 4.934) 10.356 5.495 ( -0.282 2.809 -10.093) 10.481 5.603 ( -5.547 2.808 -11.626) 13.184 5.676 ( 3.209 -0.059 -6.111) 6.902 5.767 ( 2.377 4.820 5.397) 7.616 5.796 ( -5.745 -2.929 0.164) 6.451 5.953 ( -0.501 1.142 -0.850) 1.509 6.040 ( 3.485 4.930 2.067) 6.381 6.124 ( -1.177 -3.108 4.300) 5.435 6.197 ( -8.525 -2.604 4.732) 10.092 6.334 ( -4.381 -1.776 1.605) 4.993 6.435 ( 2.464 -0.732 -4.263) 4.978 6.486 ( -4.893 0.195 -2.893) 5.688 6.615 ( 6.799 -10.447 -0.839) 12.493 6.664 ( -4.435 1.099 2.208) 5.075 6.717 ( -0.630 -9.497 -0.033) 9.518 6.852 ( 0.271 -3.883 -3.815) 5.450 7.076 ( 2.044 -7.132 2.536) 7.841 7.169 ( 3.952 -8.578 2.349) 9.732 7.334 ( 4.278 0.396 -0.314) 4.308 7.364 ( 0.069 -2.313 -2.923) 3.728 7.407 ( 2.279 3.431 0.850) 4.206 7.653 ( -0.570 4.078 2.040) 4.595 7.701 ( 2.325 1.867 -1.720) 3.443 7.775 ( 3.078 -1.900 -2.282) 4.277 7.796 ( 2.549 4.348 -0.851) 5.112 7.845 ( -2.588 1.952 0.972) 3.384 7.985 ( -2.900 -3.401 1.364) 4.673 8.069 ( 1.904 -7.197 5.735) 9.397 8.230 ( -5.408 -3.971 -1.271) 6.828 8.343 ( 6.944 -6.477 0.352) 9.502 8.400 ( 0.607 0.492 1.613) 1.792 8.509 ( 0.344 -3.271 0.344) 3.307 8.631 ( 4.601 5.994 1.058) 7.630 8.751 ( 1.178 -0.510 -1.759) 2.178 8.903 ( 2.538 -0.343 0.006) 2.561 8.937 ( 2.350 2.685 3.568) 5.046 8.980 ( -5.026 5.381 5.452) 9.162 9.150 ( 1.549 -0.405 1.006) 1.891 9.174 ( 3.164 6.734 -0.529) 7.459 9.322 ( -3.305 5.512 5.844) 8.687 9.404 ( 7.182 5.850 -0.643) 9.286 9.458 ( -1.519 -6.551 1.493) 6.889 9.482 ( -2.883 2.958 -2.159) 4.661 9.576 ( 3.805 5.329 0.517) 6.568 9.781 ( 0.900 0.807 -1.962) 2.304 9.868 ( -0.043 1.997 -2.368) 3.098 9.951 ( -0.339 5.253 -4.172) 6.717 10.049 ( 3.330 0.963 2.254) 4.135 10.123 ( 1.663 -4.464 2.007) 5.169 10.270 ( 2.859 -5.941 2.249) 6.966 10.277 ( -1.577 -3.316 4.093) 5.498 10.320 ( 2.790 2.972 -1.471) 4.333 10.398 ( 0.001 0.218 2.907) 2.915 10.583 ( -0.482 -1.516 2.220) 2.732 10.658 ( 1.490 -0.031 -2.565) 2.967 10.781 ( 2.179 0.169 -0.132) 2.189 10.836 ( -1.278 1.706 -1.908) 2.861 10.967 ( -5.520 -2.910 0.612) 6.270 11.039 ( 3.125 4.913 0.624) 5.856 11.272 ( 1.519 0.938 3.201) 3.665 11.340 ( 4.148 -3.419 -3.413) 6.367 11.371 ( 3.620 -1.524 -3.818) 5.477 11.642 ( -6.003 3.239 3.945) 7.880 11.810 ( -0.965 -0.079 0.813) 1.264 11.837 ( 0.602 4.810 1.838) 5.184 12.003 ( -3.455 1.086 0.639) 3.678 12.059 ( -1.324 -1.925 -1.930) 3.031 12.163 ( -2.882 -4.776 3.917) 6.816 12.310 ( -3.699 4.131 -5.271) 7.650 12.340 ( -1.434 1.893 -5.451) 5.946 12.453 ( 1.733 -0.079 -0.082) 1.737 12.576 ( 0.473 0.589 -2.267) 2.389 12.794 ( 1.790 -3.197 2.340) 4.348 12.834 ( 3.217 -6.379 -1.402) 7.281 12.866 ( 5.499 -0.259 3.113) 6.324 12.929 ( -3.816 -4.276 -0.896) 5.801 13.061 ( 2.882 5.134 0.848) 5.949 13.214 ( -1.637 -0.131 0.773) 1.815 13.268 ( 0.912 1.465 -4.481) 4.802 13.313 ( 3.518 -0.008 -4.166) 5.452 13.522 ( 0.038 3.063 5.308) 6.129 13.550 ( -2.157 -1.546 5.286) 5.915 13.685 ( -1.673 4.588 -3.526) 6.024 13.862 ( -2.816 -3.188 -4.871) 6.466 14.030 ( -2.803 5.908 -3.110) 7.241 14.099 ( -4.976 4.955 3.891) 8.029 14.171 ( -2.256 7.991 0.100) 8.304 14.220 ( -2.191 -2.165 -2.415) 3.914 14.483 ( 0.389 -7.057 5.951) 9.240 14.538 ( 7.311 -4.282 -9.034) 12.385 15.022 ( 0.425 2.934 0.833) 3.079 15.158 ( 0.488 0.913 1.957) 2.214 15.234 ( 3.214 -0.604 5.977) 6.813 15.305 ( -0.633 -1.030 4.627) 4.783 15.414 ( -3.022 0.111 6.479) 7.151 15.558 ( 2.885 -2.810 1.730) 4.383 15.702 ( -0.911 -0.685 -2.446) 2.699 15.818 ( -0.517 0.789 1.880) 2.103 15.882 ( -1.411 -1.611 -1.100) 2.408 15.947 ( -1.251 -4.557 -3.250) 5.735 16.112 ( 0.199 5.612 1.647) 5.852 16.258 ( -0.599 2.440 -2.102) 3.276 16.273 ( -0.787 2.653 3.793) 4.695 16.319 ( -0.676 0.051 -2.229) 2.330 16.636 ( 0.021 -4.509 0.530) 4.540 16.681 ( -0.522 -8.502 -2.259) 8.813 16.816 ( 1.789 3.785 0.894) 4.281 16.926 ( 0.636 -0.299 -1.085) 1.293 17.165 ( 2.833 -0.929 3.502) 4.599 17.214 ( 2.312 -2.207 2.599) 4.119 17.423 ( 0.432 3.784 -0.366) 3.826 17.431 ( -3.890 2.426 -0.617) 4.626 17.695 ( -3.650 -4.922 -1.595) 6.332 17.763 ( 4.736 -5.993 -6.219) 9.850 19.535 ( 1.251 -0.506 0.934) 1.641 19.560 ( 3.147 -0.342 1.341) 3.438 19.843 ( -0.227 -0.067 -0.832) 0.865 19.954 ( 0.866 -2.677 -11.567) 11.904 21.167 ( 0.314 2.670 -0.469) 2.729 21.285 ( 0.813 -1.668 0.073) 1.858 21.426 ( -0.699 3.261 -0.025) 3.335 21.556 ( -0.126 -0.655 -4.360) 4.411 22.239 ( 1.912 17.414 0.719) 17.534 22.376 ( 2.679 9.382 -4.592) 10.784 22.816 ( 2.945 -5.320 2.951) 6.759 22.965 ( 3.558 -5.964 -3.966) 7.998 24.385 ( -5.109 1.584 2.726) 6.004 24.440 ( -2.794 -0.563 -0.098) 2.852 24.489 ( -2.799 -0.213 -1.618) 3.240 24.522 ( -3.153 -0.126 -3.946) 5.052 25.288 ( 3.394 7.532 -1.341) 8.370 25.306 ( -0.992 8.775 2.417) 9.156 25.850 ( 7.533 -11.073 0.344) 13.397 25.907 ( 4.425 -11.568 1.140) 12.438 26.879 ( 2.524 1.236 6.190) 6.798 27.003 ( 7.015 -3.543 2.170) 8.153 27.234 ( 3.485 0.150 2.303) 4.180 27.301 ( 1.804 -1.345 0.240) 2.263 27.949 ( -1.721 -0.930 3.941) 4.400 28.028 ( 2.381 -2.343 3.900) 5.135 28.097 ( -1.207 2.536 -1.799) 3.335 28.152 ( -0.266 2.168 -4.489) 4.992 28.686 ( 9.220 1.988 2.231) 9.693 28.812 ( 4.047 -1.593 -0.275) 4.358 28.971 ( 2.767 2.125 3.811) 5.167 29.068 ( -3.794 -0.568 -0.039) 3.836 29.371 ( -18.105 -1.151 -2.474) 18.310 29.457 ( -6.219 -2.400 -1.915) 6.936 29.564 ( -9.921 -1.099 4.730) 11.045 29.608 ( -10.060 -1.908 6.968) 12.385 30.722 ( -1.286 1.852 -3.207) 3.920 30.817 ( -2.167 0.588 -4.951) 5.436 30.962 ( -1.354 0.703 1.929) 2.459 31.303 ( -12.537 -16.468 2.044) 20.799 31.853 ( -1.355 8.591 3.028) 9.209 32.192 ( -2.051 -0.353 -4.146) 4.639 32.267 ( -1.796 3.543 -7.682) 8.649 32.387 ( 0.850 -0.811 -4.437) 4.590 32.626 ( 1.210 3.885 1.920) 4.499 32.777 ( 0.518 3.792 -3.702) 5.324 32.983 ( 4.991 1.744 -2.204) 5.728 33.086 ( 5.243 1.559 -4.558) 7.120 99.240 ( -0.701 0.400 0.486) 0.942 99.261 ( 0.180 -0.198 -1.587) 1.610 99.440 ( 1.608 1.588 0.872) 2.423 99.520 ( 1.007 -1.547 -0.677) 1.966 102.309 ( -0.042 3.292 1.400) 3.578 102.381 ( 1.033 2.514 -2.638) 3.787 102.595 ( 2.851 -3.474 -0.689) 4.547 102.661 ( 0.562 -7.943 2.201) 8.262 107.323 ( -0.025 0.531 0.347) 0.635 107.354 ( -0.136 -0.568 0.704) 0.915 107.396 ( -0.444 2.576 -1.740) 3.140 107.445 ( -0.382 0.141 -1.590) 1.641 109.307 ( 0.094 0.113 -0.130) 0.196 109.314 ( -0.227 -0.099 -0.170) 0.300 109.345 ( -0.082 0.356 0.156) 0.397 109.362 ( -0.931 -0.263 0.879) 1.308 ======================= Grid point 125 (69/78) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.887 -9.696 9.146) 13.884 2.071 ( 3.887 9.696 9.146) 13.884 2.635 ( 2.169 -16.740 19.767) 25.994 2.635 ( 2.169 16.740 19.767) 25.994 3.044 ( -8.287 -5.172 -11.655) 15.207 3.044 ( -8.287 5.172 -11.655) 15.207 3.399 ( 5.879 -15.089 -13.615) 21.157 3.399 ( 5.879 15.089 -13.615) 21.157 3.865 ( -11.079 -15.664 7.570) 20.626 3.865 ( -11.079 15.664 7.570) 20.626 4.079 ( 3.184 -6.365 -10.404) 12.606 4.079 ( 3.184 6.365 -10.404) 12.606 4.611 ( -1.658 -14.568 14.937) 20.930 4.611 ( -1.658 14.568 14.937) 20.930 4.865 ( 8.532 -3.025 -6.433) 11.105 4.865 ( 8.532 3.025 -6.433) 11.105 5.048 ( 1.087 -4.235 6.865) 8.139 5.048 ( 1.087 4.235 6.865) 8.139 5.333 ( -0.774 -4.862 6.092) 7.833 5.333 ( -0.774 4.862 6.092) 7.833 5.505 ( 0.793 -8.627 -12.073) 14.860 5.505 ( 0.793 8.627 -12.073) 14.860 5.581 ( 0.005 -1.570 -10.469) 10.586 5.581 ( 0.005 1.570 -10.469) 10.586 5.944 ( 1.177 -3.448 2.259) 4.287 5.944 ( 1.177 3.448 2.259) 4.287 6.053 ( -0.698 -5.105 -4.439) 6.801 6.053 ( -0.698 5.105 -4.439) 6.801 6.292 ( -0.730 -4.934 1.930) 5.348 6.292 ( -0.730 4.934 1.930) 5.348 6.442 ( 0.681 -3.439 4.476) 5.685 6.442 ( 0.681 3.439 4.476) 5.685 6.543 ( -1.980 -6.056 -1.401) 6.524 6.543 ( -1.980 6.056 -1.401) 6.524 6.713 ( -2.019 -7.186 -3.066) 8.069 6.713 ( -2.019 7.186 -3.066) 8.069 7.002 ( 3.142 -8.532 0.201) 9.095 7.002 ( 3.142 8.532 0.201) 9.095 7.368 ( 0.755 -1.332 1.536) 2.169 7.368 ( 0.755 1.332 1.536) 2.169 7.585 ( -1.935 -5.992 -2.175) 6.662 7.585 ( -1.935 5.992 -2.175) 6.662 7.728 ( -0.882 -1.635 2.095) 2.800 7.728 ( -0.882 1.635 2.095) 2.800 7.872 ( -5.964 -4.715 4.268) 8.719 7.872 ( -5.964 4.715 4.268) 8.719 7.993 ( 6.616 -4.187 -4.627) 9.094 7.993 ( 6.616 4.187 -4.627) 9.094 8.232 ( 2.585 -4.070 1.097) 4.944 8.232 ( 2.585 4.070 1.097) 4.944 8.467 ( -1.552 -1.252 -1.236) 2.346 8.467 ( -1.552 1.252 -1.236) 2.346 8.789 ( -2.917 -4.243 -0.990) 5.244 8.789 ( -2.917 4.243 -0.990) 5.244 8.869 ( -0.768 -4.606 4.626) 6.573 8.869 ( -0.768 4.606 4.626) 6.573 9.145 ( 4.694 -5.214 0.295) 7.022 9.145 ( 4.694 5.214 0.295) 7.022 9.266 ( -5.885 -4.414 0.268) 7.361 9.266 ( -5.885 4.414 0.268) 7.361 9.513 ( -6.270 -5.069 10.889) 13.548 9.513 ( -6.270 5.069 10.889) 13.548 9.703 ( 8.759 -5.244 -4.856) 11.305 9.703 ( 8.759 5.244 -4.856) 11.305 9.872 ( 0.370 -3.481 1.429) 3.781 9.872 ( 0.370 3.481 1.429) 3.781 10.023 ( -4.058 -3.584 -3.579) 6.490 10.023 ( -4.058 3.584 -3.579) 6.490 10.137 ( 3.232 -0.958 4.064) 5.280 10.137 ( 3.232 0.958 4.064) 5.280 10.276 ( -0.644 -3.728 -1.813) 4.195 10.276 ( -0.644 3.728 -1.813) 4.195 10.449 ( 2.107 -0.923 -1.281) 2.633 10.449 ( 2.107 0.923 -1.281) 2.633 10.796 ( -0.676 -0.670 1.047) 1.415 10.796 ( -0.676 0.670 1.047) 1.415 10.852 ( 4.033 -0.655 -4.361) 5.976 10.852 ( 4.033 0.655 -4.361) 5.976 11.182 ( -2.055 -1.614 1.002) 2.798 11.182 ( -2.055 1.614 1.002) 2.798 11.360 ( -0.809 -2.046 1.515) 2.671 11.360 ( -0.809 2.046 1.515) 2.671 11.779 ( -0.388 -5.118 0.561) 5.163 11.779 ( -0.388 5.118 0.561) 5.163 11.909 ( -0.916 -2.830 4.489) 5.385 11.909 ( -0.916 2.830 4.489) 5.385 12.059 ( 4.297 -2.634 -7.312) 8.881 12.059 ( 4.297 2.634 -7.312) 8.881 12.329 ( -2.979 -3.517 2.106) 5.068 12.329 ( -2.979 3.517 2.106) 5.068 12.487 ( 0.648 -4.502 -4.526) 6.417 12.487 ( 0.648 4.502 -4.526) 6.417 12.789 ( 1.416 -0.459 0.307) 1.519 12.789 ( 1.416 0.459 0.307) 1.519 12.942 ( 2.572 -1.477 2.021) 3.589 12.942 ( 2.572 1.477 2.021) 3.589 13.146 ( -1.545 -0.986 -2.711) 3.272 13.146 ( -1.545 0.986 -2.711) 3.272 13.300 ( 0.046 -0.582 0.270) 0.643 13.300 ( 0.046 0.582 0.270) 0.643 13.543 ( -4.015 -2.130 7.569) 8.829 13.543 ( -4.015 2.130 7.569) 8.829 13.688 ( -2.621 -3.742 -2.664) 5.289 13.688 ( -2.621 3.742 -2.664) 5.289 14.063 ( -2.540 -3.450 -1.500) 4.539 14.063 ( -2.540 3.450 -1.500) 4.539 14.276 ( -2.100 -7.374 6.865) 10.291 14.276 ( -2.100 7.374 6.865) 10.291 14.492 ( 8.784 -7.807 -10.312) 15.635 14.492 ( 8.784 7.807 -10.312) 15.635 15.080 ( -1.539 -1.613 1.126) 2.498 15.080 ( -1.539 1.613 1.126) 2.498 15.348 ( 3.806 -0.867 0.152) 3.907 15.348 ( 3.806 0.867 0.152) 3.907 15.555 ( 2.670 -6.889 6.939) 10.136 15.555 ( 2.670 6.889 6.939) 10.136 15.737 ( -4.219 -3.096 -3.715) 6.418 15.737 ( -4.219 3.096 -3.715) 6.418 15.812 ( 3.168 -3.775 -4.007) 6.352 15.812 ( 3.168 3.775 -4.007) 6.352 16.200 ( -1.408 -2.363 0.866) 2.884 16.200 ( -1.408 2.363 0.866) 2.884 16.342 ( -0.194 -1.428 1.462) 2.053 16.342 ( -0.194 1.428 1.462) 2.053 16.553 ( -0.861 -0.273 0.583) 1.076 16.553 ( -0.861 0.273 0.583) 1.076 16.905 ( -1.145 -2.323 1.374) 2.932 16.905 ( -1.145 2.323 1.374) 2.932 17.231 ( 2.050 -1.271 1.515) 2.848 17.231 ( 2.050 1.271 1.515) 2.848 17.375 ( -2.630 -1.139 -0.639) 2.936 17.375 ( -2.630 1.139 -0.639) 2.936 17.666 ( -0.894 -3.650 -0.450) 3.784 17.666 ( -0.894 3.650 -0.450) 3.784 19.593 ( 0.045 -1.509 3.528) 3.837 19.593 ( 0.045 1.509 3.528) 3.837 19.815 ( -0.078 -3.840 -8.000) 8.874 19.815 ( -0.078 3.840 -8.000) 8.874 21.280 ( 2.092 -1.461 0.263) 2.565 21.280 ( 2.092 1.461 0.263) 2.565 21.454 ( -1.659 -1.997 -1.689) 3.098 21.454 ( -1.659 1.997 -1.689) 3.098 22.498 ( -0.556 -4.108 -0.969) 4.257 22.498 ( -0.556 4.108 -0.969) 4.257 22.829 ( 0.236 -4.364 -2.037) 4.822 22.829 ( 0.236 4.364 -2.037) 4.822 24.389 ( -0.505 -1.990 2.250) 3.046 24.389 ( -0.505 1.990 2.250) 3.046 24.457 ( 1.137 -1.121 -3.540) 3.883 24.457 ( 1.137 1.121 -3.540) 3.883 25.482 ( -0.735 -1.401 0.629) 1.703 25.482 ( -0.735 1.401 0.629) 1.703 25.724 ( -0.210 -0.696 1.142) 1.354 25.724 ( -0.210 0.696 1.142) 1.354 26.998 ( -0.889 -2.596 3.717) 4.620 26.998 ( -0.889 2.596 3.717) 4.620 27.276 ( -0.533 -1.171 0.521) 1.388 27.276 ( -0.533 1.171 0.521) 1.388 27.997 ( -0.977 -3.191 3.642) 4.939 27.997 ( -0.977 3.191 3.642) 4.939 28.122 ( 0.625 -2.229 -3.137) 3.899 28.122 ( 0.625 2.229 -3.137) 3.899 28.960 ( 7.541 -1.556 2.209) 8.011 28.960 ( 7.541 1.556 2.209) 8.011 28.988 ( -2.197 -1.070 1.244) 2.743 28.988 ( -2.197 1.070 1.244) 2.743 29.201 ( -3.364 -2.435 -1.771) 4.515 29.201 ( -3.364 2.435 -1.771) 4.515 29.500 ( 1.034 -0.390 2.179) 2.443 29.500 ( 1.034 0.390 2.179) 2.443 30.754 ( -3.054 -2.047 -1.002) 3.810 30.754 ( -3.054 2.047 -1.002) 3.810 30.977 ( 2.243 -2.033 0.610) 3.088 30.977 ( 2.243 2.033 0.610) 3.088 32.087 ( -0.533 -8.093 5.816) 9.980 32.087 ( -0.533 8.093 5.816) 9.980 32.277 ( 0.061 -5.357 -8.389) 9.954 32.277 ( 0.061 5.357 -8.389) 9.954 32.769 ( 0.420 -3.160 1.484) 3.516 32.769 ( 0.420 3.160 1.484) 3.516 33.058 ( -0.951 -2.903 -5.495) 6.287 33.058 ( -0.951 2.903 -5.495) 6.287 99.245 ( -0.062 -0.554 -0.274) 0.622 99.245 ( -0.062 0.554 -0.274) 0.622 99.490 ( -0.366 -0.608 0.249) 0.752 99.490 ( -0.366 0.608 0.249) 0.752 102.390 ( -1.287 -2.198 0.624) 2.622 102.390 ( -1.287 2.198 0.624) 2.622 102.562 ( 0.336 -1.803 0.541) 1.912 102.562 ( 0.336 1.803 0.541) 1.912 107.352 ( 0.427 -0.552 0.966) 1.192 107.352 ( 0.427 0.552 0.966) 1.192 107.411 ( -0.455 -0.772 -1.939) 2.136 107.411 ( -0.455 0.772 -1.939) 2.136 109.310 ( 0.032 -0.025 -0.045) 0.061 109.310 ( 0.032 0.025 -0.045) 0.061 109.354 ( 0.191 -0.190 0.156) 0.311 109.354 ( 0.191 0.190 0.156) 0.311 ======================= Grid point 127 (70/78) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 12.695 -6.463 -3.831) 14.752 2.258 ( 12.695 6.463 -3.831) 14.752 2.836 ( 6.829 -17.447 0.698) 18.749 2.836 ( 6.829 17.447 0.698) 18.749 2.966 ( 1.482 -14.859 9.515) 17.706 2.966 ( 1.482 14.859 9.515) 17.706 3.423 ( 9.558 -3.577 -9.788) 14.141 3.423 ( 9.558 3.577 -9.788) 14.141 3.751 ( -6.136 -11.816 8.377) 15.730 3.751 ( -6.136 11.816 8.377) 15.730 4.037 ( -2.071 -3.045 -2.074) 4.226 4.037 ( -2.071 3.045 -2.074) 4.226 4.637 ( -4.595 -2.757 5.173) 7.448 4.637 ( -4.595 2.757 5.173) 7.448 4.922 ( 2.907 -1.077 -3.478) 4.659 4.922 ( 2.907 1.077 -3.478) 4.659 5.213 ( 8.603 -1.660 2.785) 9.193 5.213 ( 8.603 1.660 2.785) 9.193 5.348 ( 4.236 -3.641 -7.417) 9.285 5.348 ( 4.236 3.641 -7.417) 9.285 5.458 ( 0.765 -5.971 -7.698) 9.773 5.458 ( 0.765 5.971 -7.698) 9.773 5.642 ( 10.584 -4.528 2.152) 11.711 5.642 ( 10.584 4.528 2.152) 11.711 5.978 ( 1.397 -3.821 -4.509) 6.074 5.978 ( 1.397 3.821 -4.509) 6.074 6.077 ( 4.647 -5.528 2.451) 7.626 6.077 ( 4.647 5.528 2.451) 7.626 6.255 ( -4.214 -4.879 1.106) 6.541 6.255 ( -4.214 4.879 1.106) 6.541 6.369 ( -7.891 -9.489 2.587) 12.609 6.369 ( -7.891 9.489 2.587) 12.609 6.531 ( -1.497 -14.112 1.490) 14.269 6.531 ( -1.497 14.112 1.490) 14.269 6.704 ( 3.425 -4.405 -0.153) 5.582 6.704 ( 3.425 4.405 -0.153) 5.582 7.104 ( 6.559 -11.149 -1.517) 13.023 7.104 ( 6.559 11.149 -1.517) 13.023 7.317 ( -6.007 -6.126 -2.565) 8.955 7.317 ( -6.007 6.126 -2.565) 8.955 7.517 ( -4.013 -3.738 1.717) 5.747 7.517 ( -4.013 3.738 1.717) 5.747 7.712 ( -2.285 -4.042 2.681) 5.362 7.712 ( -2.285 4.042 2.681) 5.362 7.835 ( -2.515 -2.782 5.180) 6.395 7.835 ( -2.515 2.782 5.180) 6.395 8.094 ( 5.740 -2.994 -5.326) 8.384 8.094 ( 5.740 2.994 -5.326) 8.384 8.203 ( -2.129 -1.724 -2.515) 3.719 8.203 ( -2.129 1.724 -2.515) 3.719 8.457 ( -0.738 -0.656 0.318) 1.038 8.457 ( -0.738 0.656 0.318) 1.038 8.689 ( -7.706 -4.065 3.322) 9.324 8.689 ( -7.706 4.065 3.322) 9.324 8.912 ( -0.545 -7.144 3.898) 8.157 8.912 ( -0.545 7.144 3.898) 8.157 9.112 ( -1.819 -2.415 -3.797) 4.854 9.112 ( -1.819 2.415 -3.797) 4.854 9.257 ( -1.147 -2.785 5.303) 6.099 9.257 ( -1.147 2.785 5.303) 6.099 9.442 ( -5.436 -4.007 4.488) 8.109 9.442 ( -5.436 4.007 4.488) 8.109 9.736 ( -2.516 -4.922 -6.203) 8.309 9.736 ( -2.516 4.922 -6.203) 8.309 9.792 ( -4.445 -4.343 0.884) 6.277 9.792 ( -4.445 4.343 0.884) 6.277 10.013 ( 0.008 -3.679 2.517) 4.457 10.013 ( 0.008 3.679 2.517) 4.457 10.168 ( 2.299 -5.686 -4.833) 7.809 10.168 ( 2.299 5.686 -4.833) 7.809 10.296 ( 1.777 -4.513 0.996) 4.952 10.296 ( 1.777 4.513 0.996) 4.952 10.509 ( 4.295 -3.843 -2.490) 6.278 10.509 ( 4.295 3.843 -2.490) 6.278 10.765 ( -1.514 -2.455 -1.122) 3.095 10.765 ( -1.514 2.455 -1.122) 3.095 10.912 ( 3.357 -2.294 -3.473) 5.347 10.912 ( 3.357 2.294 -3.473) 5.347 11.165 ( -0.285 -7.778 3.769) 8.648 11.165 ( -0.285 7.778 3.769) 8.648 11.288 ( -4.929 -1.393 -1.263) 5.276 11.288 ( -4.929 1.393 -1.263) 5.276 11.769 ( 0.181 -7.161 2.957) 7.750 11.769 ( 0.181 7.161 2.957) 7.750 11.985 ( 4.323 -3.535 -1.144) 5.700 11.985 ( 4.323 3.535 -1.144) 5.700 12.086 ( 3.005 -7.361 -5.545) 9.693 12.086 ( 3.005 7.361 -5.545) 9.693 12.324 ( -1.720 -5.701 4.864) 7.689 12.324 ( -1.720 5.701 4.864) 7.689 12.470 ( 1.381 -5.115 -1.769) 5.586 12.470 ( 1.381 5.115 -1.769) 5.586 12.784 ( -1.209 -3.074 -1.274) 3.540 12.784 ( -1.209 3.074 -1.274) 3.540 12.958 ( -1.163 -0.809 -5.381) 5.564 12.958 ( -1.163 0.809 -5.381) 5.564 13.112 ( -0.286 -3.334 4.029) 5.237 13.112 ( -0.286 3.334 4.029) 5.237 13.274 ( -3.729 -1.932 -1.161) 4.357 13.274 ( -3.729 1.932 -1.161) 4.357 13.579 ( 0.743 -3.388 7.712) 8.456 13.579 ( 0.743 3.388 7.712) 8.456 13.651 ( 0.216 -1.651 2.644) 3.125 13.651 ( 0.216 1.651 2.644) 3.125 14.033 ( -1.473 -3.580 3.992) 5.561 14.033 ( -1.473 3.580 3.992) 5.561 14.284 ( -2.222 -6.609 0.460) 6.988 14.284 ( -2.222 6.609 0.460) 6.988 14.542 ( 7.459 -9.585 -10.997) 16.384 14.542 ( 7.459 9.585 -10.997) 16.384 15.089 ( 0.843 -3.192 2.746) 4.294 15.089 ( 0.843 3.192 2.746) 4.294 15.332 ( -2.875 -1.546 -4.133) 5.267 15.332 ( -2.875 1.546 -4.133) 5.267 15.624 ( -1.759 -6.402 1.983) 6.929 15.624 ( -1.759 6.402 1.983) 6.929 15.692 ( 3.532 -4.296 -4.096) 6.908 15.692 ( 3.532 4.296 -4.096) 6.908 15.885 ( 6.929 -1.044 -2.664) 7.497 15.885 ( 6.929 1.044 -2.664) 7.497 16.191 ( -0.588 -1.550 2.630) 3.109 16.191 ( -0.588 1.550 2.630) 3.109 16.344 ( -0.111 -3.384 0.394) 3.409 16.344 ( -0.111 3.384 0.394) 3.409 16.546 ( -0.602 -0.536 1.229) 1.470 16.546 ( -0.602 0.536 1.229) 1.470 16.869 ( -3.446 -3.736 1.636) 5.339 16.869 ( -3.446 3.736 1.636) 5.339 17.241 ( -0.772 -0.173 -2.997) 3.100 17.241 ( -0.772 0.173 -2.997) 3.100 17.397 ( 2.413 -2.171 4.349) 5.427 17.397 ( 2.413 2.171 4.349) 5.427 17.614 ( -4.159 -3.450 1.595) 5.634 17.614 ( -4.159 3.450 1.595) 5.634 19.576 ( -3.422 -0.889 0.702) 3.605 19.576 ( -3.422 0.889 0.702) 3.605 19.791 ( 1.632 -4.170 -1.461) 4.710 19.791 ( 1.632 4.170 -1.461) 4.710 21.265 ( -1.524 -2.856 -2.839) 4.306 21.265 ( -1.524 2.856 -2.839) 4.306 21.458 ( 1.106 -1.593 1.959) 2.756 21.458 ( 1.106 1.593 1.959) 2.756 22.470 ( -2.034 -2.354 0.851) 3.225 22.470 ( -2.034 2.354 0.851) 3.225 22.778 ( -4.059 -2.314 -0.721) 4.728 22.778 ( -4.059 2.314 -0.721) 4.728 24.435 ( 3.081 -1.669 2.096) 4.083 24.435 ( 3.081 1.669 2.096) 4.083 24.488 ( 4.904 -1.183 -3.504) 6.142 24.488 ( 4.904 1.183 -3.504) 6.142 25.451 ( -3.365 -4.959 1.432) 6.162 25.451 ( -3.365 4.959 1.432) 6.162 25.682 ( -4.327 -4.352 0.410) 6.150 25.682 ( -4.327 4.352 0.410) 6.150 26.966 ( -4.362 -0.512 1.843) 4.763 26.966 ( -4.362 0.512 1.843) 4.763 27.251 ( -2.707 -0.299 1.098) 2.937 27.251 ( -2.707 0.299 1.098) 2.937 28.014 ( -0.594 -2.486 2.469) 3.553 28.014 ( -0.594 2.486 2.469) 3.553 28.123 ( 0.889 -2.510 -2.150) 3.423 28.123 ( 0.889 2.510 -2.150) 3.423 28.788 ( -7.638 -2.710 -2.432) 8.462 28.788 ( -7.638 2.710 -2.432) 8.462 29.058 ( -2.542 -0.420 -0.507) 2.626 29.058 ( -2.542 0.420 -0.507) 2.626 29.363 ( 14.876 -3.204 1.014) 15.251 29.363 ( 14.876 3.204 1.014) 15.251 29.643 ( 12.440 -2.851 -1.801) 12.889 29.643 ( 12.440 2.851 -1.801) 12.889 30.696 ( -2.222 -3.205 2.552) 4.660 30.696 ( -2.222 3.205 2.552) 4.660 31.104 ( 9.788 -7.204 -1.462) 12.240 31.104 ( 9.788 7.204 -1.462) 12.240 32.106 ( -1.714 -5.674 3.068) 6.674 32.106 ( -1.714 5.674 3.068) 6.674 32.244 ( 1.671 -3.810 -2.684) 4.951 32.244 ( 1.671 3.810 -2.684) 4.951 32.766 ( -1.241 -1.084 -0.640) 1.768 32.766 ( -1.241 1.084 -0.640) 1.768 32.972 ( -5.268 -1.295 0.821) 5.486 32.972 ( -5.268 1.295 0.821) 5.486 99.245 ( 0.149 -0.531 0.041) 0.553 99.245 ( 0.149 0.531 0.041) 0.553 99.476 ( -1.441 -1.085 0.644) 1.915 99.476 ( -1.441 1.085 0.644) 1.915 102.364 ( -2.351 -1.144 1.949) 3.261 102.364 ( -2.351 1.144 1.949) 3.261 102.566 ( -0.216 -3.232 -0.291) 3.253 102.566 ( -0.216 3.232 -0.291) 3.253 107.353 ( -0.436 -0.751 -0.542) 1.023 107.353 ( -0.436 0.751 -0.542) 1.023 107.408 ( 0.797 -0.772 0.425) 1.188 107.408 ( 0.797 0.772 0.425) 1.188 109.309 ( -0.029 -0.138 -0.053) 0.150 109.309 ( -0.029 0.138 -0.053) 0.150 109.363 ( 0.712 -0.842 -0.275) 1.136 109.363 ( 0.712 0.842 -0.275) 1.136 ======================= Grid point 129 (71/78) ======================= q-point: ( 0.20 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 20.908 -9.383 -8.212) 24.344 2.523 ( 20.908 9.383 -8.212) 24.344 2.924 ( 2.960 -10.818 -1.715) 11.346 2.924 ( 2.960 10.818 -1.715) 11.346 3.140 ( 14.539 -6.445 -4.391) 16.499 3.140 ( 14.539 6.445 -4.391) 16.499 3.619 ( 11.310 -11.304 3.119) 16.292 3.619 ( 11.310 11.304 3.119) 16.292 3.787 ( -0.716 -2.195 9.849) 10.116 3.787 ( -0.716 2.195 9.849) 10.116 4.013 ( 3.106 -10.853 1.332) 11.367 4.013 ( 3.106 10.853 1.332) 11.367 4.569 ( -5.877 -12.758 3.592) 14.499 4.569 ( -5.877 12.758 3.592) 14.499 4.950 ( 3.775 -2.258 -4.136) 6.037 4.950 ( 3.775 2.258 -4.136) 6.037 5.281 ( -1.055 -3.480 -3.451) 5.013 5.281 ( -1.055 3.480 -3.451) 5.013 5.392 ( -0.635 -2.573 8.460) 8.866 5.392 ( -0.635 2.573 8.460) 8.866 5.504 ( 13.859 -19.069 -15.322) 28.114 5.504 ( 13.859 19.069 -15.322) 28.114 5.817 ( 0.152 -7.732 1.751) 7.929 5.817 ( 0.152 7.732 1.751) 7.929 5.975 ( 4.940 -4.941 -2.005) 7.269 5.975 ( 4.940 4.941 -2.005) 7.269 6.079 ( -7.194 -6.024 -1.878) 9.569 6.079 ( -7.194 6.024 -1.878) 9.569 6.209 ( 0.515 -3.472 2.725) 4.444 6.209 ( 0.515 3.472 2.725) 4.444 6.357 ( -1.081 -2.224 7.004) 7.428 6.357 ( -1.081 2.224 7.004) 7.428 6.522 ( 3.965 -4.812 0.065) 6.236 6.522 ( 3.965 4.812 0.065) 6.236 6.801 ( 5.616 -4.331 -0.593) 7.117 6.801 ( 5.616 4.331 -0.593) 7.117 7.122 ( -8.813 -8.170 -0.293) 12.021 7.122 ( -8.813 8.170 -0.293) 12.021 7.196 ( 1.121 -11.009 -3.079) 11.486 7.196 ( 1.121 11.009 -3.079) 11.486 7.436 ( -4.228 -3.884 -1.960) 6.067 7.436 ( -4.228 3.884 -1.960) 6.067 7.687 ( -4.010 -5.811 3.697) 7.970 7.687 ( -4.010 5.811 3.697) 7.970 7.852 ( -0.819 -1.975 5.299) 5.714 7.852 ( -0.819 1.975 5.299) 5.714 8.029 ( -4.233 -1.827 -4.691) 6.578 8.029 ( -4.233 1.827 -4.691) 6.578 8.215 ( -0.204 -4.287 -1.188) 4.453 8.215 ( -0.204 4.287 -1.188) 4.453 8.412 ( 0.981 -3.730 -4.270) 5.754 8.412 ( 0.981 3.730 -4.270) 5.754 8.568 ( -7.582 -1.419 5.495) 9.471 8.568 ( -7.582 1.419 5.495) 9.471 8.893 ( -2.956 -6.585 2.608) 7.675 8.893 ( -2.956 6.585 2.608) 7.675 9.127 ( 2.009 -4.515 1.180) 5.081 9.127 ( 2.009 4.515 1.180) 5.081 9.246 ( 0.123 -3.285 -0.996) 3.435 9.246 ( 0.123 3.285 -0.996) 3.435 9.432 ( -0.598 -2.674 4.130) 4.956 9.432 ( -0.598 2.674 4.130) 4.956 9.567 ( -7.358 -5.358 -3.022) 9.591 9.567 ( -7.358 5.358 -3.022) 9.591 9.753 ( -2.593 -2.315 -0.656) 3.537 9.753 ( -2.593 2.315 -0.656) 3.537 10.017 ( -1.340 -8.650 -0.610) 8.774 10.017 ( -1.340 8.650 -0.610) 8.774 10.165 ( 0.036 -1.885 -1.333) 2.309 10.165 ( 0.036 1.885 -1.333) 2.309 10.321 ( 2.520 -4.755 -0.914) 5.458 10.321 ( 2.520 4.755 -0.914) 5.458 10.541 ( 0.357 -5.580 -1.644) 5.828 10.541 ( 0.357 5.580 -1.644) 5.828 10.706 ( -2.634 -5.857 -2.153) 6.773 10.706 ( -2.634 5.857 -2.153) 6.773 10.936 ( 2.073 -5.058 0.835) 5.530 10.936 ( 2.073 5.058 0.835) 5.530 11.199 ( -2.220 -2.175 -0.173) 3.112 11.199 ( -2.220 2.175 -0.173) 3.112 11.271 ( 6.504 -5.532 0.131) 8.539 11.271 ( 6.504 5.532 0.131) 8.539 11.799 ( 0.293 -7.142 -1.271) 7.260 11.799 ( 0.293 7.142 -1.271) 7.260 11.996 ( -1.189 -7.817 -1.929) 8.139 11.996 ( -1.189 7.817 -1.929) 8.139 12.101 ( 1.165 -4.160 0.304) 4.330 12.101 ( 1.165 4.160 0.304) 4.330 12.329 ( -0.353 -5.673 2.504) 6.211 12.329 ( -0.353 5.673 2.504) 6.211 12.514 ( 2.966 -4.706 -0.361) 5.574 12.514 ( 2.966 4.706 -0.361) 5.574 12.734 ( -3.730 -5.644 0.625) 6.794 12.734 ( -3.730 5.644 0.625) 6.794 12.841 ( -4.710 -0.554 -3.680) 6.003 12.841 ( -4.710 0.554 -3.680) 6.003 13.124 ( -5.169 -0.710 2.562) 5.813 13.124 ( -5.169 0.710 2.562) 5.813 13.244 ( 5.432 -6.547 -1.725) 8.680 13.244 ( 5.432 6.547 -1.725) 8.680 13.565 ( -3.204 -1.706 -1.410) 3.894 13.565 ( -3.204 1.706 -1.410) 3.894 13.777 ( 3.534 -4.699 7.406) 9.456 13.777 ( 3.534 4.699 7.406) 9.456 14.075 ( -0.285 -3.653 5.743) 6.813 14.075 ( -0.285 3.653 5.743) 6.813 14.223 ( 0.192 -0.698 0.037) 0.724 14.223 ( 0.192 0.698 0.037) 0.724 14.614 ( 7.713 -3.114 -8.394) 11.817 14.614 ( 7.713 3.114 -8.394) 11.817 15.146 ( 1.773 -4.387 3.083) 5.648 15.146 ( 1.773 4.387 3.083) 5.648 15.241 ( -2.216 -3.903 -2.814) 5.298 15.241 ( -2.216 3.903 -2.814) 5.298 15.542 ( -5.662 -2.164 -2.713) 6.641 15.542 ( -5.662 2.164 -2.713) 6.641 15.742 ( 3.919 -2.314 -2.658) 5.270 15.742 ( 3.919 2.314 -2.658) 5.270 15.964 ( 4.060 -1.444 -4.434) 6.182 15.964 ( 4.060 1.444 -4.434) 6.182 16.227 ( 0.249 -2.874 4.144) 5.049 16.227 ( 0.249 2.874 4.144) 5.049 16.365 ( 3.059 -2.955 -1.386) 4.473 16.365 ( 3.059 2.955 -1.386) 4.473 16.556 ( 0.741 -1.604 1.477) 2.303 16.556 ( 0.741 1.604 1.477) 2.303 16.821 ( -2.311 -4.283 1.157) 5.002 16.821 ( -2.311 4.283 1.157) 5.002 17.174 ( -3.083 -0.402 -3.146) 4.423 17.174 ( -3.083 0.402 -3.146) 4.423 17.448 ( -2.598 -7.201 4.636) 8.950 17.448 ( -2.598 7.201 4.636) 8.950 17.588 ( 0.079 -3.893 3.184) 5.030 17.588 ( 0.079 3.893 3.184) 5.030 19.507 ( -3.420 -0.608 -0.667) 3.537 19.507 ( -3.420 0.608 -0.667) 3.537 19.819 ( 0.736 -0.869 1.767) 2.102 19.819 ( 0.736 0.869 1.767) 2.102 21.232 ( 0.251 -2.755 -0.982) 2.936 21.232 ( 0.251 2.755 -0.982) 2.936 21.481 ( -0.584 -2.226 1.428) 2.708 21.481 ( -0.584 2.226 1.428) 2.708 22.445 ( -2.012 -1.877 2.430) 3.671 22.445 ( -2.012 1.877 2.430) 3.671 22.672 ( -5.991 -4.098 -0.823) 7.305 22.672 ( -5.991 4.098 -0.823) 7.305 24.522 ( 3.713 -0.663 1.908) 4.226 24.522 ( 3.713 0.663 1.908) 4.226 24.571 ( 6.431 -0.323 -3.257) 7.216 24.571 ( 6.431 0.323 -3.257) 7.216 25.385 ( -4.887 -8.327 2.133) 9.888 25.385 ( -4.887 8.327 2.133) 9.888 25.587 ( -4.736 -7.600 -1.098) 9.022 25.587 ( -4.736 7.600 -1.098) 9.022 26.877 ( -4.826 -0.460 -1.606) 5.107 26.877 ( -4.826 0.460 -1.606) 5.107 27.199 ( -3.649 -1.557 1.612) 4.282 27.199 ( -3.649 1.557 1.612) 4.282 27.976 ( -3.248 -1.268 -3.963) 5.278 27.976 ( -3.248 1.268 -3.963) 5.278 28.116 ( -0.949 -0.944 3.094) 3.371 28.116 ( -0.949 0.944 3.094) 3.371 28.694 ( -2.553 -4.396 1.210) 5.225 28.694 ( -2.553 4.396 1.210) 5.225 28.986 ( -3.819 -1.494 -0.888) 4.196 28.986 ( -3.819 1.494 -0.888) 4.196 29.656 ( 14.468 -1.986 0.859) 14.629 29.656 ( 14.468 1.986 0.859) 14.629 29.871 ( 13.517 -2.318 -5.294) 14.700 29.871 ( 13.517 2.318 -5.294) 14.700 30.727 ( 2.594 -2.628 2.986) 4.748 30.727 ( 2.594 2.628 2.986) 4.748 31.287 ( 10.002 -6.325 -1.563) 11.937 31.287 ( 10.002 6.325 -1.563) 11.937 32.096 ( 0.097 -6.703 -0.416) 6.717 32.096 ( 0.097 6.703 -0.416) 6.717 32.268 ( -0.296 -3.383 3.474) 4.858 32.268 ( -0.296 3.383 3.474) 4.858 32.710 ( -3.163 -3.975 -2.043) 5.475 32.710 ( -3.163 3.975 -2.043) 5.475 32.891 ( -4.936 -3.314 3.600) 6.950 32.891 ( -4.936 3.314 3.600) 6.950 99.251 ( 0.327 -0.449 0.346) 0.655 99.251 ( 0.327 0.449 0.346) 0.655 99.447 ( -1.958 -1.694 0.316) 2.608 99.447 ( -1.958 1.694 0.316) 2.608 102.337 ( -2.254 -1.197 2.254) 3.405 102.337 ( -2.254 1.197 2.254) 3.405 102.544 ( -1.329 -2.767 -1.187) 3.291 102.544 ( -1.329 2.767 -1.187) 3.291 107.345 ( 0.100 -0.786 -0.337) 0.861 107.345 ( 0.100 0.786 -0.337) 0.861 107.428 ( 0.539 -1.065 0.667) 1.367 107.428 ( 0.539 1.065 0.667) 1.367 109.311 ( 0.251 -0.289 0.157) 0.413 109.311 ( 0.251 0.289 0.157) 0.413 109.374 ( 0.743 -0.978 -0.504) 1.327 109.374 ( 0.743 0.978 -0.504) 1.327 ======================= Grid point 131 (72/78) ======================= q-point: ( 0.30 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 19.982 -6.251 -3.614) 21.246 2.888 ( 19.982 6.251 -3.614) 21.246 2.990 ( 10.476 -8.841 -6.691) 15.254 2.990 ( 10.476 8.841 -6.691) 15.254 3.407 ( 15.988 -4.007 -9.431) 18.990 3.407 ( 15.988 4.007 -9.431) 18.990 3.764 ( 3.416 -4.858 1.833) 6.215 3.764 ( 3.416 4.858 1.833) 6.215 3.927 ( 5.876 -8.224 14.885) 17.993 3.927 ( 5.876 8.224 14.885) 17.993 4.191 ( 11.319 -11.351 0.430) 16.037 4.191 ( 11.319 11.351 0.430) 16.037 4.464 ( -7.301 -16.108 1.452) 17.745 4.464 ( -7.301 16.108 1.452) 17.745 4.998 ( 3.860 -2.894 -4.529) 6.617 4.998 ( 3.860 2.894 -4.529) 6.617 5.218 ( -2.870 -4.571 -2.837) 6.097 5.218 ( -2.870 4.571 -2.837) 6.097 5.397 ( -5.126 -5.421 6.587) 9.952 5.397 ( -5.126 5.421 6.587) 9.952 5.610 ( 2.568 -7.184 0.375) 7.638 5.610 ( 2.568 7.184 0.375) 7.638 5.829 ( 3.278 -5.134 -1.973) 6.403 5.829 ( 3.278 5.134 -1.973) 6.403 5.910 ( -4.282 -6.480 -1.944) 8.007 5.910 ( -4.282 6.480 -1.944) 8.007 6.072 ( 2.284 -1.901 0.690) 3.051 6.072 ( 2.284 1.901 0.690) 3.051 6.228 ( -2.423 -5.158 -2.591) 6.260 6.228 ( -2.423 5.158 -2.591) 6.260 6.328 ( 0.688 -4.898 1.432) 5.149 6.328 ( 0.688 4.898 1.432) 5.149 6.677 ( 2.431 -1.324 4.749) 5.497 6.677 ( 2.431 1.324 4.749) 5.497 6.834 ( 0.958 -6.522 -8.803) 10.997 6.834 ( 0.958 6.522 -8.803) 10.997 6.996 ( -3.346 -4.139 4.615) 7.045 6.996 ( -3.346 4.139 4.615) 7.045 7.134 ( -5.465 -6.728 -0.255) 8.672 7.134 ( -5.465 6.728 -0.255) 8.672 7.383 ( 1.851 -9.846 -2.104) 10.237 7.383 ( 1.851 9.846 -2.104) 10.237 7.594 ( -6.299 -1.857 -1.881) 6.831 7.594 ( -6.299 1.857 -1.881) 6.831 7.827 ( -4.894 -2.289 3.140) 6.249 7.827 ( -4.894 2.289 3.140) 6.249 7.979 ( 3.030 -8.892 -1.437) 9.503 7.979 ( 3.030 8.892 -1.437) 9.503 8.198 ( 0.384 -1.202 0.406) 1.326 8.198 ( 0.384 1.202 0.406) 1.326 8.397 ( -1.873 -4.229 0.702) 4.678 8.397 ( -1.873 4.229 0.702) 4.678 8.561 ( 2.238 -2.860 1.563) 3.953 8.561 ( 2.238 2.860 1.563) 3.953 8.840 ( -4.392 -7.026 0.354) 8.294 8.840 ( -4.392 7.026 0.354) 8.294 9.157 ( -0.823 -5.522 1.905) 5.899 9.157 ( -0.823 5.522 1.905) 5.899 9.226 ( -2.896 -6.532 -2.234) 7.486 9.226 ( -2.896 6.532 -2.234) 7.486 9.403 ( -1.472 -4.178 -0.212) 4.435 9.403 ( -1.472 4.178 -0.212) 4.435 9.509 ( 1.136 -6.919 2.081) 7.314 9.509 ( 1.136 6.919 2.081) 7.314 9.681 ( -3.235 -5.591 -3.429) 7.313 9.681 ( -3.235 5.591 -3.429) 7.313 9.915 ( -5.572 -6.334 -1.892) 8.646 9.915 ( -5.572 6.334 -1.892) 8.646 10.203 ( 2.288 -6.924 2.551) 7.726 10.203 ( 2.288 6.924 2.551) 7.726 10.391 ( 3.994 -4.004 0.671) 5.695 10.391 ( 3.994 4.004 0.671) 5.695 10.511 ( -0.989 -1.879 -1.750) 2.752 10.511 ( -0.989 1.879 -1.750) 2.752 10.684 ( 0.912 -1.902 1.516) 2.598 10.684 ( 0.912 1.902 1.516) 2.598 10.983 ( 1.260 -4.656 0.968) 4.920 10.983 ( 1.260 4.656 0.968) 4.920 11.161 ( -1.771 -1.565 0.120) 2.366 11.161 ( -1.771 1.565 0.120) 2.366 11.377 ( 4.073 -4.549 -2.087) 6.452 11.377 ( 4.073 4.549 -2.087) 6.452 11.750 ( -1.847 -6.819 -2.908) 7.639 11.750 ( -1.847 6.819 -2.908) 7.639 11.963 ( -1.199 -8.340 -1.451) 8.550 11.963 ( -1.199 8.340 -1.451) 8.550 12.109 ( -1.215 -6.068 2.809) 6.796 12.109 ( -1.215 6.068 2.809) 6.796 12.331 ( -3.655 -2.983 1.703) 5.016 12.331 ( -3.655 2.983 1.703) 5.016 12.520 ( 0.205 -5.310 -3.744) 6.501 12.520 ( 0.205 5.310 -3.744) 6.501 12.656 ( -3.605 -4.043 -0.135) 5.419 12.656 ( -3.605 4.043 -0.135) 5.419 12.818 ( 2.259 -3.347 4.219) 5.840 12.818 ( 2.259 3.347 4.219) 5.840 13.031 ( -2.902 -2.888 -5.209) 6.626 13.031 ( -2.902 2.888 -5.209) 6.626 13.347 ( 5.204 -7.601 -1.242) 9.295 13.347 ( 5.204 7.601 -1.242) 9.295 13.499 ( -1.887 -3.386 0.577) 3.919 13.499 ( -1.887 3.386 0.577) 3.919 13.823 ( -1.296 -6.684 0.915) 6.869 13.823 ( -1.296 6.684 0.915) 6.869 14.090 ( -0.159 -1.823 3.151) 3.644 14.090 ( -0.159 1.823 3.151) 3.644 14.350 ( 5.673 -3.214 6.133) 8.951 14.350 ( 5.673 3.214 6.133) 8.951 14.671 ( 4.073 -0.552 -4.721) 6.259 14.671 ( 4.073 0.552 -4.721) 6.259 15.187 ( 0.274 -1.563 2.709) 3.139 15.187 ( 0.274 1.563 2.709) 3.139 15.218 ( 0.750 -8.349 -1.060) 8.449 15.218 ( 0.750 8.349 -1.060) 8.449 15.414 ( -3.350 -1.648 -3.713) 5.265 15.414 ( -3.350 1.648 -3.713) 5.265 15.760 ( -0.971 -0.477 -0.872) 1.389 15.760 ( -0.971 0.477 -0.872) 1.389 16.012 ( 6.262 -2.587 -5.555) 8.761 16.012 ( 6.262 2.587 -5.555) 8.761 16.240 ( -2.215 -2.457 3.763) 5.010 16.240 ( -2.215 2.457 3.763) 5.010 16.425 ( 3.407 -0.559 0.071) 3.453 16.425 ( 3.407 0.559 0.071) 3.453 16.599 ( 2.550 -3.982 0.002) 4.728 16.599 ( 2.550 3.982 0.002) 4.728 16.811 ( 1.061 -4.625 -0.444) 4.765 16.811 ( 1.061 4.625 -0.444) 4.765 17.087 ( -4.414 -0.498 0.178) 4.446 17.087 ( -4.414 0.498 0.178) 4.446 17.407 ( -3.881 -7.737 2.370) 8.975 17.407 ( -3.881 7.737 2.370) 8.975 17.616 ( -0.565 -2.777 2.042) 3.493 17.616 ( -0.565 2.777 2.042) 3.493 19.437 ( -3.005 -1.965 -1.434) 3.866 19.437 ( -3.005 1.965 -1.434) 3.866 19.849 ( 0.642 -2.972 2.709) 4.072 19.849 ( 0.642 2.972 2.709) 4.072 21.253 ( 1.515 -1.235 1.159) 2.273 21.253 ( 1.515 1.235 1.159) 2.273 21.462 ( -1.935 -2.250 0.216) 2.976 21.462 ( -1.935 2.250 0.216) 2.976 22.433 ( -1.669 -4.469 2.900) 5.582 22.433 ( -1.669 4.469 2.900) 5.582 22.548 ( -5.488 -7.148 -1.703) 9.171 22.548 ( -5.488 7.148 -1.703) 9.171 24.598 ( 2.637 -0.292 1.696) 3.149 24.598 ( 2.637 0.292 1.696) 3.149 24.665 ( 5.648 -1.273 -2.762) 6.415 24.665 ( 5.648 1.273 -2.762) 6.415 25.307 ( -4.864 -8.233 1.991) 9.768 25.307 ( -4.864 8.233 1.991) 9.768 25.501 ( -2.784 -7.577 -1.740) 8.257 25.501 ( -2.784 7.577 -1.740) 8.257 26.766 ( -3.869 -0.476 -4.185) 5.719 26.766 ( -3.869 0.476 -4.185) 5.719 27.145 ( -3.295 -1.613 1.627) 4.013 27.145 ( -3.295 1.613 1.627) 4.013 27.866 ( -3.236 -1.006 -4.880) 5.941 27.866 ( -3.236 1.006 -4.880) 5.941 28.137 ( -0.927 -0.733 5.100) 5.235 28.137 ( -0.927 0.733 5.100) 5.235 28.668 ( -3.288 -3.396 4.814) 6.747 28.668 ( -3.288 3.396 4.814) 6.747 28.912 ( -2.101 -0.496 -2.735) 3.484 28.912 ( -2.101 0.496 -2.735) 3.484 29.892 ( 9.880 -1.625 -1.156) 10.079 29.892 ( 9.880 1.625 -1.156) 10.079 30.075 ( 11.093 -1.801 -2.505) 11.515 30.075 ( 11.093 1.801 -2.505) 11.515 30.818 ( 4.404 -2.875 1.125) 5.378 30.818 ( 4.404 2.875 1.125) 5.378 31.442 ( 7.061 -4.186 -1.064) 8.278 31.442 ( 7.061 4.186 -1.064) 8.278 32.105 ( 1.573 -6.233 -1.477) 6.596 32.105 ( 1.573 6.233 -1.477) 6.596 32.276 ( -2.904 -4.007 5.213) 7.188 32.276 ( -2.904 4.007 5.213) 7.188 32.633 ( -2.889 -1.439 -0.682) 3.299 32.633 ( -2.889 1.439 -0.682) 3.299 32.842 ( -2.663 -1.768 1.328) 3.461 32.842 ( -2.663 1.768 1.328) 3.461 99.263 ( 0.428 -0.309 0.634) 0.825 99.263 ( 0.428 0.309 0.634) 0.825 99.409 ( -1.841 -1.395 -0.424) 2.348 99.409 ( -1.841 1.395 -0.424) 2.348 102.316 ( -1.819 -1.257 1.960) 2.954 102.316 ( -1.819 1.257 1.960) 2.954 102.502 ( -1.541 -1.223 -1.794) 2.663 102.502 ( -1.541 1.223 -1.794) 2.663 107.351 ( 0.510 -0.584 0.313) 0.836 107.351 ( 0.510 0.584 0.313) 0.836 107.437 ( 0.138 -0.882 0.006) 0.892 107.437 ( 0.138 0.882 0.006) 0.892 109.320 ( 0.350 -0.317 0.416) 0.629 109.320 ( 0.350 0.317 0.416) 0.629 109.382 ( 0.618 -0.868 -0.531) 1.190 109.382 ( 0.618 0.868 -0.531) 1.190 ======================= Grid point 133 (73/78) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 9.343 -4.612 -1.677) 10.554 3.103 ( 9.343 4.612 -1.677) 10.554 3.282 ( 14.128 -6.287 -1.562) 15.543 3.282 ( 14.128 6.287 -1.562) 15.543 3.520 ( 8.652 -5.408 -5.269) 11.484 3.520 ( 8.652 5.408 -5.269) 11.484 3.941 ( 11.743 -4.100 -5.086) 13.438 3.941 ( 11.743 4.100 -5.086) 13.438 4.063 ( -7.625 -10.525 11.329) 17.241 4.063 ( -7.625 10.525 11.329) 17.241 4.339 ( -0.198 -13.876 -0.279) 13.880 4.339 ( -0.198 13.876 -0.279) 13.880 4.449 ( 12.766 -1.441 -2.462) 13.081 4.449 ( 12.766 1.441 -2.462) 13.081 4.960 ( -1.202 -5.370 -4.426) 7.062 4.960 ( -1.202 5.370 -4.426) 7.062 5.135 ( -5.756 -5.249 1.749) 7.984 5.135 ( -5.756 5.249 1.749) 7.984 5.364 ( -3.049 -6.552 5.635) 9.164 5.364 ( -3.049 6.552 5.635) 9.164 5.623 ( -2.238 -7.862 -0.344) 8.181 5.623 ( -2.238 7.862 -0.344) 8.181 5.775 ( -6.096 -5.920 2.535) 8.867 5.775 ( -6.096 5.920 2.535) 8.867 5.911 ( 2.347 -2.111 2.338) 3.928 5.911 ( 2.347 2.111 2.338) 3.928 6.101 ( -2.781 -3.526 -4.804) 6.576 6.101 ( -2.781 3.526 -4.804) 6.576 6.197 ( 7.335 -7.626 -2.335) 10.836 6.197 ( 7.335 7.626 -2.335) 10.836 6.358 ( -0.513 -3.931 -1.261) 4.160 6.358 ( -0.513 3.931 -1.261) 4.160 6.617 ( -5.201 -3.958 1.945) 6.819 6.617 ( -5.201 3.958 1.945) 6.819 6.789 ( -1.475 -4.793 -2.871) 5.778 6.789 ( -1.475 4.793 -2.871) 5.778 6.973 ( -4.036 -4.071 3.314) 6.622 6.973 ( -4.036 4.071 3.314) 6.622 7.067 ( -1.051 -0.218 -2.319) 2.555 7.067 ( -1.051 0.218 -2.319) 2.555 7.458 ( 4.317 -8.861 1.260) 9.937 7.458 ( 4.317 8.861 1.260) 9.937 7.516 ( 4.013 -1.943 -4.036) 6.015 7.516 ( 4.013 1.943 -4.036) 6.015 7.773 ( -4.572 -2.135 4.134) 6.523 7.773 ( -4.572 2.135 4.134) 6.523 8.049 ( 3.457 -6.227 -1.381) 7.255 8.049 ( 3.457 6.227 -1.381) 7.255 8.197 ( -1.657 -4.670 1.379) 5.144 8.197 ( -1.657 4.670 1.379) 5.144 8.412 ( 1.412 -4.598 3.751) 6.099 8.412 ( 1.412 4.598 3.751) 6.099 8.555 ( -2.166 -6.961 -4.779) 8.716 8.555 ( -2.166 6.961 -4.779) 8.716 8.764 ( -2.877 -5.599 1.956) 6.592 8.764 ( -2.877 5.599 1.956) 6.592 9.070 ( -4.564 -5.412 -4.583) 8.434 9.070 ( -4.564 5.412 -4.583) 8.434 9.181 ( -1.643 -2.224 0.914) 2.913 9.181 ( -1.643 2.224 0.914) 2.913 9.426 ( 1.615 -1.830 -0.729) 2.547 9.426 ( 1.615 1.830 -0.729) 2.547 9.559 ( 3.683 -5.604 -0.831) 6.757 9.559 ( 3.683 5.604 -0.831) 6.757 9.610 ( -2.140 -2.722 1.792) 3.899 9.610 ( -2.140 2.722 1.792) 3.899 9.827 ( -2.324 -4.334 -0.810) 4.984 9.827 ( -2.324 4.334 -0.810) 4.984 10.248 ( -0.796 -5.696 3.012) 6.492 10.248 ( -0.796 5.696 3.012) 6.492 10.410 ( -1.066 -4.170 -0.938) 4.405 10.410 ( -1.066 4.170 -0.938) 4.405 10.555 ( 5.926 -1.535 0.134) 6.123 10.555 ( 5.926 1.535 0.134) 6.123 10.748 ( 2.481 -0.958 3.606) 4.481 10.748 ( 2.481 0.958 3.606) 4.481 11.000 ( -0.913 -3.168 2.623) 4.212 11.000 ( -0.913 3.168 2.623) 4.212 11.117 ( -2.252 -3.989 -1.823) 4.930 11.117 ( -2.252 3.989 -1.823) 4.930 11.389 ( 0.082 -2.575 -1.698) 3.085 11.389 ( 0.082 2.575 -1.698) 3.085 11.705 ( -0.874 -1.668 -3.539) 4.009 11.705 ( -0.874 1.668 -3.539) 4.009 11.937 ( -0.513 -3.732 1.181) 3.948 11.937 ( -0.513 3.732 1.181) 3.948 12.103 ( -0.848 -4.362 0.459) 4.467 12.103 ( -0.848 4.362 0.459) 4.467 12.206 ( -8.478 -3.912 1.621) 9.476 12.206 ( -8.478 3.912 1.621) 9.476 12.534 ( 2.693 -4.454 -1.073) 5.315 12.534 ( 2.693 4.454 -1.073) 5.315 12.608 ( 0.646 -2.890 -4.097) 5.055 12.608 ( 0.646 2.890 -4.097) 5.055 12.861 ( -3.347 -4.496 -2.526) 6.148 12.861 ( -3.347 4.496 -2.526) 6.148 12.987 ( 3.891 -2.607 0.884) 4.766 12.987 ( 3.891 2.607 0.884) 4.766 13.407 ( 2.746 -7.305 -3.382) 8.505 13.407 ( 2.746 7.305 -3.382) 8.505 13.525 ( 1.643 -4.058 5.368) 6.927 13.525 ( 1.643 4.058 5.368) 6.927 13.796 ( -1.298 -4.792 -1.029) 5.071 13.796 ( -1.298 4.792 -1.029) 5.071 14.109 ( -0.315 -3.096 1.294) 3.371 14.109 ( -0.315 3.096 1.294) 3.371 14.433 ( -0.368 -6.365 1.782) 6.620 14.433 ( -0.368 6.365 1.782) 6.620 14.716 ( 2.295 -2.726 1.090) 3.726 14.716 ( 2.295 2.726 1.090) 3.726 15.162 ( -2.387 -5.438 -0.543) 5.964 15.162 ( -2.387 5.438 -0.543) 5.964 15.285 ( 4.189 -2.206 2.007) 5.142 15.285 ( 4.189 2.206 2.007) 5.142 15.372 ( 0.680 -2.204 -1.028) 2.525 15.372 ( 0.680 2.204 -1.028) 2.525 15.703 ( -3.260 -0.516 -1.486) 3.620 15.703 ( -3.260 0.516 -1.486) 3.620 16.101 ( 6.506 -6.288 -4.590) 10.146 16.101 ( 6.506 6.288 -4.590) 10.146 16.215 ( -3.265 -3.151 3.811) 5.926 16.215 ( -3.265 3.151 3.811) 5.926 16.493 ( 2.505 -3.484 2.396) 4.914 16.493 ( 2.505 3.484 2.396) 4.914 16.637 ( 2.249 -5.079 -2.339) 6.027 16.637 ( 2.249 5.079 -2.339) 6.027 16.851 ( 3.659 -4.330 -1.237) 5.802 16.851 ( 3.659 4.330 -1.237) 5.802 17.010 ( -4.767 -1.400 2.116) 5.400 17.010 ( -4.767 1.400 2.116) 5.400 17.355 ( -2.340 -6.316 0.351) 6.745 17.355 ( -2.340 6.316 0.351) 6.745 17.597 ( -2.173 -2.175 0.493) 3.114 17.597 ( -2.173 2.175 0.493) 3.114 19.372 ( -2.156 -2.051 -1.711) 3.433 19.372 ( -2.156 2.051 -1.711) 3.433 19.891 ( 1.104 -3.230 2.859) 4.453 19.891 ( 1.104 3.230 2.859) 4.453 21.295 ( 1.406 -0.832 1.650) 2.322 21.295 ( 1.406 0.832 1.650) 2.322 21.422 ( -1.900 -1.882 -0.483) 2.718 21.422 ( -1.900 1.882 -0.483) 2.718 22.415 ( -3.017 -12.751 1.520) 13.191 22.415 ( -3.017 12.751 1.520) 13.191 22.460 ( -1.367 -13.992 -1.122) 14.103 22.460 ( -1.367 13.992 -1.122) 14.103 24.652 ( 1.252 -0.187 2.112) 2.462 24.652 ( 1.252 0.187 2.112) 2.462 24.729 ( 3.349 -1.420 -3.004) 4.718 24.729 ( 3.349 1.420 -3.004) 4.718 25.243 ( -3.072 -4.872 1.374) 5.921 25.243 ( -3.072 4.872 1.374) 5.921 25.452 ( -1.048 -4.340 -1.261) 4.639 25.452 ( -1.048 4.340 -1.261) 4.639 26.670 ( -2.239 -0.925 -4.165) 4.818 26.670 ( -2.239 0.925 -4.165) 4.818 27.105 ( -2.082 -0.915 1.299) 2.618 27.105 ( -2.082 0.915 1.299) 2.618 27.786 ( -1.661 -0.820 -3.046) 3.565 27.786 ( -1.661 0.820 -3.046) 3.565 28.159 ( -0.717 -1.196 3.914) 4.155 28.159 ( -0.717 1.196 3.914) 4.155 28.652 ( -3.260 -2.244 7.100) 8.129 28.652 ( -3.260 2.244 7.100) 8.129 28.864 ( 0.239 -1.510 -4.575) 4.824 28.864 ( 0.239 1.510 -4.575) 4.824 30.024 ( 5.443 -1.314 -1.757) 5.868 30.024 ( 5.443 1.314 -1.757) 5.868 30.223 ( 5.236 -2.634 -0.412) 5.876 30.223 ( 5.236 2.634 -0.412) 5.876 30.897 ( 3.292 -2.169 -0.445) 3.967 30.897 ( 3.292 2.169 -0.445) 3.967 31.532 ( 3.108 -2.134 -0.700) 3.835 31.532 ( 3.108 2.134 -0.700) 3.835 32.133 ( 2.499 -4.371 -0.853) 5.106 32.133 ( 2.499 4.371 -0.853) 5.106 32.243 ( -4.078 -3.283 3.339) 6.209 32.243 ( -4.078 3.283 3.339) 6.209 32.610 ( 0.050 -2.732 2.000) 3.386 32.610 ( 0.050 2.732 2.000) 3.386 32.799 ( -1.961 -0.502 -1.625) 2.596 32.799 ( -1.961 0.502 -1.625) 2.596 99.278 ( 0.450 -0.171 0.868) 0.992 99.278 ( 0.450 0.171 0.868) 0.992 99.373 ( -1.263 -0.835 -0.895) 1.760 99.373 ( -1.263 0.835 -0.895) 1.760 102.302 ( -1.134 -0.914 1.606) 2.168 102.302 ( -1.134 0.914 1.606) 2.168 102.463 ( -0.877 -0.559 -1.765) 2.048 102.463 ( -0.877 0.559 -1.765) 2.048 107.366 ( 0.504 -0.399 0.746) 0.985 107.366 ( 0.504 0.399 0.746) 0.985 107.435 ( -0.088 -0.572 -0.562) 0.807 107.435 ( -0.088 0.572 -0.562) 0.807 109.329 ( 0.207 -0.266 0.457) 0.568 109.329 ( 0.207 0.266 0.457) 0.568 109.388 ( 0.381 -0.696 -0.446) 0.910 109.388 ( 0.381 0.696 -0.446) 0.910 ======================= Grid point 135 (74/78) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -3.489 -4.061 2.087) 5.747 3.195 ( -3.489 4.061 2.087) 5.747 3.348 ( 0.542 -3.418 0.375) 3.481 3.348 ( 0.542 3.418 0.375) 3.481 3.774 ( -9.626 -6.581 0.903) 11.696 3.774 ( -9.626 6.581 0.903) 11.696 3.868 ( 9.573 -7.239 -2.812) 12.327 3.868 ( 9.573 7.239 -2.812) 12.327 4.015 ( 3.281 -1.640 -4.801) 6.042 4.015 ( 3.281 1.640 -4.801) 6.042 4.418 ( 2.854 -6.224 -0.440) 6.861 4.418 ( 2.854 6.224 -0.440) 6.861 4.529 ( -0.037 -5.824 -2.181) 6.219 4.529 ( -0.037 5.824 -2.181) 6.219 4.971 ( -11.901 -9.135 5.202) 15.879 4.971 ( -11.901 9.135 5.202) 15.879 5.087 ( 12.196 -4.643 -5.047) 13.992 5.087 ( 12.196 4.643 -5.047) 13.992 5.387 ( 1.203 -10.504 6.180) 12.247 5.387 ( 1.203 10.504 6.180) 12.247 5.493 ( -4.978 -11.867 -2.346) 13.081 5.493 ( -4.978 11.867 -2.346) 13.081 5.769 ( 0.856 -1.845 2.985) 3.612 5.769 ( 0.856 1.845 2.985) 3.612 5.981 ( 2.138 -4.939 -0.680) 5.425 5.981 ( 2.138 4.939 -0.680) 5.425 6.021 ( -0.447 -1.929 -2.146) 2.920 6.021 ( -0.447 1.929 -2.146) 2.920 6.255 ( -2.289 -10.928 1.331) 11.244 6.255 ( -2.289 10.928 1.331) 11.245 6.333 ( 2.104 -9.722 -4.132) 10.771 6.333 ( 2.104 9.722 -4.132) 10.771 6.584 ( -1.677 -5.298 3.186) 6.406 6.584 ( -1.677 5.298 3.186) 6.406 6.747 ( -1.282 -3.397 -1.388) 3.887 6.747 ( -1.282 3.397 -1.388) 3.887 6.894 ( -7.205 -3.937 7.623) 11.204 6.894 ( -7.205 3.937 7.623) 11.204 7.075 ( 7.426 -3.567 -8.373) 11.746 7.075 ( 7.426 3.567 -8.373) 11.746 7.539 ( 2.098 -4.095 0.654) 4.648 7.539 ( 2.098 4.095 0.654) 4.648 7.591 ( 0.353 -3.396 0.563) 3.460 7.591 ( 0.353 3.396 0.563) 3.460 7.726 ( -0.780 -4.421 0.923) 4.583 7.726 ( -0.780 4.421 0.923) 4.583 8.031 ( -4.486 -5.889 2.394) 7.780 8.031 ( -4.486 5.889 2.394) 7.780 8.190 ( 0.820 -3.819 -0.259) 3.915 8.190 ( 0.820 3.819 -0.259) 3.915 8.449 ( -0.713 -2.113 -0.282) 2.247 8.449 ( -0.713 2.113 -0.282) 2.247 8.501 ( 0.726 -3.039 0.073) 3.126 8.501 ( 0.726 3.039 0.073) 3.126 8.786 ( 4.098 -7.539 1.042) 8.644 8.786 ( 4.098 7.539 1.042) 8.644 8.955 ( -1.372 -4.908 -7.577) 9.131 8.955 ( -1.372 4.908 -7.577) 9.131 9.166 ( -1.650 -1.644 1.844) 2.971 9.166 ( -1.650 1.644 1.844) 2.971 9.424 ( -0.010 -3.518 -1.096) 3.684 9.424 ( -0.010 3.518 -1.096) 3.684 9.580 ( -2.904 -5.168 2.846) 6.576 9.580 ( -2.904 5.168 2.846) 6.576 9.655 ( 5.893 -8.379 -2.331) 10.505 9.655 ( 5.893 8.379 -2.331) 10.505 9.807 ( -0.800 -2.486 0.905) 2.764 9.807 ( -0.800 2.486 0.905) 2.764 10.251 ( -0.160 -2.535 2.975) 3.912 10.251 ( -0.160 2.535 2.975) 3.912 10.381 ( -0.375 -1.064 -2.684) 2.911 10.381 ( -0.375 1.064 -2.684) 2.911 10.659 ( 1.645 -0.609 2.174) 2.793 10.659 ( 1.645 0.609 2.174) 2.793 10.799 ( 0.676 -0.806 0.302) 1.094 10.799 ( 0.676 0.806 0.302) 1.094 10.990 ( -2.151 -1.988 3.912) 4.887 10.990 ( -2.151 1.988 3.912) 4.887 11.066 ( 0.228 -4.155 -3.442) 5.401 11.066 ( 0.228 4.155 -3.442) 5.401 11.402 ( 0.585 -0.747 2.119) 2.322 11.402 ( 0.585 0.747 2.119) 2.322 11.638 ( -1.923 -2.277 -3.483) 4.584 11.638 ( -1.923 2.277 -3.483) 4.584 11.949 ( -2.069 -1.621 3.410) 4.306 11.949 ( -2.069 1.621 3.410) 4.306 12.092 ( 0.369 -1.453 -0.623) 1.623 12.092 ( 0.369 1.453 -0.623) 1.623 12.127 ( 1.517 -0.822 -0.348) 1.760 12.127 ( 1.517 0.822 -0.348) 1.760 12.549 ( -0.902 -2.807 0.905) 3.085 12.549 ( -0.902 2.807 0.905) 3.085 12.635 ( 4.831 -0.315 -5.370) 7.230 12.635 ( 4.831 0.315 -5.370) 7.230 12.745 ( -2.638 -1.163 -4.996) 5.768 12.745 ( -2.638 1.163 -4.996) 5.768 13.084 ( 1.104 -3.902 4.938) 6.390 13.084 ( 1.104 3.902 4.938) 6.390 13.391 ( -0.035 -5.398 -4.844) 7.253 13.391 ( -0.035 5.398 -4.844) 7.253 13.620 ( 1.821 -5.210 7.160) 9.040 13.620 ( 1.821 5.210 7.160) 9.040 13.745 ( -2.315 -4.001 -3.570) 5.841 13.745 ( -2.315 4.001 -3.570) 5.841 14.098 ( -1.390 -1.358 0.945) 2.161 14.098 ( -1.390 1.358 0.945) 2.161 14.435 ( 0.360 -2.162 1.574) 2.699 14.435 ( 0.360 2.162 1.574) 2.699 14.752 ( 0.267 -2.991 0.919) 3.141 14.752 ( 0.267 2.991 0.919) 3.141 15.128 ( -0.801 -2.993 0.157) 3.102 15.128 ( -0.801 2.993 0.157) 3.102 15.319 ( -0.146 -2.667 -1.680) 3.156 15.319 ( -0.146 2.667 -1.680) 3.156 15.421 ( 0.486 -3.827 3.496) 5.206 15.421 ( 0.486 3.827 3.496) 5.206 15.644 ( 0.011 -0.934 -1.964) 2.174 15.644 ( 0.011 0.934 -1.964) 2.174 16.109 ( -4.520 -2.858 1.395) 5.527 16.109 ( -4.520 2.858 1.395) 5.527 16.235 ( 4.279 -4.799 -1.430) 6.587 16.235 ( 4.279 4.799 -1.430) 6.587 16.552 ( 1.117 -7.246 2.921) 7.892 16.552 ( 1.117 7.246 2.921) 7.892 16.635 ( 0.030 -5.504 -4.061) 6.840 16.635 ( 0.030 5.504 -4.061) 6.840 16.890 ( -3.789 -3.392 3.813) 6.356 16.890 ( -3.789 3.392 3.813) 6.356 16.975 ( 4.793 -4.016 -3.509) 7.170 16.975 ( 4.793 4.016 -3.509) 7.170 17.335 ( 0.272 -2.131 -0.283) 2.167 17.335 ( 0.272 2.131 -0.283) 2.167 17.562 ( -1.737 -2.062 1.216) 2.958 17.562 ( -1.737 2.062 1.216) 2.958 19.335 ( -0.300 -1.186 -0.929) 1.536 19.335 ( -0.300 1.186 -0.929) 1.536 19.929 ( 0.662 -0.459 1.485) 1.689 19.929 ( 0.662 0.459 1.485) 1.689 21.330 ( 0.951 -1.074 0.828) 1.657 21.330 ( 0.951 1.074 0.828) 1.657 21.390 ( -0.776 -0.896 -0.290) 1.220 21.390 ( -0.776 0.896 -0.290) 1.220 22.374 ( -1.098 -6.484 0.684) 6.611 22.374 ( -1.098 6.484 0.684) 6.611 22.457 ( 0.928 -6.815 -0.478) 6.894 22.457 ( 0.928 6.815 -0.478) 6.894 24.678 ( -0.675 -0.273 2.530) 2.632 24.678 ( -0.675 0.273 2.530) 2.632 24.743 ( 1.179 -1.216 -3.480) 3.870 24.743 ( 1.179 1.216 -3.480) 3.870 25.218 ( -0.583 -1.523 1.261) 2.061 25.218 ( -0.583 1.523 1.261) 2.061 25.435 ( 0.073 -0.934 -0.799) 1.232 25.435 ( 0.073 0.934 -0.799) 1.232 26.616 ( -0.560 -0.572 -2.262) 2.400 26.616 ( -0.560 0.572 -2.262) 2.400 27.091 ( -0.341 -0.167 1.014) 1.083 27.091 ( -0.341 0.167 1.014) 1.083 27.750 ( -0.206 -0.755 -1.372) 1.580 27.750 ( -0.206 0.755 -1.372) 1.580 28.178 ( 0.325 -0.783 1.848) 2.034 28.178 ( 0.325 0.783 1.848) 2.034 28.667 ( -1.675 -1.378 7.422) 7.733 28.667 ( -1.675 1.378 7.422) 7.733 28.841 ( 1.871 -2.425 -5.683) 6.455 28.841 ( 1.871 2.425 -5.683) 6.455 30.065 ( -0.367 -1.140 -0.822) 1.453 30.065 ( -0.367 1.140 -0.822) 1.453 30.271 ( 0.424 -1.151 -0.422) 1.297 30.271 ( 0.424 1.151 -0.422) 1.297 30.927 ( 0.217 -1.761 -0.710) 1.911 30.927 ( 0.217 1.761 -0.710) 1.911 31.554 ( -0.261 -0.604 -0.273) 0.712 31.554 ( -0.261 0.604 -0.273) 0.712 32.164 ( -2.368 -3.022 1.836) 4.256 32.164 ( -2.368 3.022 1.836) 4.256 32.212 ( 2.435 -2.333 -0.603) 3.426 32.212 ( 2.435 2.333 -0.603) 3.426 32.660 ( 2.215 -3.598 3.681) 5.604 32.660 ( 2.215 3.598 3.681) 5.604 32.737 ( -2.032 -2.219 -3.458) 4.584 32.737 ( -2.032 2.219 -3.458) 4.584 99.293 ( 0.268 -0.258 0.757) 0.843 99.293 ( 0.268 0.258 0.757) 0.843 99.349 ( -0.396 -0.203 -0.719) 0.845 99.349 ( -0.396 0.203 -0.719) 0.845 102.301 ( -0.296 -0.060 1.309) 1.344 102.301 ( -0.296 0.060 1.309) 1.344 102.442 ( 0.049 -0.101 -1.277) 1.282 102.442 ( 0.049 0.101 -1.277) 1.282 107.380 ( 0.171 -0.231 0.673) 0.732 107.380 ( 0.171 0.231 0.673) 0.732 107.427 ( -0.140 -0.278 -0.599) 0.675 107.427 ( -0.140 0.278 -0.599) 0.675 109.335 ( 0.018 -0.180 0.310) 0.359 109.335 ( 0.018 0.180 0.310) 0.359 109.389 ( 0.034 -0.518 -0.322) 0.610 109.389 ( 0.034 0.518 -0.322) 0.610 ======================= Grid point 137 (75/78) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -15.107 -6.055 5.348) 17.131 3.020 ( -15.107 6.055 5.348) 17.131 3.215 ( -22.079 -11.921 2.045) 25.175 3.215 ( -22.079 11.921 2.045) 25.175 3.524 ( -0.792 -4.228 -3.110) 5.308 3.524 ( -0.792 4.228 -3.110) 5.308 3.894 ( -10.698 -2.883 -0.557) 11.093 3.894 ( -10.698 2.883 -0.557) 11.093 4.185 ( 7.900 -3.318 -0.508) 8.583 4.185 ( 7.900 3.318 -0.508) 8.583 4.388 ( 3.840 -10.500 -4.165) 11.930 4.388 ( 3.840 10.500 -4.165) 11.930 4.508 ( -3.198 -4.371 -6.271) 8.286 4.508 ( -3.198 4.371 -6.271) 8.286 4.869 ( 1.472 -14.993 2.683) 15.303 4.869 ( 1.472 14.993 2.683) 15.303 5.162 ( -1.105 -4.103 0.580) 4.288 5.162 ( -1.105 4.103 0.580) 4.288 5.410 ( 0.472 -6.209 0.849) 6.285 5.410 ( 0.472 6.209 0.849) 6.285 5.554 ( 3.347 -4.755 1.693) 6.056 5.554 ( 3.347 4.755 1.693) 6.056 5.805 ( 0.260 -4.174 2.283) 4.765 5.805 ( 0.260 4.174 2.283) 4.765 5.988 ( 1.179 -6.489 -1.990) 6.889 5.988 ( 1.179 6.489 -1.990) 6.889 6.044 ( 1.940 -1.269 -1.184) 2.603 6.044 ( 1.940 1.269 -1.184) 2.603 6.202 ( -2.241 -4.309 -0.685) 4.905 6.202 ( -2.241 4.309 -0.685) 4.905 6.322 ( 0.385 -0.715 0.056) 0.814 6.322 ( 0.385 0.715 0.056) 0.814 6.628 ( 3.859 -4.102 3.430) 6.594 6.628 ( 3.859 4.102 3.430) 6.594 6.706 ( -3.410 -7.097 1.242) 7.971 6.706 ( -3.410 7.097 1.242) 7.971 6.876 ( -0.082 -2.611 5.975) 6.522 6.876 ( -0.082 2.611 5.975) 6.522 7.184 ( 9.183 -2.311 -7.461) 12.055 7.184 ( 9.183 2.311 -7.461) 12.055 7.488 ( -4.127 -8.449 -3.021) 9.876 7.488 ( -4.127 8.449 -3.021) 9.876 7.532 ( -4.055 -7.740 -1.768) 8.915 7.532 ( -4.055 7.740 -1.768) 8.915 7.773 ( 2.286 -4.277 3.127) 5.770 7.773 ( 2.286 4.277 3.127) 5.770 7.976 ( -4.338 -5.545 5.169) 8.734 7.976 ( -4.338 5.545 5.169) 8.734 8.215 ( 0.593 -5.411 -0.979) 5.531 8.215 ( 0.593 5.411 -0.979) 5.531 8.442 ( 1.542 -2.914 1.130) 3.485 8.442 ( 1.542 2.914 1.130) 3.485 8.527 ( 0.941 -3.146 -0.710) 3.359 8.527 ( 0.941 3.146 -0.710) 3.359 8.871 ( 3.807 -1.554 -7.346) 8.419 8.871 ( 3.807 1.554 -7.346) 8.419 8.955 ( 5.396 -1.122 3.659) 6.615 8.955 ( 5.396 1.122 3.659) 6.615 9.146 ( -1.351 -4.740 2.868) 5.702 9.146 ( -1.351 4.740 2.868) 5.702 9.420 ( -0.247 -6.033 -0.693) 6.078 9.420 ( -0.247 6.033 -0.693) 6.078 9.546 ( -1.566 -4.734 0.928) 5.072 9.546 ( -1.566 4.734 0.928) 5.072 9.702 ( -0.056 -3.165 -3.901) 5.024 9.702 ( -0.056 3.165 -3.901) 5.024 9.819 ( 3.858 -7.082 -0.107) 8.065 9.819 ( 3.858 7.082 -0.107) 8.065 10.275 ( -0.871 -4.321 0.558) 4.443 10.275 ( -0.871 4.321 0.558) 4.443 10.379 ( 1.797 -2.679 1.134) 3.420 10.379 ( 1.797 2.679 1.134) 3.420 10.598 ( -5.212 -4.073 -3.068) 7.292 10.598 ( -5.212 4.073 -3.068) 7.292 10.796 ( -1.615 -0.453 -0.305) 1.705 10.796 ( -1.615 0.453 -0.305) 1.705 11.001 ( -0.994 -2.095 1.536) 2.782 11.001 ( -0.994 2.095 1.536) 2.782 11.095 ( 4.279 -0.911 0.840) 4.454 11.095 ( 4.279 0.911 0.840) 4.454 11.379 ( -3.048 -3.363 -0.528) 4.569 11.379 ( -3.048 3.363 -0.528) 4.569 11.637 ( 1.693 -2.285 1.730) 3.329 11.637 ( 1.693 2.285 1.730) 3.329 11.924 ( -1.611 -4.220 2.524) 5.174 11.924 ( -1.611 4.220 2.524) 5.174 12.120 ( 2.686 -1.444 -1.327) 3.326 12.120 ( 2.686 1.444 -1.327) 3.326 12.230 ( 7.663 -2.914 0.130) 8.199 12.230 ( 7.663 2.914 0.130) 8.199 12.531 ( -1.974 -1.487 0.002) 2.472 12.531 ( -1.974 1.487 0.002) 2.472 12.607 ( 0.051 -2.525 -4.183) 4.886 12.607 ( 0.051 2.525 -4.183) 4.886 12.778 ( 5.640 -1.267 0.471) 5.799 12.778 ( 5.640 1.267 0.471) 5.799 13.062 ( -4.441 -3.791 -1.292) 5.980 13.062 ( -4.441 3.791 -1.292) 5.980 13.366 ( -0.082 -4.874 -0.789) 4.938 13.366 ( -0.082 4.874 -0.789) 4.938 13.633 ( -3.779 -3.942 -3.774) 6.638 13.633 ( -3.779 3.942 -3.774) 6.638 13.711 ( 0.011 -4.480 5.627) 7.193 13.711 ( 0.011 4.480 5.627) 7.193 14.089 ( -0.974 -2.470 2.549) 3.681 14.089 ( -0.974 2.470 2.549) 3.681 14.472 ( 2.348 -3.350 -0.658) 4.144 14.472 ( 2.348 3.350 -0.658) 4.144 14.739 ( -2.100 -4.689 -0.506) 5.163 14.739 ( -2.100 4.689 -0.506) 5.163 15.133 ( 0.485 -3.524 1.752) 3.965 15.133 ( 0.485 3.524 1.752) 3.965 15.278 ( -3.630 -4.219 0.108) 5.567 15.278 ( -3.630 4.219 0.108) 5.567 15.391 ( -3.110 -2.839 -0.411) 4.231 15.391 ( -3.110 2.839 -0.411) 4.231 15.690 ( 4.370 -2.955 -0.269) 5.282 15.690 ( 4.370 2.955 -0.269) 5.282 16.008 ( -7.347 -4.322 3.089) 9.066 16.008 ( -7.347 4.322 3.089) 9.066 16.295 ( 3.360 -6.059 -3.008) 7.553 16.295 ( 3.360 6.059 -3.008) 7.553 16.566 ( -3.507 -1.751 -2.773) 4.801 16.566 ( -3.507 1.751 -2.773) 4.801 16.586 ( 0.302 -7.605 1.256) 7.714 16.586 ( 0.302 7.605 1.256) 7.714 16.834 ( -2.098 -6.321 0.050) 6.660 16.834 ( -2.098 6.321 0.050) 6.660 17.063 ( 4.829 -1.795 -2.427) 5.695 17.063 ( 4.829 1.795 -2.427) 5.695 17.363 ( 3.118 -3.916 -0.463) 5.027 17.363 ( 3.118 3.916 -0.463) 5.027 17.565 ( 0.076 -4.943 3.435) 6.020 17.565 ( 0.076 4.943 3.435) 6.020 19.348 ( 1.845 -0.839 0.325) 2.052 19.348 ( 1.845 0.839 0.325) 2.052 19.936 ( -0.034 -3.387 -0.921) 3.511 19.936 ( -0.034 3.387 -0.921) 3.511 21.333 ( -0.259 -0.142 -1.642) 1.668 21.333 ( -0.259 0.142 -1.642) 1.668 21.401 ( 1.318 -1.685 1.392) 2.553 21.401 ( 1.318 1.685 1.392) 2.553 22.396 ( 2.007 -6.732 2.165) 7.351 22.396 ( 2.007 6.732 2.165) 7.351 22.480 ( 2.446 -8.419 -1.825) 8.955 22.480 ( 2.446 8.419 -1.825) 8.955 24.662 ( -3.123 -0.587 1.988) 3.748 24.662 ( -3.123 0.587 1.988) 3.748 24.722 ( -0.409 -0.999 -3.177) 3.355 24.722 ( -0.409 0.999 -3.177) 3.355 25.244 ( 2.211 -1.569 1.431) 3.065 25.244 ( 2.211 1.569 1.431) 3.065 25.439 ( 0.780 -2.260 -0.303) 2.410 25.439 ( 0.780 2.260 -0.303) 2.410 26.613 ( 1.021 -0.233 0.658) 1.237 26.613 ( 1.021 0.233 0.658) 1.237 27.109 ( 1.418 -0.608 0.834) 1.754 27.109 ( 1.418 0.608 0.834) 1.754 27.753 ( 1.125 -0.746 0.057) 1.351 27.753 ( 1.125 0.746 0.057) 1.351 28.202 ( 1.318 -2.929 -0.204) 3.219 28.202 ( 1.318 2.929 -0.204) 3.219 28.705 ( -0.259 -1.646 5.302) 5.558 28.705 ( -0.259 1.646 5.302) 5.558 28.843 ( 3.409 -4.080 -5.322) 7.522 28.843 ( 3.409 4.080 -5.322) 7.522 29.996 ( -6.403 -0.638 0.586) 6.461 29.996 ( -6.403 0.638 0.586) 6.461 30.231 ( -4.511 -1.729 -1.014) 4.936 30.231 ( -4.511 1.729 -1.014) 4.936 30.898 ( -2.342 -1.496 -0.522) 2.828 30.898 ( -2.342 1.496 -0.522) 2.828 31.520 ( -3.451 -3.334 0.391) 4.814 31.520 ( -3.451 3.334 0.391) 4.814 32.110 ( -3.459 -4.748 1.263) 6.008 32.110 ( -3.459 4.748 1.263) 6.008 32.293 ( 5.509 -2.139 -1.082) 6.008 32.293 ( 5.509 2.139 -1.082) 6.008 32.667 ( -1.585 -2.699 -2.962) 4.309 32.667 ( -1.585 2.699 -2.962) 4.309 32.751 ( 3.831 -1.893 2.665) 5.037 32.751 ( 3.831 1.893 2.665) 5.037 99.294 ( -0.344 -0.613 -0.362) 0.791 99.294 ( -0.344 0.613 -0.362) 0.791 99.354 ( 0.928 -0.617 0.636) 1.283 99.354 ( 0.928 0.617 0.636) 1.283 102.313 ( 0.590 -1.293 0.960) 1.715 102.313 ( 0.590 1.293 0.960) 1.715 102.444 ( 0.893 -1.295 -0.431) 1.631 102.444 ( 0.893 1.295 -0.431) 1.631 107.379 ( -0.509 -0.239 -0.211) 0.601 107.379 ( -0.509 0.239 -0.211) 0.601 107.425 ( 0.218 -0.296 0.164) 0.403 107.425 ( 0.218 0.296 0.164) 0.403 109.335 ( -0.138 -0.055 0.034) 0.153 109.335 ( -0.138 0.055 0.034) 0.153 109.384 ( -0.363 -0.303 -0.146) 0.495 109.384 ( -0.363 0.303 -0.146) 0.495 ======================= Grid point 139 (76/78) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -27.730 -11.653 11.353) 32.150 2.696 ( -27.730 11.653 11.353) 32.150 2.839 ( -15.783 -5.141 5.357) 17.442 2.839 ( -15.783 5.141 5.357) 17.442 3.367 ( -12.472 -6.210 -4.119) 14.528 3.367 ( -12.472 6.210 -4.119) 14.528 3.787 ( 2.526 -5.899 0.293) 6.424 3.787 ( 2.526 5.899 0.293) 6.424 4.160 ( -7.886 -0.985 -5.644) 9.747 4.160 ( -7.886 0.985 -5.644) 9.747 4.362 ( 1.739 -5.289 -9.334) 10.869 4.362 ( 1.739 5.289 -9.334) 10.869 4.522 ( 8.044 -16.439 -7.659) 19.839 4.522 ( 8.044 16.439 -7.659) 19.839 4.858 ( -9.005 -3.116 6.056) 11.290 4.858 ( -9.005 3.116 6.056) 11.290 5.179 ( 1.858 -0.208 2.416) 3.055 5.179 ( 1.858 0.208 2.416) 3.055 5.391 ( -8.378 -9.374 3.895) 13.162 5.391 ( -8.378 9.374 3.895) 13.162 5.609 ( 6.132 -2.009 -1.129) 6.551 5.609 ( 6.132 2.009 -1.129) 6.551 5.803 ( -4.186 -5.030 2.046) 6.857 5.803 ( -4.186 5.030 2.046) 6.857 5.903 ( -3.885 -7.294 0.621) 8.288 5.903 ( -3.885 7.294 0.621) 8.288 6.095 ( 3.477 -1.037 3.045) 4.736 6.095 ( 3.477 1.037 3.045) 4.736 6.241 ( 7.231 -6.785 -7.002) 12.139 6.241 ( 7.231 6.785 -7.002) 12.139 6.366 ( 0.750 -2.723 -0.842) 2.948 6.366 ( 0.750 2.723 -0.842) 2.948 6.658 ( -3.065 -9.456 5.366) 11.296 6.658 ( -3.065 9.456 5.366) 11.296 6.722 ( 3.373 -3.331 0.830) 4.812 6.722 ( 3.373 3.331 0.830) 4.812 6.979 ( 3.028 -4.955 3.141) 6.602 6.979 ( 3.028 4.955 3.141) 6.602 7.216 ( 0.499 -4.531 -5.540) 7.174 7.216 ( 0.499 4.531 -5.540) 7.174 7.396 ( 1.932 -12.982 -3.691) 13.634 7.396 ( 1.932 12.982 -3.691) 13.634 7.548 ( 4.646 -1.790 2.072) 5.393 7.548 ( 4.646 1.790 2.072) 5.393 7.841 ( 2.537 -3.435 2.166) 4.788 7.841 ( 2.537 3.435 2.166) 4.788 7.941 ( -2.464 -7.776 2.409) 8.506 7.941 ( -2.464 7.776 2.409) 8.506 8.194 ( -1.516 -4.264 0.376) 4.541 8.194 ( -1.516 4.264 0.376) 4.541 8.459 ( -1.199 -3.657 -3.637) 5.295 8.459 ( -1.199 3.657 -3.637) 5.295 8.559 ( 3.777 -3.908 1.840) 5.738 8.559 ( 3.777 3.908 1.840) 5.738 8.870 ( 1.206 -3.983 -3.309) 5.317 8.870 ( 1.206 3.983 -3.309) 5.317 9.077 ( 1.489 -7.105 5.681) 9.218 9.077 ( 1.489 7.105 5.681) 9.218 9.196 ( 2.503 -5.414 2.498) 6.467 9.196 ( 2.503 5.414 2.498) 6.467 9.398 ( -0.115 -6.435 -0.897) 6.499 9.398 ( -0.115 6.435 -0.897) 6.499 9.547 ( 0.920 -3.263 -0.352) 3.408 9.547 ( 0.920 3.263 -0.352) 3.408 9.673 ( 1.742 -0.612 -1.031) 2.115 9.673 ( 1.742 0.612 -1.031) 2.115 9.923 ( 7.493 -8.207 -2.580) 11.409 9.923 ( 7.493 8.207 -2.580) 11.409 10.214 ( -5.459 -6.267 0.537) 8.329 10.214 ( -5.459 6.267 0.537) 8.329 10.401 ( -2.954 -0.271 1.284) 3.232 10.401 ( -2.954 0.271 1.284) 3.232 10.530 ( 2.646 -3.425 -2.738) 5.121 10.530 ( 2.646 3.425 -2.738) 5.121 10.716 ( -4.858 -3.247 -2.956) 6.549 10.716 ( -4.858 3.247 -2.956) 6.549 10.981 ( -1.738 -3.319 1.018) 3.882 10.981 ( -1.738 3.319 1.018) 3.882 11.175 ( 2.757 -4.142 -0.214) 4.980 11.175 ( 2.757 4.142 -0.214) 4.980 11.333 ( -2.034 -3.583 1.052) 4.252 11.333 ( -2.034 3.583 1.052) 4.252 11.683 ( 1.315 -1.554 2.691) 3.374 11.683 ( 1.315 1.554 2.691) 3.374 11.944 ( 1.447 -6.183 1.267) 6.475 11.944 ( 1.447 6.183 1.267) 6.475 12.147 ( 0.811 -3.324 -1.772) 3.853 12.147 ( 0.811 3.324 -1.772) 3.853 12.363 ( 4.958 -2.185 -0.287) 5.426 12.363 ( 4.958 2.185 -0.287) 5.426 12.490 ( -0.323 -4.165 -1.101) 4.321 12.490 ( -0.323 4.165 -1.101) 4.321 12.626 ( 1.567 -4.583 1.914) 5.208 12.626 ( 1.567 4.583 1.914) 5.208 12.887 ( 1.743 -4.641 1.425) 5.158 12.887 ( 1.743 4.641 1.425) 5.158 12.986 ( 3.533 -2.969 -4.183) 6.228 12.986 ( 3.533 2.969 -4.183) 6.228 13.346 ( -1.654 -6.060 -0.888) 6.344 13.346 ( -1.654 6.060 -0.888) 6.344 13.533 ( -2.656 -3.544 -2.870) 5.278 13.533 ( -2.656 3.544 -2.870) 5.278 13.754 ( -0.798 -3.477 6.759) 7.642 13.754 ( -0.798 3.477 6.759) 7.642 14.103 ( 0.224 -3.156 2.360) 3.947 14.103 ( 0.224 3.156 2.360) 3.947 14.473 ( -1.035 -5.420 -4.735) 7.271 14.473 ( -1.035 5.420 -4.735) 7.271 14.646 ( -6.584 -7.136 -1.804) 9.876 14.646 ( -6.584 7.136 -1.804) 9.876 15.165 ( -0.561 -4.780 2.673) 5.505 15.165 ( -0.561 4.780 2.673) 5.505 15.205 ( -2.857 -3.018 2.266) 4.733 15.205 ( -2.857 3.018 2.266) 4.733 15.352 ( -0.487 -3.042 0.410) 3.108 15.352 ( -0.487 3.042 0.410) 3.108 15.768 ( 3.633 -2.500 -0.611) 4.452 15.768 ( 3.633 2.500 -0.611) 4.452 15.900 ( -6.141 -2.934 3.370) 7.595 15.900 ( -6.141 2.934 3.370) 7.595 16.308 ( 0.385 -4.495 -1.902) 4.896 16.308 ( 0.385 4.495 -1.902) 4.896 16.463 ( -4.042 -3.572 -3.048) 6.196 16.463 ( -4.042 3.572 -3.048) 6.196 16.601 ( 0.348 -5.933 -0.183) 5.946 16.601 ( 0.348 5.933 -0.183) 5.946 16.820 ( 1.162 -6.268 -1.441) 6.535 16.820 ( 1.162 6.268 -1.441) 6.535 17.101 ( 1.290 -1.120 -1.035) 1.997 17.101 ( 1.290 1.120 -1.035) 1.997 17.443 ( 5.385 -7.559 -0.939) 9.329 17.443 ( 5.385 7.559 -0.939) 9.329 17.605 ( 0.353 -6.370 3.410) 7.234 17.605 ( 0.353 6.370 3.410) 7.234 19.404 ( 3.052 -1.211 1.202) 3.496 19.404 ( 3.052 1.211 1.202) 3.496 19.921 ( 0.568 -5.904 -3.208) 6.743 19.921 ( 0.568 5.904 -3.208) 6.743 21.300 ( -1.073 -0.393 -2.941) 3.156 21.300 ( -1.073 0.393 -2.941) 3.156 21.449 ( 2.226 -3.043 1.468) 4.046 21.449 ( 2.226 3.043 1.468) 4.046 22.463 ( 2.304 -11.680 1.339) 11.980 22.463 ( 2.304 11.680 1.339) 11.980 22.536 ( 5.796 -15.726 -1.617) 16.838 22.536 ( 5.796 15.726 -1.617) 16.838 24.597 ( -5.062 -0.807 1.696) 5.400 24.597 ( -5.062 0.807 1.696) 5.400 24.671 ( -2.106 -1.446 -3.231) 4.119 24.671 ( -2.106 1.446 -3.231) 4.119 25.326 ( 5.099 -6.275 0.838) 8.129 25.326 ( 5.099 6.275 0.838) 8.129 25.462 ( 1.414 -6.876 1.175) 7.117 25.462 ( 1.414 6.876 1.175) 7.117 26.668 ( 2.711 -0.459 4.012) 4.864 26.668 ( 2.711 0.459 4.012) 4.864 27.155 ( 2.596 -1.408 0.645) 3.023 27.155 ( 2.596 1.408 0.645) 3.023 27.794 ( 2.406 -0.748 1.752) 3.069 27.794 ( 2.406 0.748 1.752) 3.069 28.215 ( 0.777 -3.497 -2.125) 4.166 28.215 ( 0.777 3.497 -2.125) 4.166 28.736 ( 0.610 -1.322 0.843) 1.682 28.736 ( 0.610 1.322 0.843) 1.682 28.888 ( 4.690 -5.679 -2.432) 7.756 28.888 ( 4.690 5.679 -2.432) 7.756 29.847 ( -10.070 -1.105 2.374) 10.405 29.847 ( -10.070 1.105 2.374) 10.405 30.064 ( -11.959 -3.240 -1.322) 12.461 30.064 ( -11.959 3.240 -1.322) 12.461 30.845 ( -2.169 -0.805 -1.182) 2.598 30.845 ( -2.169 0.805 -1.182) 2.598 31.420 ( -7.722 -6.101 0.916) 9.884 31.420 ( -7.722 6.101 0.916) 9.884 32.065 ( -2.382 -6.910 1.684) 7.500 32.065 ( -2.382 6.910 1.684) 7.500 32.379 ( 4.634 -1.988 -3.235) 5.991 32.379 ( 4.634 1.988 -3.235) 5.991 32.637 ( 0.763 -1.491 -1.173) 2.045 32.637 ( 0.763 1.491 -1.173) 2.045 32.857 ( 6.031 -0.323 0.159) 6.042 32.857 ( 6.031 0.323 0.159) 6.042 99.280 ( -0.469 -0.646 -0.841) 1.160 99.280 ( -0.469 0.646 -0.841) 1.160 99.390 ( 1.814 -1.223 1.309) 2.550 99.390 ( 1.814 1.223 1.309) 2.550 102.339 ( 1.453 -2.584 0.421) 2.994 102.339 ( 1.453 2.584 0.421) 2.994 102.468 ( 1.437 -1.975 0.722) 2.547 102.468 ( 1.437 1.975 0.722) 2.547 107.361 ( -0.849 -0.573 -0.528) 1.152 107.361 ( -0.849 0.573 -0.528) 1.152 107.435 ( 0.516 -0.753 0.218) 0.939 107.435 ( 0.516 0.753 0.218) 0.939 109.330 ( -0.290 -0.138 -0.354) 0.478 109.330 ( -0.290 0.138 -0.354) 0.478 109.373 ( -0.687 -0.085 0.170) 0.713 109.373 ( -0.687 0.085 0.170) 0.713 ======================= Grid point 141 (77/78) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -25.051 -14.776 12.865) 31.803 2.272 ( -25.051 14.776 12.865) 31.803 2.617 ( -17.462 -16.809 17.374) 29.822 2.617 ( -17.462 16.809 17.374) 29.822 3.219 ( 3.515 -14.110 -6.959) 16.121 3.219 ( 3.515 14.110 -6.959) 16.121 3.796 ( -6.694 -3.411 -10.371) 12.806 3.796 ( -6.694 3.411 -10.371) 12.806 3.961 ( -0.469 -4.402 -3.163) 5.441 3.961 ( -0.469 4.402 -3.163) 5.441 4.251 ( 0.272 -8.755 -20.019) 21.852 4.251 ( 0.272 8.755 -20.019) 21.852 4.577 ( -5.249 -25.009 9.638) 27.311 4.577 ( -5.249 25.009 9.638) 27.311 4.751 ( -3.446 -9.776 3.527) 10.949 4.751 ( -3.446 9.776 3.527) 10.949 5.170 ( -10.535 -12.573 7.511) 18.041 5.170 ( -10.535 12.573 7.511) 18.041 5.269 ( -1.566 -1.950 3.645) 4.420 5.269 ( -1.566 1.950 3.645) 4.420 5.649 ( -1.359 -3.872 -8.420) 9.367 5.649 ( -1.359 3.872 -8.420) 9.367 5.754 ( 3.873 -3.275 0.419) 5.089 5.754 ( 3.873 3.275 0.419) 5.089 5.937 ( 0.191 -9.624 5.620) 11.147 5.937 ( 0.191 9.624 5.620) 11.147 6.182 ( 0.405 -7.934 -5.313) 9.557 6.182 ( 0.405 7.934 -5.313) 9.557 6.245 ( 1.501 -2.836 -3.042) 4.422 6.245 ( 1.501 2.836 -3.042) 4.422 6.383 ( 2.264 -12.589 2.624) 13.057 6.383 ( 2.264 12.589 2.624) 13.057 6.590 ( -4.386 -4.838 -5.502) 8.539 6.590 ( -4.386 4.838 -5.502) 8.539 6.798 ( 1.915 -3.106 1.595) 3.983 6.798 ( 1.915 3.106 1.595) 3.983 6.971 ( -2.860 -6.136 5.543) 8.750 6.971 ( -2.860 6.136 5.543) 8.750 7.250 ( 4.464 -7.507 -3.275) 9.328 7.250 ( 4.464 7.507 -3.275) 9.328 7.470 ( 7.582 -10.146 -4.309) 13.378 7.470 ( 7.582 10.146 -4.309) 13.378 7.671 ( 3.114 -1.367 4.691) 5.794 7.671 ( 3.114 1.367 4.691) 5.794 7.905 ( 2.393 -1.539 0.201) 2.852 7.905 ( 2.393 1.539 0.201) 2.852 7.949 ( 1.328 -9.860 3.455) 10.532 7.949 ( 1.328 9.860 3.455) 10.532 8.179 ( -1.657 -7.011 1.624) 7.385 8.179 ( -1.657 7.011 1.624) 7.385 8.394 ( 0.100 -1.712 -2.926) 3.392 8.394 ( 0.100 1.712 -2.926) 3.392 8.674 ( 7.662 -4.773 -2.927) 9.490 8.674 ( 7.662 4.773 -2.927) 9.490 8.889 ( 1.445 -1.238 3.386) 3.884 8.889 ( 1.445 1.238 3.386) 3.884 9.090 ( -3.392 -6.885 2.764) 8.158 9.090 ( -3.392 6.885 2.764) 8.158 9.220 ( -0.176 -3.290 1.438) 3.595 9.220 ( -0.176 3.290 1.438) 3.595 9.433 ( 1.465 -1.743 3.524) 4.195 9.433 ( 1.465 1.743 3.524) 4.195 9.564 ( 2.154 -4.452 -2.524) 5.553 9.564 ( 2.154 4.452 -2.524) 5.553 9.749 ( 5.165 -2.957 -0.307) 5.960 9.749 ( 5.165 2.957 -0.307) 5.960 10.050 ( 4.701 -7.506 -3.198) 9.416 10.050 ( 4.701 7.506 -3.198) 9.416 10.113 ( -2.998 -1.188 3.939) 5.091 10.113 ( -2.998 1.188 3.939) 5.091 10.333 ( -3.769 -3.608 -1.131) 5.339 10.333 ( -3.769 3.608 -1.131) 5.339 10.563 ( -1.152 -7.425 -4.381) 8.698 10.563 ( -1.152 7.425 -4.381) 8.698 10.628 ( 0.763 -5.788 3.609) 6.863 10.628 ( 0.763 5.788 3.609) 6.863 10.949 ( -2.509 -4.263 0.309) 4.956 10.949 ( -2.509 4.263 0.309) 4.956 11.202 ( 0.983 -6.213 -0.749) 6.335 11.202 ( 0.983 6.213 -0.749) 6.335 11.297 ( -1.048 -5.314 -2.177) 5.838 11.297 ( -1.048 5.314 -2.177) 5.838 11.731 ( 0.071 -3.183 4.040) 5.143 11.731 ( 0.071 3.183 4.040) 5.143 11.985 ( 2.333 -6.813 -0.073) 7.201 11.985 ( 2.333 6.813 -0.073) 7.201 12.109 ( -3.970 -2.279 -0.666) 4.626 12.109 ( -3.970 2.279 -0.666) 4.626 12.395 ( 2.028 -3.464 -3.214) 5.142 12.395 ( 2.028 3.464 -3.214) 5.142 12.517 ( 1.168 -7.163 -0.443) 7.271 12.517 ( 1.168 7.163 -0.443) 7.271 12.663 ( 0.837 -2.827 3.902) 4.890 12.663 ( 0.837 2.827 3.902) 4.890 12.877 ( 0.579 -5.707 -2.916) 6.435 12.877 ( 0.579 5.707 -2.916) 6.435 13.117 ( 6.041 -1.932 2.078) 6.674 13.117 ( 6.041 1.932 2.078) 6.674 13.297 ( 0.393 -4.371 -5.857) 7.319 13.297 ( 0.393 4.371 -5.857) 7.319 13.509 ( 0.148 -2.789 2.899) 4.025 13.509 ( 0.148 2.789 2.899) 4.025 13.802 ( -0.092 -4.368 5.285) 6.857 13.802 ( -0.092 4.368 5.285) 6.857 14.135 ( 2.108 -2.096 -0.559) 3.025 14.135 ( 2.108 2.096 -0.559) 3.025 14.345 ( -5.559 -5.535 -5.681) 9.686 14.345 ( -5.559 5.535 -5.681) 9.686 14.491 ( -7.534 -8.878 -1.208) 11.706 14.491 ( -7.534 8.878 -1.208) 11.706 15.150 ( -1.676 -2.979 2.420) 4.188 15.150 ( -1.676 2.979 2.420) 4.188 15.203 ( -0.928 -6.593 1.793) 6.895 15.203 ( -0.928 6.593 1.793) 6.895 15.395 ( 1.397 -2.650 6.492) 7.150 15.395 ( 1.397 2.650 6.492) 7.150 15.784 ( 0.087 -1.802 -3.726) 4.140 15.784 ( 0.087 1.802 -3.726) 4.140 15.870 ( -0.476 -4.145 3.757) 5.615 15.870 ( -0.476 4.145 3.757) 5.615 16.290 ( -1.448 -2.876 -0.084) 3.221 16.290 ( -1.448 2.876 -0.084) 3.221 16.368 ( -2.869 -2.489 -2.973) 4.823 16.368 ( -2.869 2.489 -2.973) 4.823 16.589 ( -0.595 -2.223 -1.421) 2.705 16.589 ( -0.595 2.223 -1.421) 2.705 16.849 ( 2.844 -3.978 -1.470) 5.106 16.849 ( 2.844 3.978 -1.470) 5.106 17.121 ( 0.963 -2.019 1.634) 2.770 17.121 ( 0.963 2.019 1.634) 2.770 17.523 ( 2.937 -7.457 -1.979) 8.255 17.523 ( 2.937 7.457 -1.979) 8.255 17.619 ( -0.297 -5.801 0.888) 5.877 17.619 ( -0.297 5.801 0.888) 5.877 19.475 ( 2.911 -0.603 1.679) 3.414 19.475 ( 2.911 0.603 1.679) 3.414 19.910 ( 1.973 -5.506 -5.605) 8.101 19.910 ( 1.973 5.506 -5.605) 8.101 21.251 ( -1.177 -1.797 -2.660) 3.419 21.251 ( -1.177 1.797 -2.660) 3.419 21.497 ( 1.707 -3.613 0.104) 3.997 21.497 ( 1.707 3.613 0.104) 3.997 22.495 ( 1.639 -6.905 -1.686) 7.294 22.495 ( 1.639 6.905 -1.686) 7.294 22.667 ( 7.835 -11.290 -0.550) 13.753 22.667 ( 7.835 11.290 -0.550) 13.753 24.504 ( -5.997 -0.877 2.097) 6.413 24.504 ( -5.997 0.877 2.097) 6.413 24.591 ( -2.975 -1.734 -3.824) 5.146 24.591 ( -2.975 1.734 -3.824) 5.146 25.424 ( 4.373 -9.526 -1.517) 10.591 25.424 ( 4.373 9.526 -1.517) 10.591 25.534 ( 4.418 -10.236 3.938) 11.824 25.534 ( 4.418 10.236 3.938) 11.824 26.783 ( 4.467 -0.751 6.484) 7.909 26.783 ( 4.467 0.751 6.484) 7.909 27.213 ( 2.755 -2.105 0.450) 3.497 27.213 ( 2.755 2.105 0.450) 3.497 27.876 ( 3.551 -0.857 3.997) 5.415 27.876 ( 3.551 0.857 3.997) 5.415 28.192 ( -0.793 -2.243 -2.967) 3.803 28.192 ( -0.793 2.243 -2.967) 3.803 28.739 ( 0.518 -2.745 -2.350) 3.651 28.739 ( 0.518 2.745 -2.350) 3.651 28.970 ( 4.325 -5.408 0.158) 6.927 28.970 ( 4.325 5.408 0.158) 6.927 29.654 ( -12.470 -1.479 1.641) 12.664 29.654 ( -12.470 1.479 1.641) 12.664 29.781 ( -15.788 -2.237 1.659) 16.032 29.781 ( -15.788 2.237 1.659) 16.032 30.801 ( -0.401 -1.172 -3.256) 3.484 30.801 ( -0.401 1.172 -3.256) 3.484 31.247 ( -11.214 -8.100 1.949) 13.970 31.247 ( -11.214 8.100 1.949) 13.970 32.046 ( -1.503 -8.365 2.579) 8.881 32.046 ( -1.503 8.365 2.579) 8.881 32.398 ( 1.620 -2.417 -6.072) 6.733 32.398 ( 1.620 2.417 -6.072) 6.733 32.674 ( 2.514 -4.503 1.148) 5.283 32.674 ( 2.514 4.503 1.148) 5.283 32.982 ( 8.524 -2.119 -4.536) 9.886 32.982 ( 8.524 2.119 -4.536) 9.886 99.264 ( -0.399 -0.611 -0.804) 1.086 99.264 ( -0.399 0.611 -0.804) 1.086 99.439 ( 2.170 -1.889 1.056) 3.064 99.439 ( 2.170 1.889 1.056) 3.064 102.372 ( 1.804 -3.288 -0.378) 3.770 102.372 ( 1.804 3.288 -0.378) 3.770 102.507 ( 1.486 -1.777 1.734) 2.893 102.507 ( 1.486 1.777 1.734) 2.893 107.343 ( -0.642 -0.737 -0.147) 0.988 107.343 ( -0.642 0.737 -0.147) 0.988 107.444 ( 0.498 -1.039 -0.701) 1.349 107.444 ( 0.498 1.039 -0.701) 1.349 109.319 ( -0.387 -0.278 -0.537) 0.718 109.319 ( -0.387 0.278 -0.537) 0.718 109.362 ( -0.747 -0.424 0.506) 0.997 109.362 ( -0.747 0.424 0.506) 0.997 ======================= Grid point 143 (78/78) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -11.393 -17.742 14.565) 25.626 2.027 ( -11.393 17.742 14.565) 25.626 2.518 ( -9.193 -20.340 21.916) 31.281 2.518 ( -9.193 20.340 21.916) 31.281 3.291 ( 8.473 -21.843 -17.531) 29.261 3.291 ( 8.473 21.843 -17.531) 29.261 3.450 ( -12.875 -9.506 -7.512) 17.679 3.450 ( -12.875 9.506 -7.512) 17.679 3.987 ( -2.817 -11.494 1.139) 11.889 3.987 ( -2.817 11.494 1.139) 11.889 4.106 ( 4.429 -4.491 -18.524) 19.569 4.106 ( 4.429 4.491 -18.524) 19.569 4.545 ( -8.390 -22.406 19.205) 30.680 4.545 ( -8.390 22.406 19.205) 30.680 4.765 ( 4.078 -5.026 -2.253) 6.853 4.765 ( 4.078 5.026 -2.253) 6.853 5.051 ( -7.375 -9.940 8.798) 15.186 5.051 ( -7.375 9.940 8.798) 15.186 5.300 ( 0.162 -1.113 3.415) 3.595 5.300 ( 0.162 1.113 3.415) 3.595 5.565 ( 1.559 -5.960 -9.766) 11.547 5.565 ( 1.559 5.960 -9.766) 11.547 5.772 ( -6.043 -5.105 -7.964) 11.225 5.772 ( -6.043 5.105 -7.964) 11.225 5.907 ( 0.351 -5.627 1.054) 5.735 5.907 ( 0.351 5.627 1.054) 5.735 6.130 ( -1.833 -3.244 -1.225) 3.922 6.130 ( -1.833 3.244 -1.225) 3.922 6.261 ( 0.387 -14.122 -1.047) 14.166 6.261 ( 0.387 14.122 -1.047) 14.166 6.398 ( -0.375 -1.126 2.877) 3.112 6.398 ( -0.375 1.126 2.877) 3.112 6.546 ( 3.519 -4.215 -4.434) 7.057 6.546 ( 3.519 4.215 -4.434) 7.057 6.785 ( -1.783 -3.266 -3.196) 4.905 6.785 ( -1.783 3.266 -3.196) 4.905 6.986 ( -2.974 -6.443 7.234) 10.134 6.986 ( -2.974 6.443 7.234) 10.134 7.308 ( 4.859 -1.516 -2.733) 5.777 7.308 ( 4.859 1.516 -2.733) 5.777 7.571 ( 5.520 -9.826 -3.288) 11.740 7.571 ( 5.520 9.826 -3.288) 11.740 7.721 ( -0.041 -1.788 1.742) 2.497 7.721 ( -0.041 1.788 1.742) 2.497 7.934 ( 1.502 -2.739 -0.527) 3.168 7.934 ( 1.502 2.739 -0.527) 3.168 7.972 ( -5.048 -0.838 4.193) 6.616 7.972 ( -5.048 0.838 4.193) 6.616 8.159 ( 1.828 -2.754 0.111) 3.308 8.159 ( 1.828 2.754 0.111) 3.308 8.457 ( 4.170 -2.971 0.510) 5.145 8.457 ( 4.170 2.971 0.510) 5.145 8.769 ( 5.351 -2.306 -4.360) 7.278 8.769 ( 5.351 2.306 -4.360) 7.278 8.917 ( -4.917 -8.041 5.271) 10.799 8.917 ( -4.917 8.041 5.271) 10.799 9.061 ( 2.046 -5.915 -0.914) 6.326 9.061 ( 2.046 5.915 -0.914) 6.326 9.306 ( 4.477 -4.758 3.664) 7.490 9.306 ( 4.477 4.758 3.664) 7.490 9.448 ( -0.796 -4.428 5.110) 6.808 9.448 ( -0.796 4.428 5.110) 6.808 9.612 ( 3.148 -6.756 -0.493) 7.470 9.612 ( 3.148 6.756 -0.493) 7.470 9.826 ( 2.915 -3.087 -0.064) 4.246 9.826 ( 2.915 3.087 -0.064) 4.246 10.036 ( 1.534 -4.668 2.058) 5.328 10.036 ( 1.534 4.668 2.058) 5.328 10.147 ( -2.298 -4.328 -3.632) 6.099 10.147 ( -2.298 4.328 -3.632) 6.099 10.277 ( 0.012 -4.706 1.721) 5.011 10.277 ( 0.012 4.706 1.721) 5.011 10.479 ( -3.922 -5.459 0.189) 6.725 10.479 ( -3.922 5.459 0.189) 6.725 10.736 ( 4.704 -3.966 1.979) 6.463 10.736 ( 4.704 3.966 1.979) 6.463 10.886 ( -3.155 -3.059 -1.471) 4.634 10.886 ( -3.155 3.059 -1.471) 4.634 11.202 ( -0.540 -7.111 -0.143) 7.133 11.202 ( -0.540 7.111 -0.143) 7.133 11.305 ( 4.731 -2.675 -2.872) 6.147 11.305 ( 4.731 2.675 -2.872) 6.147 11.749 ( -0.888 -5.683 4.088) 7.057 11.749 ( -0.888 5.683 4.088) 7.057 11.980 ( -6.489 -4.668 2.698) 8.437 11.980 ( -6.489 4.668 2.698) 8.437 12.043 ( 2.258 -3.688 -3.642) 5.654 12.043 ( 2.258 3.688 -3.642) 5.654 12.399 ( -1.285 -2.080 -3.208) 4.033 12.399 ( -1.285 2.080 -3.208) 4.033 12.495 ( 0.905 -6.978 -3.274) 7.761 12.495 ( 0.905 6.978 -3.274) 7.761 12.739 ( 2.449 -1.885 2.868) 4.217 12.739 ( 2.449 1.885 2.868) 4.217 12.880 ( 1.268 -1.056 1.263) 2.078 12.880 ( 1.268 1.056 1.263) 2.078 13.171 ( -0.381 -4.055 0.484) 4.101 13.171 ( -0.381 4.055 0.484) 4.101 13.297 ( 2.867 -1.215 -4.339) 5.341 13.297 ( 2.867 1.215 -4.339) 5.341 13.547 ( -1.356 -0.732 5.864) 6.063 13.547 ( -1.356 0.732 5.864) 6.063 13.778 ( -3.038 -4.202 -4.116) 6.620 13.778 ( -3.038 4.202 -4.116) 6.620 14.128 ( -1.399 -4.460 -2.803) 5.450 14.128 ( -1.399 4.460 -2.803) 5.450 14.295 ( -4.589 -9.755 8.306) 13.609 14.295 ( -4.589 9.755 8.306) 13.609 14.388 ( 5.594 -9.253 -8.051) 13.481 14.388 ( 5.594 9.253 -8.051) 13.481 15.118 ( -2.719 -4.543 0.518) 5.320 15.118 ( -2.719 4.543 0.518) 5.320 15.245 ( 3.122 -2.347 3.804) 5.453 15.245 ( 3.122 2.347 3.804) 5.453 15.473 ( -0.186 -4.576 8.503) 9.658 15.473 ( -0.186 4.576 8.503) 9.658 15.769 ( 2.465 -5.669 -4.705) 7.768 15.769 ( 2.465 5.669 -4.705) 7.768 15.865 ( -2.907 -1.183 -0.210) 3.145 15.865 ( -2.907 1.183 -0.210) 3.145 16.237 ( -2.545 -4.189 -1.462) 5.115 16.237 ( -2.545 4.189 -1.462) 5.115 16.332 ( -0.338 -0.692 1.053) 1.304 16.332 ( -0.338 0.692 1.053) 1.304 16.568 ( -0.620 -0.245 -0.662) 0.940 16.568 ( -0.620 0.245 -0.662) 0.940 16.890 ( 1.866 -2.835 -0.257) 3.404 16.890 ( 1.866 2.835 -0.257) 3.404 17.171 ( 1.963 -1.372 2.979) 3.822 17.171 ( 1.963 1.372 2.979) 3.822 17.474 ( -4.909 -0.704 -2.101) 5.386 17.474 ( -4.909 0.704 -2.101) 5.386 17.650 ( 2.844 -2.436 -1.276) 3.956 17.650 ( 2.844 2.436 -1.276) 3.956 19.541 ( 2.135 -1.023 2.610) 3.524 19.541 ( 2.135 1.023 2.610) 3.524 19.884 ( 1.067 -3.295 -8.482) 9.162 19.884 ( 1.067 3.295 -8.482) 9.162 21.234 ( 1.204 -3.101 -0.238) 3.335 21.234 ( 1.204 3.101 -0.238) 3.335 21.502 ( -0.595 -3.535 -1.921) 4.067 21.502 ( -0.595 3.535 -1.921) 4.067 22.505 ( 1.046 -5.368 -2.031) 5.834 22.505 ( 1.046 5.368 -2.031) 5.834 22.791 ( 5.606 -7.695 -2.135) 9.757 22.791 ( 5.606 7.695 -2.135) 9.757 24.419 ( -4.421 -1.429 2.335) 5.200 24.419 ( -4.421 1.429 2.335) 5.200 24.504 ( -2.369 -1.323 -3.872) 4.728 24.504 ( -2.369 1.323 -3.872) 4.728 25.470 ( 1.775 -2.873 -0.517) 3.417 25.470 ( 1.775 2.873 -0.517) 3.417 25.663 ( 4.794 -3.756 2.392) 6.543 25.663 ( 4.794 3.756 2.392) 6.543 26.925 ( 4.047 -3.105 5.745) 7.682 26.925 ( 4.047 3.105 5.745) 7.682 27.261 ( 1.667 -2.016 0.389) 2.645 27.261 ( 1.667 2.016 0.389) 2.645 27.972 ( 1.480 -2.380 4.316) 5.146 27.972 ( 1.480 2.380 4.316) 5.146 28.150 ( -0.840 -1.866 -2.452) 3.194 28.150 ( -0.840 1.866 -2.452) 3.194 28.754 ( 4.492 -3.503 0.007) 5.697 28.754 ( 4.492 3.503 0.007) 5.697 29.033 ( 0.639 -2.803 1.807) 3.396 29.033 ( 0.639 2.803 1.807) 3.396 29.392 ( -12.771 -2.802 -1.875) 13.209 29.392 ( -12.771 2.802 -1.875) 13.209 29.564 ( -9.944 -1.381 5.042) 11.234 29.564 ( -9.944 1.381 5.042) 11.234 30.781 ( 1.820 -3.054 -4.760) 5.941 30.781 ( 1.820 3.054 -4.760) 5.941 31.052 ( -10.289 -7.622 3.214) 13.202 31.052 ( -10.289 7.622 3.214) 13.202 32.053 ( -0.608 -8.960 4.041) 9.848 32.053 ( -0.608 8.960 4.041) 9.848 32.352 ( -0.046 -2.608 -7.958) 8.375 32.352 ( -0.046 2.608 -7.958) 8.375 32.731 ( 1.787 -5.066 1.958) 5.718 32.731 ( 1.787 5.066 1.958) 5.718 33.074 ( 5.747 -3.145 -8.068) 10.393 33.074 ( 5.747 3.145 -8.068) 10.393 99.252 ( -0.255 -0.574 -0.578) 0.854 99.252 ( -0.255 0.574 -0.578) 0.854 99.480 ( 1.268 -1.965 0.300) 2.358 99.480 ( 1.268 1.965 0.300) 2.358 102.395 ( 0.846 -3.207 -0.586) 3.368 102.395 ( 0.846 3.207 -0.586) 3.368 102.544 ( 0.739 -1.796 1.525) 2.469 102.544 ( 0.739 1.796 1.525) 2.469 107.338 ( 0.065 -0.779 0.584) 0.976 107.338 ( 0.065 0.779 0.584) 0.976 107.437 ( -0.164 -1.089 -1.926) 2.218 107.437 ( -0.164 1.089 -1.926) 2.218 109.310 ( -0.090 -0.188 -0.213) 0.298 109.310 ( -0.090 0.188 -0.213) 0.298 109.354 ( -0.490 -0.429 0.499) 0.820 109.354 ( -0.490 0.429 0.499) 0.820 =================== 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 3/39600 10.0 513.780 437.655 618.233 0.000 -51.680 0.000 3/39600 20.0 139.003 151.089 127.317 0.000 -30.830 0.000 3/39600 30.0 55.405 55.326 43.698 0.000 -12.314 0.000 3/39600 40.0 29.020 27.048 21.083 0.000 -6.277 0.000 3/39600 50.0 17.935 16.104 12.595 0.000 -3.823 0.000 3/39600 60.0 12.359 10.888 8.575 0.000 -2.616 0.000 3/39600 70.0 9.181 8.013 6.353 0.000 -1.936 0.000 3/39600 80.0 7.198 6.255 4.985 0.000 -1.513 0.000 3/39600 90.0 5.873 5.094 4.078 0.000 -1.231 0.000 3/39600 100.0 4.938 4.281 3.440 0.000 -1.032 0.000 3/39600 110.0 4.250 3.685 2.972 0.000 -0.885 0.000 3/39600 120.0 3.726 3.233 2.614 0.000 -0.774 0.000 3/39600 130.0 3.315 2.879 2.334 0.000 -0.686 0.000 3/39600 140.0 2.986 2.595 2.109 0.000 -0.616 0.000 3/39600 150.0 2.716 2.363 1.925 0.000 -0.559 0.000 3/39600 160.0 2.491 2.169 1.771 0.000 -0.511 0.000 3/39600 170.0 2.300 2.005 1.641 0.000 -0.471 0.000 3/39600 180.0 2.138 1.865 1.529 0.000 -0.436 0.000 3/39600 190.0 1.997 1.744 1.432 0.000 -0.406 0.000 3/39600 200.0 1.874 1.638 1.347 0.000 -0.380 0.000 3/39600 210.0 1.765 1.545 1.272 0.000 -0.358 0.000 3/39600 220.0 1.669 1.461 1.205 0.000 -0.337 0.000 3/39600 230.0 1.583 1.387 1.145 0.000 -0.319 0.000 3/39600 240.0 1.506 1.320 1.091 0.000 -0.303 0.000 3/39600 250.0 1.437 1.260 1.042 0.000 -0.289 0.000 3/39600 260.0 1.373 1.205 0.998 0.000 -0.275 0.000 3/39600 270.0 1.315 1.154 0.957 0.000 -0.263 0.000 3/39600 280.0 1.263 1.108 0.920 0.000 -0.252 0.000 3/39600 290.0 1.214 1.066 0.885 0.000 -0.242 0.000 3/39600 300.0 1.169 1.027 0.853 0.000 -0.233 0.000 3/39600 310.0 1.128 0.990 0.824 0.000 -0.224 0.000 3/39600 320.0 1.089 0.957 0.796 0.000 -0.216 0.000 3/39600 330.0 1.054 0.925 0.771 0.000 -0.209 0.000 3/39600 340.0 1.020 0.896 0.747 0.000 -0.202 0.000 3/39600 350.0 0.989 0.868 0.724 0.000 -0.195 0.000 3/39600 360.0 0.960 0.843 0.703 0.000 -0.189 0.000 3/39600 370.0 0.932 0.818 0.683 0.000 -0.183 0.000 3/39600 380.0 0.906 0.796 0.665 0.000 -0.178 0.000 3/39600 390.0 0.882 0.774 0.647 0.000 -0.173 0.000 3/39600 400.0 0.859 0.754 0.630 0.000 -0.168 0.000 3/39600 410.0 0.837 0.734 0.614 0.000 -0.164 0.000 3/39600 420.0 0.816 0.716 0.599 0.000 -0.160 0.000 3/39600 430.0 0.796 0.698 0.585 0.000 -0.156 0.000 3/39600 440.0 0.778 0.682 0.571 0.000 -0.152 0.000 3/39600 450.0 0.760 0.666 0.558 0.000 -0.148 0.000 3/39600 460.0 0.743 0.651 0.546 0.000 -0.145 0.000 3/39600 470.0 0.727 0.637 0.534 0.000 -0.141 0.000 3/39600 480.0 0.711 0.623 0.523 0.000 -0.138 0.000 3/39600 490.0 0.696 0.610 0.512 0.000 -0.135 0.000 3/39600 500.0 0.682 0.597 0.502 0.000 -0.132 0.000 3/39600 510.0 0.669 0.585 0.492 0.000 -0.130 0.000 3/39600 520.0 0.655 0.574 0.482 0.000 -0.127 0.000 3/39600 530.0 0.643 0.563 0.473 0.000 -0.124 0.000 3/39600 540.0 0.631 0.552 0.464 0.000 -0.122 0.000 3/39600 550.0 0.619 0.542 0.456 0.000 -0.120 0.000 3/39600 560.0 0.608 0.532 0.447 0.000 -0.117 0.000 3/39600 570.0 0.597 0.522 0.440 0.000 -0.115 0.000 3/39600 580.0 0.587 0.513 0.432 0.000 -0.113 0.000 3/39600 590.0 0.577 0.504 0.425 0.000 -0.111 0.000 3/39600 600.0 0.567 0.496 0.417 0.000 -0.109 0.000 3/39600 610.0 0.558 0.487 0.411 0.000 -0.107 0.000 3/39600 620.0 0.549 0.479 0.404 0.000 -0.105 0.000 3/39600 630.0 0.540 0.472 0.397 0.000 -0.104 0.000 3/39600 640.0 0.532 0.464 0.391 0.000 -0.102 0.000 3/39600 650.0 0.523 0.457 0.385 0.000 -0.100 0.000 3/39600 660.0 0.515 0.450 0.379 0.000 -0.099 0.000 3/39600 670.0 0.508 0.443 0.374 0.000 -0.097 0.000 3/39600 680.0 0.500 0.436 0.368 0.000 -0.096 0.000 3/39600 690.0 0.493 0.430 0.363 0.000 -0.094 0.000 3/39600 700.0 0.486 0.424 0.358 0.000 -0.093 0.000 3/39600 710.0 0.479 0.418 0.353 0.000 -0.092 0.000 3/39600 720.0 0.472 0.412 0.348 0.000 -0.090 0.000 3/39600 730.0 0.466 0.406 0.343 0.000 -0.089 0.000 3/39600 740.0 0.460 0.401 0.338 0.000 -0.088 0.000 3/39600 750.0 0.454 0.395 0.334 0.000 -0.087 0.000 3/39600 760.0 0.448 0.390 0.329 0.000 -0.085 0.000 3/39600 770.0 0.442 0.385 0.325 0.000 -0.084 0.000 3/39600 780.0 0.436 0.380 0.321 0.000 -0.083 0.000 3/39600 790.0 0.431 0.375 0.317 0.000 -0.082 0.000 3/39600 800.0 0.425 0.370 0.313 0.000 -0.081 0.000 3/39600 810.0 0.420 0.366 0.309 0.000 -0.080 0.000 3/39600 820.0 0.415 0.361 0.305 0.000 -0.079 0.000 3/39600 830.0 0.410 0.357 0.302 0.000 -0.078 0.000 3/39600 840.0 0.405 0.353 0.298 0.000 -0.077 0.000 3/39600 850.0 0.400 0.348 0.295 0.000 -0.076 0.000 3/39600 860.0 0.396 0.344 0.291 0.000 -0.075 0.000 3/39600 870.0 0.391 0.340 0.288 0.000 -0.074 0.000 3/39600 880.0 0.387 0.337 0.285 0.000 -0.074 0.000 3/39600 890.0 0.382 0.333 0.281 0.000 -0.073 0.000 3/39600 900.0 0.378 0.329 0.278 0.000 -0.072 0.000 3/39600 910.0 0.374 0.325 0.275 0.000 -0.071 0.000 3/39600 920.0 0.370 0.322 0.272 0.000 -0.070 0.000 3/39600 930.0 0.366 0.318 0.269 0.000 -0.070 0.000 3/39600 940.0 0.362 0.315 0.267 0.000 -0.069 0.000 3/39600 950.0 0.358 0.312 0.264 0.000 -0.068 0.000 3/39600 960.0 0.355 0.308 0.261 0.000 -0.067 0.000 3/39600 970.0 0.351 0.305 0.258 0.000 -0.067 0.000 3/39600 980.0 0.347 0.302 0.256 0.000 -0.066 0.000 3/39600 990.0 0.344 0.299 0.253 0.000 -0.065 0.000 3/39600 1000.0 0.340 0.296 0.251 0.000 -0.065 0.000 3/39600 Thermal conductivity related properties were written into "kappa-m1045.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:04:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|