----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:36:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [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 12.637729110459683 0.000000000000000 0.000000000000000 b 0.000000000000000 7.301802310000002 0.000000000000000 c -8.436400095902224 0.000000000000000 13.495299056422072 Atomic positions (fractional): *1 Cs 0.62365156875987 0.24790002929589 0.05965087862741 132.905 *2 Cs 0.87106932771056 0.24848038910635 0.43100907681835 132.905 3 Cs 0.12893067228944 0.75151961089365 0.56899092318165 132.905 4 Cs 0.37634843124013 0.74790002929589 0.44034912137259 132.905 5 Cs 0.62365156875987 0.25209997070411 0.55965087862741 132.905 6 Cs 0.87106932771056 0.25151961089365 0.93100907681835 132.905 7 Cs 0.12893067228944 0.74848038910635 0.06899092318165 132.905 8 Cs 0.37634843124013 0.75209997070411 0.94034912137259 132.905 *9 I 0.26461346497615 0.28427658396276 0.26586668249357 126.904 *10 I 0.76596559780009 0.77145817116874 0.99558432966334 126.904 *11 I 0.98556705613958 0.03554599926004 0.73893224739748 126.904 *12 I 0.51115922271277 0.99602389072541 0.73802193018860 126.904 13 I 0.01443294386042 0.96445400073996 0.26106775260252 126.904 14 I 0.76596559780009 0.72854182883126 0.49558432966334 126.904 15 I 0.51115922271277 0.50397610927459 0.23802193018860 126.904 16 I 0.98556705613958 0.46445400073996 0.23893224739748 126.904 17 I 0.73538653502385 0.71572341603724 0.73413331750642 126.904 18 I 0.01443294386042 0.53554599926004 0.76106775260252 126.904 19 I 0.73538653502385 0.78427658396276 0.23413331750642 126.904 20 I 0.48884077728724 0.49602389072541 0.76197806981140 126.904 21 I 0.26461346497615 0.21572341603724 0.76586668249358 126.904 22 I 0.48884077728724 0.00397610927458 0.26197806981140 126.904 23 I 0.23403440219991 0.27145817116874 0.50441567033666 126.904 24 I 0.23403440219991 0.22854182883126 0.00441567033666 126.904 *25 O 0.88270697877378 0.02805566263125 0.60450711336462 15.999 *26 O 0.60793144772189 0.11511124333178 0.24863894901445 15.999 *27 O 0.33799781626233 0.17821685324625 0.89847412535267 15.999 *28 O 0.91856038902549 0.75290468957803 0.76123831034462 15.999 29 O 0.08143961097451 0.25290468957803 0.73876168965538 15.999 30 O 0.66200218373767 0.82178314675375 0.10152587464733 15.999 *31 O 0.55916259098302 0.74181595502690 0.71864779997379 15.999 *32 O 0.73616922099294 0.96478993282527 0.73807734314085 15.999 33 O 0.39206855227811 0.61511124333178 0.25136105098555 15.999 *34 O 0.89979367656911 0.91774293847942 0.08029412446445 15.999 35 O 0.11729302122622 0.52805566263125 0.89549288663538 15.999 36 O 0.44083740901698 0.25818404497310 0.28135220002621 15.999 *37 O 0.11176154321498 0.88935408992847 0.75424258905651 15.999 38 O 0.73616922099294 0.53521006717473 0.23807734314084 15.999 39 O 0.91856038902549 0.74709531042197 0.26123831034462 15.999 40 O 0.10020632343089 0.08225706152058 0.91970587553556 15.999 41 O 0.08143961097451 0.24709531042197 0.23876168965538 15.999 *42 O 0.17273628072974 0.20202879004700 0.58174085369162 15.999 *43 O 0.66235754778576 0.95970954317384 0.91993916279688 15.999 44 O 0.82726371927026 0.79797120995299 0.41825914630838 15.999 45 O 0.88823845678502 0.38935408992847 0.74575741094349 15.999 46 O 0.33764245221424 0.45970954317384 0.58006083720312 15.999 47 O 0.10020632343089 0.41774293847942 0.41970587553555 15.999 48 O 0.88823845678502 0.11064591007152 0.24575741094348 15.999 49 O 0.44083740901698 0.24181595502690 0.78135220002621 15.999 50 O 0.82726371927026 0.70202879004701 0.91825914630838 15.999 51 O 0.11729302122622 0.97194433736875 0.39549288663539 15.999 52 O 0.33764245221424 0.04029045682616 0.08006083720312 15.999 53 O 0.26383077900706 0.46478993282526 0.76192265685915 15.999 54 O 0.66200218373767 0.67821685324625 0.60152587464733 15.999 55 O 0.11176154321498 0.61064591007153 0.25424258905651 15.999 *56 O 0.42097233799598 0.45651152134953 0.10521430262952 15.999 57 O 0.39206855227811 0.88488875666822 0.75136105098555 15.999 58 O 0.89979367656911 0.58225706152058 0.58029412446444 15.999 59 O 0.57902766200402 0.95651152134953 0.39478569737047 15.999 60 O 0.88270697877378 0.47194433736875 0.10450711336462 15.999 61 O 0.60793144772189 0.38488875666822 0.74863894901445 15.999 62 O 0.33799781626233 0.32178314675375 0.39847412535267 15.999 63 O 0.55916259098302 0.75818404497310 0.21864779997379 15.999 64 O 0.17273628072974 0.29797120995299 0.08174085369162 15.999 65 O 0.57902766200402 0.54348847865047 0.89478569737047 15.999 66 O 0.66235754778576 0.54029045682616 0.41993916279687 15.999 67 O 0.42097233799598 0.04348847865046 0.60521430262953 15.999 68 O 0.26383077900706 0.03521006717474 0.26192265685916 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.637729110459683 0.000000000000000 0.000000000000000 b 0.000000000000000 7.301802310000002 0.000000000000000 c -8.436400095902224 0.000000000000000 13.495299056422072 Atomic positions (fractional): *1 Cs 0.62365156875987 0.24790002929589 0.05965087862741 132.905 > 1 *2 Cs 0.87106932771056 0.24848038910635 0.43100907681835 132.905 > 2 3 Cs 0.12893067228944 0.75151961089365 0.56899092318165 132.905 > 3 4 Cs 0.37634843124013 0.74790002929589 0.44034912137259 132.905 > 4 5 Cs 0.62365156875987 0.25209997070411 0.55965087862741 132.905 > 5 6 Cs 0.87106932771056 0.25151961089365 0.93100907681835 132.905 > 6 7 Cs 0.12893067228944 0.74848038910635 0.06899092318165 132.905 > 7 8 Cs 0.37634843124013 0.75209997070411 0.94034912137259 132.905 > 8 *9 I 0.26461346497615 0.28427658396276 0.26586668249357 126.904 > 9 *10 I 0.76596559780009 0.77145817116874 0.99558432966334 126.904 > 10 *11 I 0.98556705613958 0.03554599926004 0.73893224739748 126.904 > 11 *12 I 0.51115922271277 0.99602389072541 0.73802193018860 126.904 > 12 13 I 0.01443294386042 0.96445400073996 0.26106775260252 126.904 > 13 14 I 0.76596559780009 0.72854182883126 0.49558432966334 126.904 > 14 15 I 0.51115922271277 0.50397610927459 0.23802193018860 126.904 > 15 16 I 0.98556705613958 0.46445400073996 0.23893224739748 126.904 > 16 17 I 0.73538653502385 0.71572341603724 0.73413331750642 126.904 > 17 18 I 0.01443294386042 0.53554599926004 0.76106775260252 126.904 > 18 19 I 0.73538653502385 0.78427658396276 0.23413331750642 126.904 > 19 20 I 0.48884077728724 0.49602389072541 0.76197806981140 126.904 > 20 21 I 0.26461346497615 0.21572341603724 0.76586668249358 126.904 > 21 22 I 0.48884077728724 0.00397610927458 0.26197806981140 126.904 > 22 23 I 0.23403440219991 0.27145817116874 0.50441567033666 126.904 > 23 24 I 0.23403440219991 0.22854182883126 0.00441567033666 126.904 > 24 *25 O 0.88270697877378 0.02805566263125 0.60450711336462 15.999 > 25 *26 O 0.60793144772189 0.11511124333178 0.24863894901445 15.999 > 26 *27 O 0.33799781626233 0.17821685324625 0.89847412535267 15.999 > 27 *28 O 0.91856038902549 0.75290468957803 0.76123831034462 15.999 > 28 29 O 0.08143961097451 0.25290468957803 0.73876168965538 15.999 > 29 30 O 0.66200218373767 0.82178314675375 0.10152587464733 15.999 > 30 *31 O 0.55916259098302 0.74181595502690 0.71864779997379 15.999 > 31 *32 O 0.73616922099294 0.96478993282527 0.73807734314085 15.999 > 32 33 O 0.39206855227811 0.61511124333178 0.25136105098555 15.999 > 33 *34 O 0.89979367656911 0.91774293847942 0.08029412446445 15.999 > 34 35 O 0.11729302122622 0.52805566263125 0.89549288663538 15.999 > 35 36 O 0.44083740901698 0.25818404497310 0.28135220002621 15.999 > 36 *37 O 0.11176154321498 0.88935408992847 0.75424258905651 15.999 > 37 38 O 0.73616922099294 0.53521006717473 0.23807734314084 15.999 > 38 39 O 0.91856038902549 0.74709531042197 0.26123831034462 15.999 > 39 40 O 0.10020632343089 0.08225706152058 0.91970587553556 15.999 > 40 41 O 0.08143961097451 0.24709531042197 0.23876168965538 15.999 > 41 *42 O 0.17273628072974 0.20202879004700 0.58174085369162 15.999 > 42 *43 O 0.66235754778576 0.95970954317384 0.91993916279688 15.999 > 43 44 O 0.82726371927026 0.79797120995299 0.41825914630838 15.999 > 44 45 O 0.88823845678502 0.38935408992847 0.74575741094349 15.999 > 45 46 O 0.33764245221424 0.45970954317384 0.58006083720312 15.999 > 46 47 O 0.10020632343089 0.41774293847942 0.41970587553555 15.999 > 47 48 O 0.88823845678502 0.11064591007152 0.24575741094348 15.999 > 48 49 O 0.44083740901698 0.24181595502690 0.78135220002621 15.999 > 49 50 O 0.82726371927026 0.70202879004701 0.91825914630838 15.999 > 50 51 O 0.11729302122622 0.97194433736875 0.39549288663539 15.999 > 51 52 O 0.33764245221424 0.04029045682616 0.08006083720312 15.999 > 52 53 O 0.26383077900706 0.46478993282526 0.76192265685915 15.999 > 53 54 O 0.66200218373767 0.67821685324625 0.60152587464733 15.999 > 54 55 O 0.11176154321498 0.61064591007153 0.25424258905651 15.999 > 55 *56 O 0.42097233799598 0.45651152134953 0.10521430262952 15.999 > 56 57 O 0.39206855227811 0.88488875666822 0.75136105098555 15.999 > 57 58 O 0.89979367656911 0.58225706152058 0.58029412446444 15.999 > 58 59 O 0.57902766200402 0.95651152134953 0.39478569737047 15.999 > 59 60 O 0.88270697877378 0.47194433736875 0.10450711336462 15.999 > 60 61 O 0.60793144772189 0.38488875666822 0.74863894901445 15.999 > 61 62 O 0.33799781626233 0.32178314675375 0.39847412535267 15.999 > 62 63 O 0.55916259098302 0.75818404497310 0.21864779997379 15.999 > 63 64 O 0.17273628072974 0.29797120995299 0.08174085369162 15.999 > 64 65 O 0.57902766200402 0.54348847865047 0.89478569737047 15.999 > 65 66 O 0.66235754778576 0.54029045682616 0.41993916279687 15.999 > 66 67 O 0.42097233799598 0.04348847865046 0.60521430262953 15.999 > 67 68 O 0.26383077900706 0.03521006717474 0.26192265685916 15.999 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.637729110459683 0.000000000000000 0.000000000000000 b 0.000000000000000 14.603604620000004 0.000000000000000 c -8.436400095902224 0.000000000000000 13.495299056422072 Atomic positions (fractional): *1 Cs 0.62365156875987 0.12395001464794 0.05965087862741 132.905 > 1 2 Cs 0.62365156875987 0.62395001464794 0.05965087862741 132.905 > 1 *3 Cs 0.87106932771056 0.12424019455318 0.43100907681835 132.905 > 2 4 Cs 0.87106932771056 0.62424019455318 0.43100907681835 132.905 > 2 5 Cs 0.12893067228944 0.37575980544682 0.56899092318165 132.905 > 3 6 Cs 0.12893067228944 0.87575980544682 0.56899092318165 132.905 > 3 7 Cs 0.37634843124013 0.37395001464794 0.44034912137259 132.905 > 4 8 Cs 0.37634843124013 0.87395001464794 0.44034912137259 132.905 > 4 9 Cs 0.62365156875987 0.12604998535206 0.55965087862741 132.905 > 5 10 Cs 0.62365156875987 0.62604998535206 0.55965087862741 132.905 > 5 11 Cs 0.87106932771056 0.12575980544682 0.93100907681835 132.905 > 6 12 Cs 0.87106932771056 0.62575980544682 0.93100907681835 132.905 > 6 13 Cs 0.12893067228944 0.37424019455318 0.06899092318165 132.905 > 7 14 Cs 0.12893067228944 0.87424019455318 0.06899092318165 132.905 > 7 15 Cs 0.37634843124013 0.37604998535206 0.94034912137259 132.905 > 8 16 Cs 0.37634843124013 0.87604998535206 0.94034912137259 132.905 > 8 *17 I 0.26461346497615 0.14213829198138 0.26586668249357 126.904 > 9 18 I 0.26461346497615 0.64213829198138 0.26586668249357 126.904 > 9 *19 I 0.76596559780009 0.38572908558437 0.99558432966334 126.904 > 10 20 I 0.76596559780009 0.88572908558437 0.99558432966334 126.904 > 10 *21 I 0.98556705613958 0.01777299963002 0.73893224739748 126.904 > 11 22 I 0.98556705613958 0.51777299963002 0.73893224739748 126.904 > 11 *23 I 0.51115922271277 0.49801194536271 0.73802193018860 126.904 > 12 24 I 0.51115922271277 0.99801194536271 0.73802193018860 126.904 > 12 25 I 0.01443294386042 0.48222700036998 0.26106775260252 126.904 > 13 26 I 0.01443294386042 0.98222700036998 0.26106775260252 126.904 > 13 27 I 0.76596559780009 0.36427091441563 0.49558432966334 126.904 > 14 28 I 0.76596559780009 0.86427091441563 0.49558432966334 126.904 > 14 29 I 0.51115922271277 0.25198805463729 0.23802193018860 126.904 > 15 30 I 0.51115922271277 0.75198805463729 0.23802193018860 126.904 > 15 31 I 0.98556705613958 0.23222700036998 0.23893224739748 126.904 > 16 32 I 0.98556705613958 0.73222700036998 0.23893224739748 126.904 > 16 33 I 0.73538653502385 0.35786170801862 0.73413331750642 126.904 > 17 34 I 0.73538653502385 0.85786170801862 0.73413331750642 126.904 > 17 35 I 0.01443294386042 0.26777299963002 0.76106775260252 126.904 > 18 36 I 0.01443294386042 0.76777299963002 0.76106775260252 126.904 > 18 37 I 0.73538653502385 0.39213829198138 0.23413331750642 126.904 > 19 38 I 0.73538653502385 0.89213829198138 0.23413331750642 126.904 > 19 39 I 0.48884077728724 0.24801194536271 0.76197806981140 126.904 > 20 40 I 0.48884077728724 0.74801194536271 0.76197806981140 126.904 > 20 41 I 0.26461346497615 0.10786170801862 0.76586668249358 126.904 > 21 42 I 0.26461346497615 0.60786170801862 0.76586668249358 126.904 > 21 43 I 0.48884077728724 0.00198805463729 0.26197806981140 126.904 > 22 44 I 0.48884077728724 0.50198805463729 0.26197806981140 126.904 > 22 45 I 0.23403440219991 0.13572908558437 0.50441567033666 126.904 > 23 46 I 0.23403440219991 0.63572908558437 0.50441567033666 126.904 > 23 47 I 0.23403440219991 0.11427091441563 0.00441567033666 126.904 > 24 48 I 0.23403440219991 0.61427091441563 0.00441567033666 126.904 > 24 *49 O 0.88270697877378 0.01402783131563 0.60450711336462 15.999 > 25 50 O 0.88270697877378 0.51402783131563 0.60450711336462 15.999 > 25 *51 O 0.60793144772189 0.05755562166589 0.24863894901445 15.999 > 26 52 O 0.60793144772189 0.55755562166589 0.24863894901445 15.999 > 26 *53 O 0.33799781626233 0.08910842662312 0.89847412535267 15.999 > 27 54 O 0.33799781626233 0.58910842662312 0.89847412535267 15.999 > 27 *55 O 0.91856038902549 0.37645234478902 0.76123831034462 15.999 > 28 56 O 0.91856038902549 0.87645234478902 0.76123831034462 15.999 > 28 57 O 0.08143961097451 0.12645234478901 0.73876168965538 15.999 > 29 58 O 0.08143961097451 0.62645234478902 0.73876168965538 15.999 > 29 59 O 0.66200218373767 0.41089157337688 0.10152587464733 15.999 > 30 60 O 0.66200218373767 0.91089157337688 0.10152587464733 15.999 > 30 *61 O 0.55916259098302 0.37090797751345 0.71864779997379 15.999 > 31 62 O 0.55916259098302 0.87090797751345 0.71864779997379 15.999 > 31 *63 O 0.73616922099294 0.48239496641263 0.73807734314085 15.999 > 32 64 O 0.73616922099294 0.98239496641263 0.73807734314085 15.999 > 32 65 O 0.39206855227811 0.30755562166589 0.25136105098555 15.999 > 33 66 O 0.39206855227811 0.80755562166589 0.25136105098555 15.999 > 33 *67 O 0.89979367656911 0.45887146923971 0.08029412446445 15.999 > 34 68 O 0.89979367656911 0.95887146923971 0.08029412446445 15.999 > 34 69 O 0.11729302122622 0.26402783131563 0.89549288663538 15.999 > 35 70 O 0.11729302122622 0.76402783131563 0.89549288663538 15.999 > 35 71 O 0.44083740901698 0.12909202248655 0.28135220002621 15.999 > 36 72 O 0.44083740901698 0.62909202248655 0.28135220002621 15.999 > 36 *73 O 0.11176154321498 0.44467704496424 0.75424258905651 15.999 > 37 74 O 0.11176154321498 0.94467704496424 0.75424258905651 15.999 > 37 75 O 0.73616922099294 0.26760503358737 0.23807734314084 15.999 > 38 76 O 0.73616922099294 0.76760503358737 0.23807734314084 15.999 > 38 77 O 0.91856038902549 0.37354765521098 0.26123831034462 15.999 > 39 78 O 0.91856038902549 0.87354765521098 0.26123831034462 15.999 > 39 79 O 0.10020632343089 0.04112853076029 0.91970587553556 15.999 > 40 80 O 0.10020632343089 0.54112853076029 0.91970587553556 15.999 > 40 81 O 0.08143961097451 0.12354765521098 0.23876168965538 15.999 > 41 82 O 0.08143961097451 0.62354765521098 0.23876168965538 15.999 > 41 *83 O 0.17273628072974 0.10101439502350 0.58174085369162 15.999 > 42 84 O 0.17273628072974 0.60101439502350 0.58174085369162 15.999 > 42 *85 O 0.66235754778576 0.47985477158692 0.91993916279688 15.999 > 43 86 O 0.66235754778576 0.97985477158692 0.91993916279688 15.999 > 43 87 O 0.82726371927026 0.39898560497650 0.41825914630838 15.999 > 44 88 O 0.82726371927026 0.89898560497650 0.41825914630838 15.999 > 44 89 O 0.88823845678502 0.19467704496424 0.74575741094349 15.999 > 45 90 O 0.88823845678502 0.69467704496424 0.74575741094349 15.999 > 45 91 O 0.33764245221424 0.22985477158692 0.58006083720312 15.999 > 46 92 O 0.33764245221424 0.72985477158692 0.58006083720312 15.999 > 46 93 O 0.10020632343089 0.20887146923971 0.41970587553555 15.999 > 47 94 O 0.10020632343089 0.70887146923971 0.41970587553555 15.999 > 47 95 O 0.88823845678502 0.05532295503576 0.24575741094348 15.999 > 48 96 O 0.88823845678502 0.55532295503576 0.24575741094348 15.999 > 48 97 O 0.44083740901698 0.12090797751345 0.78135220002621 15.999 > 49 98 O 0.44083740901698 0.62090797751345 0.78135220002621 15.999 > 49 99 O 0.82726371927026 0.35101439502350 0.91825914630838 15.999 > 50 100 O 0.82726371927026 0.85101439502350 0.91825914630838 15.999 > 50 101 O 0.11729302122622 0.48597216868437 0.39549288663539 15.999 > 51 102 O 0.11729302122622 0.98597216868437 0.39549288663539 15.999 > 51 103 O 0.33764245221424 0.02014522841308 0.08006083720312 15.999 > 52 104 O 0.33764245221424 0.52014522841308 0.08006083720312 15.999 > 52 105 O 0.26383077900706 0.23239496641263 0.76192265685915 15.999 > 53 106 O 0.26383077900706 0.73239496641263 0.76192265685915 15.999 > 53 107 O 0.66200218373767 0.33910842662312 0.60152587464733 15.999 > 54 108 O 0.66200218373767 0.83910842662312 0.60152587464733 15.999 > 54 109 O 0.11176154321498 0.30532295503576 0.25424258905651 15.999 > 55 110 O 0.11176154321498 0.80532295503576 0.25424258905651 15.999 > 55 *111 O 0.42097233799598 0.22825576067477 0.10521430262952 15.999 > 56 112 O 0.42097233799598 0.72825576067477 0.10521430262952 15.999 > 56 113 O 0.39206855227811 0.44244437833411 0.75136105098555 15.999 > 57 114 O 0.39206855227811 0.94244437833411 0.75136105098555 15.999 > 57 115 O 0.89979367656911 0.29112853076029 0.58029412446444 15.999 > 58 116 O 0.89979367656911 0.79112853076029 0.58029412446444 15.999 > 58 117 O 0.57902766200402 0.47825576067477 0.39478569737047 15.999 > 59 118 O 0.57902766200402 0.97825576067477 0.39478569737047 15.999 > 59 119 O 0.88270697877378 0.23597216868437 0.10450711336462 15.999 > 60 120 O 0.88270697877378 0.73597216868437 0.10450711336462 15.999 > 60 121 O 0.60793144772189 0.19244437833411 0.74863894901445 15.999 > 61 122 O 0.60793144772189 0.69244437833411 0.74863894901445 15.999 > 61 123 O 0.33799781626233 0.16089157337688 0.39847412535267 15.999 > 62 124 O 0.33799781626233 0.66089157337688 0.39847412535267 15.999 > 62 125 O 0.55916259098302 0.37909202248655 0.21864779997379 15.999 > 63 126 O 0.55916259098302 0.87909202248655 0.21864779997379 15.999 > 63 127 O 0.17273628072974 0.14898560497650 0.08174085369162 15.999 > 64 128 O 0.17273628072974 0.64898560497650 0.08174085369162 15.999 > 64 129 O 0.57902766200402 0.27174423932523 0.89478569737047 15.999 > 65 130 O 0.57902766200402 0.77174423932523 0.89478569737047 15.999 > 65 131 O 0.66235754778576 0.27014522841308 0.41993916279687 15.999 > 66 132 O 0.66235754778576 0.77014522841308 0.41993916279687 15.999 > 66 133 O 0.42097233799598 0.02174423932523 0.60521430262953 15.999 > 67 134 O 0.42097233799598 0.52174423932523 0.60521430262953 15.999 > 67 135 O 0.26383077900706 0.01760503358737 0.26192265685916 15.999 > 68 136 O 0.26383077900706 0.51760503358737 0.26192265685916 15.999 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2249629 0.0000000 0.0247753 0.0000000 4.1614503 0.0000000 0.0247779 0.0000000 4.3602593 -------------------------- Born effective charges -------------------------- 1 Cs 1.3982980 -0.0085697 -0.0390492 -0.1215278 1.4428434 0.0043690 0.0638800 -0.0466851 1.5233254 2 Cs 1.4394399 0.0267681 0.0489304 -0.0719496 1.4134147 0.0604433 -0.0372392 -0.0245262 1.3198104 3 Cs 1.4394399 0.0267681 0.0489304 -0.0719496 1.4134147 0.0604433 -0.0372392 -0.0245262 1.3198104 4 Cs 1.3982980 0.0085697 -0.0390492 0.1215278 1.4428434 -0.0043690 0.0638800 0.0466851 1.5233254 5 Cs 1.3982980 0.0085697 -0.0390492 0.1215278 1.4428434 -0.0043690 0.0638800 0.0466851 1.5233254 6 Cs 1.4394399 -0.0267681 0.0489304 0.0719496 1.4134147 -0.0604433 -0.0372392 0.0245262 1.3198104 7 Cs 1.4394399 -0.0267681 0.0489304 0.0719496 1.4134147 -0.0604433 -0.0372392 0.0245262 1.3198104 8 Cs 1.3982980 -0.0085697 -0.0390492 -0.1215278 1.4428434 0.0043690 0.0638800 -0.0466851 1.5233254 9 I 7.7411887 -0.3183733 -0.5713369 -0.3474962 2.4946334 0.4531634 -0.2760285 0.4532644 4.5392351 10 I 3.8508397 -0.5254220 0.1484575 0.0675761 3.7952818 0.1905661 0.4896503 0.4021917 5.1941565 11 I 3.6170855 2.0778687 0.7237545 1.6721764 6.1133515 0.7471898 0.1815942 0.5024168 5.0119597 12 I 3.9450284 -2.1790683 0.1221433 -2.2310801 6.0831605 -0.4547908 0.1434141 -0.3427480 4.6482072 13 I 3.6170855 2.0778687 0.7237545 1.6721764 6.1133515 0.7471898 0.1815942 0.5024168 5.0119597 14 I 3.8508397 0.5254220 0.1484575 -0.0675761 3.7952818 -0.1905661 0.4896503 -0.4021917 5.1941565 15 I 3.9450284 2.1790683 0.1221433 2.2310801 6.0831605 0.4547908 0.1434141 0.3427480 4.6482072 16 I 3.6170855 -2.0778687 0.7237545 -1.6721764 6.1133515 -0.7471898 0.1815942 -0.5024168 5.0119597 17 I 7.7411887 -0.3183733 -0.5713369 -0.3474962 2.4946334 0.4531634 -0.2760285 0.4532644 4.5392351 18 I 3.6170855 -2.0778687 0.7237545 -1.6721764 6.1133515 -0.7471898 0.1815942 -0.5024168 5.0119597 19 I 7.7411887 0.3183733 -0.5713369 0.3474962 2.4946334 -0.4531634 -0.2760285 -0.4532644 4.5392351 20 I 3.9450284 2.1790683 0.1221433 2.2310801 6.0831605 0.4547908 0.1434141 0.3427480 4.6482072 21 I 7.7411887 0.3183733 -0.5713369 0.3474962 2.4946334 -0.4531634 -0.2760285 -0.4532644 4.5392351 22 I 3.9450284 -2.1790683 0.1221433 -2.2310801 6.0831605 -0.4547908 0.1434141 -0.3427480 4.6482072 23 I 3.8508397 0.5254220 0.1484575 -0.0675761 3.7952818 -0.1905661 0.4896503 -0.4021917 5.1941565 24 I 3.8508397 -0.5254220 0.1484575 0.0675761 3.7952818 0.1905661 0.4896503 0.4021917 5.1941565 25 O -0.9158423 -0.2736532 -0.7652670 -0.1272518 -1.2767359 -0.5993881 0.0249123 -0.5341450 -3.0656190 26 O -2.1981734 -0.0337305 0.0272260 0.1499196 -1.9902441 -0.0398333 0.2035240 0.1086880 -0.8938705 27 O -1.5215620 -0.0134220 0.9447136 -0.0366768 -0.8526608 0.4894282 0.6631855 0.0163534 -3.0542262 28 O -4.0769529 -0.3692227 -0.2015253 0.8617807 -3.4578706 0.1995983 -0.3354199 0.2014475 -0.7919940 29 O -4.0769529 0.3692227 -0.2015253 -0.8617807 -3.4578706 -0.1995983 -0.3354199 -0.2014475 -0.7919940 30 O -1.5215620 -0.0134220 0.9447136 -0.0366768 -0.8526608 0.4894282 0.6631855 0.0163534 -3.0542262 31 O -3.8500785 0.9061524 0.1146754 -0.3749400 -3.8117037 0.1316844 0.0793967 0.2680167 -0.8399711 32 O -2.1599332 0.2194898 -0.0036321 0.1252354 -2.0432576 0.0509134 0.0317412 -0.3331670 -0.8535974 33 O -2.1981734 0.0337305 0.0272260 -0.1499196 -1.9902441 0.0398333 0.2035240 -0.1086880 -0.8938705 34 O -1.2524330 -0.3646457 -0.3800133 -0.4735183 -1.4058776 -0.6390955 -1.1586257 -1.3584420 -3.2769596 35 O -0.9158423 0.2736532 -0.7652670 0.1272518 -1.2767359 0.5993881 0.0249123 0.5341450 -3.0656190 36 O -3.8500785 0.9061524 0.1146754 -0.3749400 -3.8117037 0.1316844 0.0793967 0.2680167 -0.8399711 37 O -1.9729484 -0.1763762 -0.0554968 0.1460974 -2.3836323 0.0006101 -0.1958505 0.0602361 -0.9281032 38 O -2.1599332 -0.2194898 -0.0036321 -0.1252354 -2.0432576 -0.0509134 0.0317412 0.3331670 -0.8535974 39 O -4.0769529 0.3692227 -0.2015253 -0.8617807 -3.4578706 -0.1995983 -0.3354199 -0.2014475 -0.7919940 40 O -1.2524330 -0.3646457 -0.3800133 -0.4735183 -1.4058776 -0.6390955 -1.1586257 -1.3584420 -3.2769596 41 O -4.0769529 -0.3692227 -0.2015253 0.8617807 -3.4578706 0.1995983 -0.3354199 0.2014475 -0.7919940 42 O -1.8608494 -0.1731511 1.0184095 -0.4678764 -1.0542218 0.4252000 1.2395080 0.2752692 -2.8075512 43 O -1.1462963 0.7644391 -0.8111948 0.2265251 -1.7394112 0.8740087 -0.5659274 1.1590036 -2.6966413 44 O -1.8608494 -0.1731511 1.0184095 -0.4678764 -1.0542218 0.4252000 1.2395080 0.2752692 -2.8075512 45 O -1.9729484 0.1763762 -0.0554968 -0.1460974 -2.3836323 -0.0006101 -0.1958505 -0.0602361 -0.9281032 46 O -1.1462963 -0.7644391 -0.8111948 -0.2265251 -1.7394112 -0.8740087 -0.5659274 -1.1590036 -2.6966413 47 O -1.2524330 0.3646457 -0.3800133 0.4735183 -1.4058776 0.6390955 -1.1586257 1.3584420 -3.2769596 48 O -1.9729484 -0.1763762 -0.0554968 0.1460974 -2.3836323 0.0006101 -0.1958505 0.0602361 -0.9281032 49 O -3.8500785 -0.9061524 0.1146754 0.3749400 -3.8117037 -0.1316844 0.0793967 -0.2680167 -0.8399711 50 O -1.8608494 0.1731511 1.0184095 0.4678764 -1.0542218 -0.4252000 1.2395080 -0.2752692 -2.8075512 51 O -0.9158423 -0.2736532 -0.7652670 -0.1272518 -1.2767359 -0.5993881 0.0249123 -0.5341450 -3.0656190 52 O -1.1462963 0.7644391 -0.8111948 0.2265251 -1.7394112 0.8740087 -0.5659274 1.1590036 -2.6966413 53 O -2.1599332 -0.2194898 -0.0036321 -0.1252354 -2.0432576 -0.0509134 0.0317412 0.3331670 -0.8535974 54 O -1.5215620 0.0134220 0.9447136 0.0366768 -0.8526608 -0.4894282 0.6631855 -0.0163534 -3.0542262 55 O -1.9729484 0.1763762 -0.0554968 -0.1460974 -2.3836323 -0.0006101 -0.1958505 -0.0602361 -0.9281032 56 O -1.0368112 -0.2968848 -0.3207948 -0.4030859 -1.3270697 -1.0721646 -0.5517151 -0.5184190 -3.0281610 57 O -2.1981734 -0.0337305 0.0272260 0.1499196 -1.9902441 -0.0398333 0.2035240 0.1086880 -0.8938705 58 O -1.2524330 0.3646457 -0.3800133 0.4735183 -1.4058776 0.6390955 -1.1586257 1.3584420 -3.2769596 59 O -1.0368112 0.2968848 -0.3207948 0.4030859 -1.3270697 1.0721646 -0.5517151 0.5184190 -3.0281610 60 O -0.9158423 0.2736532 -0.7652670 0.1272518 -1.2767359 0.5993881 0.0249123 0.5341450 -3.0656190 61 O -2.1981734 0.0337305 0.0272260 -0.1499196 -1.9902441 0.0398333 0.2035240 -0.1086880 -0.8938705 62 O -1.5215620 0.0134220 0.9447136 0.0366768 -0.8526608 -0.4894282 0.6631855 -0.0163534 -3.0542262 63 O -3.8500785 -0.9061524 0.1146754 0.3749400 -3.8117037 -0.1316844 0.0793967 -0.2680167 -0.8399711 64 O -1.8608494 0.1731511 1.0184095 0.4678764 -1.0542218 -0.4252000 1.2395080 -0.2752692 -2.8075512 65 O -1.0368112 -0.2968848 -0.3207948 -0.4030859 -1.3270697 -1.0721646 -0.5517151 -0.5184190 -3.0281610 66 O -1.1462963 -0.7644391 -0.8111948 -0.2265251 -1.7394112 -0.8740087 -0.5659274 -1.1590036 -2.6966413 67 O -1.0368112 0.2968848 -0.3207948 0.4030859 -1.3270697 1.0721646 -0.5517151 0.5184190 -3.0281610 68 O -2.1599332 0.2194898 -0.0036321 0.1252354 -2.0432576 0.0509134 0.0317412 -0.3331670 -0.8535974 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (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 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 287 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 123 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (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 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 287 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 123 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (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 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (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 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (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 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 123), data: (2312, 157) @ (157, 123) |-- (312, 287), data: True |-- (500, 468), data: False |-- (500, 17), data: (500, 49) @ (49, 17) |-- (250, 226), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 20), data: (500, 54) @ (54, 20) |-- (250, 220), data: True |-- (250, 226), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 123), data: (2312, 157) @ (157, 123) |-- (312, 287), data: True |-- (500, 468), data: False |-- (500, 17), data: (500, 49) @ (49, 17) |-- (250, 226), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 20), data: (500, 54) @ (54, 20) |-- (250, 220), data: True |-- (250, 226), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.588 Solver_block: 200 / 2080 - Time: 3.161 Solver_block: 300 / 2080 - Time: 3.151 Solver_block: 400 / 2080 - Time: 3.153 Solver_block: 500 / 2080 - Time: 3.156 Solver_block: 600 / 2080 - Time: 3.148 Solver_block: 700 / 2080 - Time: 3.152 Solver_block: 800 / 2080 - Time: 3.156 Solver_block: 900 / 2080 - Time: 3.148 Solver_block: 1000 / 2080 - Time: 3.152 Solver_block: 1100 / 2080 - Time: 3.148 Solver_block: 1200 / 2080 - Time: 3.149 Solver_block: 1300 / 2080 - Time: 3.151 Solver_block: 1400 / 2080 - Time: 3.158 Solver_block: 1500 / 2080 - Time: 3.155 Solver_block: 1600 / 2080 - Time: 3.158 Solver_block: 1700 / 2080 - Time: 3.149 Solver_block: 1800 / 2080 - Time: 3.144 Solver_block: 1900 / 2080 - Time: 3.159 Solver_block: 2000 / 2080 - Time: 3.148 Solver_block: 2080 / 2080 - Time: 2.611 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 68.046 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (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 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 287 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 123 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (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 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 287 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 123 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (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 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (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 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (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 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 123), data: (2312, 157) @ (157, 123) |-- (312, 287), data: True |-- (500, 468), data: False |-- (500, 17), data: (500, 49) @ (49, 17) |-- (250, 226), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 20), data: (500, 54) @ (54, 20) |-- (250, 220), data: True |-- (250, 226), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 123), data: (2312, 157) @ (157, 123) |-- (312, 287), data: True |-- (500, 468), data: False |-- (500, 17), data: (500, 49) @ (49, 17) |-- (250, 226), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 20), data: (500, 54) @ (54, 20) |-- (250, 220), data: True |-- (250, 226), 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:39:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:39:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.637729110459683 0.000000000000000 0.000000000000000 b 0.000000000000000 7.301802310000002 0.000000000000000 c -8.436400095902224 0.000000000000000 13.495299056422072 Atomic positions (fractional): 1 Cs 0.62365156875987 0.24790002929589 0.05965087862741 132.905 2 Cs 0.87106932771056 0.24848038910635 0.43100907681835 132.905 3 Cs 0.12893067228944 0.75151961089365 0.56899092318165 132.905 4 Cs 0.37634843124013 0.74790002929589 0.44034912137259 132.905 5 Cs 0.62365156875987 0.25209997070411 0.55965087862741 132.905 6 Cs 0.87106932771056 0.25151961089365 0.93100907681835 132.905 7 Cs 0.12893067228944 0.74848038910635 0.06899092318165 132.905 8 Cs 0.37634843124013 0.75209997070411 0.94034912137259 132.905 9 I 0.26461346497615 0.28427658396276 0.26586668249357 126.904 10 I 0.76596559780009 0.77145817116874 0.99558432966334 126.904 11 I 0.98556705613958 0.03554599926004 0.73893224739748 126.904 12 I 0.51115922271277 0.99602389072541 0.73802193018860 126.904 13 I 0.01443294386042 0.96445400073996 0.26106775260252 126.904 14 I 0.76596559780009 0.72854182883126 0.49558432966334 126.904 15 I 0.51115922271277 0.50397610927459 0.23802193018860 126.904 16 I 0.98556705613958 0.46445400073996 0.23893224739748 126.904 17 I 0.73538653502385 0.71572341603724 0.73413331750642 126.904 18 I 0.01443294386042 0.53554599926004 0.76106775260252 126.904 19 I 0.73538653502385 0.78427658396276 0.23413331750642 126.904 20 I 0.48884077728724 0.49602389072541 0.76197806981140 126.904 21 I 0.26461346497615 0.21572341603724 0.76586668249358 126.904 22 I 0.48884077728724 0.00397610927458 0.26197806981140 126.904 23 I 0.23403440219991 0.27145817116874 0.50441567033666 126.904 24 I 0.23403440219991 0.22854182883126 0.00441567033666 126.904 25 O 0.88270697877378 0.02805566263125 0.60450711336462 15.999 26 O 0.60793144772189 0.11511124333178 0.24863894901445 15.999 27 O 0.33799781626233 0.17821685324625 0.89847412535267 15.999 28 O 0.91856038902549 0.75290468957803 0.76123831034462 15.999 29 O 0.08143961097451 0.25290468957803 0.73876168965538 15.999 30 O 0.66200218373767 0.82178314675375 0.10152587464733 15.999 31 O 0.55916259098302 0.74181595502690 0.71864779997379 15.999 32 O 0.73616922099294 0.96478993282527 0.73807734314085 15.999 33 O 0.39206855227811 0.61511124333178 0.25136105098555 15.999 34 O 0.89979367656911 0.91774293847942 0.08029412446445 15.999 35 O 0.11729302122622 0.52805566263125 0.89549288663538 15.999 36 O 0.44083740901698 0.25818404497310 0.28135220002621 15.999 37 O 0.11176154321498 0.88935408992847 0.75424258905651 15.999 38 O 0.73616922099294 0.53521006717473 0.23807734314084 15.999 39 O 0.91856038902549 0.74709531042197 0.26123831034462 15.999 40 O 0.10020632343089 0.08225706152058 0.91970587553556 15.999 41 O 0.08143961097451 0.24709531042197 0.23876168965538 15.999 42 O 0.17273628072974 0.20202879004700 0.58174085369162 15.999 43 O 0.66235754778576 0.95970954317384 0.91993916279688 15.999 44 O 0.82726371927026 0.79797120995299 0.41825914630838 15.999 45 O 0.88823845678502 0.38935408992847 0.74575741094349 15.999 46 O 0.33764245221424 0.45970954317384 0.58006083720312 15.999 47 O 0.10020632343089 0.41774293847942 0.41970587553555 15.999 48 O 0.88823845678502 0.11064591007152 0.24575741094348 15.999 49 O 0.44083740901698 0.24181595502690 0.78135220002621 15.999 50 O 0.82726371927026 0.70202879004701 0.91825914630838 15.999 51 O 0.11729302122622 0.97194433736875 0.39549288663539 15.999 52 O 0.33764245221424 0.04029045682616 0.08006083720312 15.999 53 O 0.26383077900706 0.46478993282526 0.76192265685915 15.999 54 O 0.66200218373767 0.67821685324625 0.60152587464733 15.999 55 O 0.11176154321498 0.61064591007153 0.25424258905651 15.999 56 O 0.42097233799598 0.45651152134953 0.10521430262952 15.999 57 O 0.39206855227811 0.88488875666822 0.75136105098555 15.999 58 O 0.89979367656911 0.58225706152058 0.58029412446444 15.999 59 O 0.57902766200402 0.95651152134953 0.39478569737047 15.999 60 O 0.88270697877378 0.47194433736875 0.10450711336462 15.999 61 O 0.60793144772189 0.38488875666822 0.74863894901445 15.999 62 O 0.33799781626233 0.32178314675375 0.39847412535267 15.999 63 O 0.55916259098302 0.75818404497310 0.21864779997379 15.999 64 O 0.17273628072974 0.29797120995299 0.08174085369162 15.999 65 O 0.57902766200402 0.54348847865047 0.89478569737047 15.999 66 O 0.66235754778576 0.54029045682616 0.41993916279687 15.999 67 O 0.42097233799598 0.04348847865046 0.60521430262953 15.999 68 O 0.26383077900706 0.03521006717474 0.26192265685916 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.637729110459683 0.000000000000000 0.000000000000000 b 0.000000000000000 14.603604620000004 0.000000000000000 c -8.436400095902224 0.000000000000000 13.495299056422072 Atomic positions (fractional): 1 Cs 0.62365156875987 0.12395001464794 0.05965087862741 132.905 > 1 2 Cs 0.62365156875987 0.62395001464794 0.05965087862741 132.905 > 1 3 Cs 0.87106932771056 0.12424019455318 0.43100907681835 132.905 > 3 4 Cs 0.87106932771056 0.62424019455318 0.43100907681835 132.905 > 3 5 Cs 0.12893067228944 0.37575980544682 0.56899092318165 132.905 > 5 6 Cs 0.12893067228944 0.87575980544682 0.56899092318165 132.905 > 5 7 Cs 0.37634843124013 0.37395001464794 0.44034912137259 132.905 > 7 8 Cs 0.37634843124013 0.87395001464794 0.44034912137259 132.905 > 7 9 Cs 0.62365156875987 0.12604998535206 0.55965087862741 132.905 > 9 10 Cs 0.62365156875987 0.62604998535206 0.55965087862741 132.905 > 9 11 Cs 0.87106932771056 0.12575980544682 0.93100907681835 132.905 > 11 12 Cs 0.87106932771056 0.62575980544682 0.93100907681835 132.905 > 11 13 Cs 0.12893067228944 0.37424019455318 0.06899092318165 132.905 > 13 14 Cs 0.12893067228944 0.87424019455318 0.06899092318165 132.905 > 13 15 Cs 0.37634843124013 0.37604998535206 0.94034912137259 132.905 > 15 16 Cs 0.37634843124013 0.87604998535206 0.94034912137259 132.905 > 15 17 I 0.26461346497615 0.14213829198138 0.26586668249357 126.904 > 17 18 I 0.26461346497615 0.64213829198138 0.26586668249357 126.904 > 17 19 I 0.76596559780009 0.38572908558437 0.99558432966334 126.904 > 19 20 I 0.76596559780009 0.88572908558437 0.99558432966334 126.904 > 19 21 I 0.98556705613958 0.01777299963002 0.73893224739748 126.904 > 21 22 I 0.98556705613958 0.51777299963002 0.73893224739748 126.904 > 21 23 I 0.51115922271277 0.49801194536271 0.73802193018860 126.904 > 23 24 I 0.51115922271277 0.99801194536271 0.73802193018860 126.904 > 23 25 I 0.01443294386042 0.48222700036998 0.26106775260252 126.904 > 25 26 I 0.01443294386042 0.98222700036998 0.26106775260252 126.904 > 25 27 I 0.76596559780009 0.36427091441563 0.49558432966334 126.904 > 27 28 I 0.76596559780009 0.86427091441563 0.49558432966334 126.904 > 27 29 I 0.51115922271277 0.25198805463729 0.23802193018860 126.904 > 29 30 I 0.51115922271277 0.75198805463729 0.23802193018860 126.904 > 29 31 I 0.98556705613958 0.23222700036998 0.23893224739748 126.904 > 31 32 I 0.98556705613958 0.73222700036998 0.23893224739748 126.904 > 31 33 I 0.73538653502385 0.35786170801862 0.73413331750642 126.904 > 33 34 I 0.73538653502385 0.85786170801862 0.73413331750642 126.904 > 33 35 I 0.01443294386042 0.26777299963002 0.76106775260252 126.904 > 35 36 I 0.01443294386042 0.76777299963002 0.76106775260252 126.904 > 35 37 I 0.73538653502385 0.39213829198138 0.23413331750642 126.904 > 37 38 I 0.73538653502385 0.89213829198138 0.23413331750642 126.904 > 37 39 I 0.48884077728724 0.24801194536271 0.76197806981140 126.904 > 39 40 I 0.48884077728724 0.74801194536271 0.76197806981140 126.904 > 39 41 I 0.26461346497615 0.10786170801862 0.76586668249358 126.904 > 41 42 I 0.26461346497615 0.60786170801862 0.76586668249358 126.904 > 41 43 I 0.48884077728724 0.00198805463729 0.26197806981140 126.904 > 43 44 I 0.48884077728724 0.50198805463729 0.26197806981140 126.904 > 43 45 I 0.23403440219991 0.13572908558437 0.50441567033666 126.904 > 45 46 I 0.23403440219991 0.63572908558437 0.50441567033666 126.904 > 45 47 I 0.23403440219991 0.11427091441563 0.00441567033666 126.904 > 47 48 I 0.23403440219991 0.61427091441563 0.00441567033666 126.904 > 47 49 O 0.88270697877378 0.01402783131563 0.60450711336462 15.999 > 49 50 O 0.88270697877378 0.51402783131563 0.60450711336462 15.999 > 49 51 O 0.60793144772189 0.05755562166589 0.24863894901445 15.999 > 51 52 O 0.60793144772189 0.55755562166589 0.24863894901445 15.999 > 51 53 O 0.33799781626233 0.08910842662312 0.89847412535267 15.999 > 53 54 O 0.33799781626233 0.58910842662312 0.89847412535267 15.999 > 53 55 O 0.91856038902549 0.37645234478902 0.76123831034462 15.999 > 55 56 O 0.91856038902549 0.87645234478902 0.76123831034462 15.999 > 55 57 O 0.08143961097451 0.12645234478901 0.73876168965538 15.999 > 57 58 O 0.08143961097451 0.62645234478902 0.73876168965538 15.999 > 57 59 O 0.66200218373767 0.41089157337688 0.10152587464733 15.999 > 59 60 O 0.66200218373767 0.91089157337688 0.10152587464733 15.999 > 59 61 O 0.55916259098302 0.37090797751345 0.71864779997379 15.999 > 61 62 O 0.55916259098302 0.87090797751345 0.71864779997379 15.999 > 61 63 O 0.73616922099294 0.48239496641263 0.73807734314085 15.999 > 63 64 O 0.73616922099294 0.98239496641263 0.73807734314085 15.999 > 63 65 O 0.39206855227811 0.30755562166589 0.25136105098555 15.999 > 65 66 O 0.39206855227811 0.80755562166589 0.25136105098555 15.999 > 65 67 O 0.89979367656911 0.45887146923971 0.08029412446445 15.999 > 67 68 O 0.89979367656911 0.95887146923971 0.08029412446445 15.999 > 67 69 O 0.11729302122622 0.26402783131563 0.89549288663538 15.999 > 69 70 O 0.11729302122622 0.76402783131563 0.89549288663538 15.999 > 69 71 O 0.44083740901698 0.12909202248655 0.28135220002621 15.999 > 71 72 O 0.44083740901698 0.62909202248655 0.28135220002621 15.999 > 71 73 O 0.11176154321498 0.44467704496424 0.75424258905651 15.999 > 73 74 O 0.11176154321498 0.94467704496424 0.75424258905651 15.999 > 73 75 O 0.73616922099294 0.26760503358737 0.23807734314084 15.999 > 75 76 O 0.73616922099294 0.76760503358737 0.23807734314084 15.999 > 75 77 O 0.91856038902549 0.37354765521098 0.26123831034462 15.999 > 77 78 O 0.91856038902549 0.87354765521098 0.26123831034462 15.999 > 77 79 O 0.10020632343089 0.04112853076029 0.91970587553556 15.999 > 79 80 O 0.10020632343089 0.54112853076029 0.91970587553556 15.999 > 79 81 O 0.08143961097451 0.12354765521098 0.23876168965538 15.999 > 81 82 O 0.08143961097451 0.62354765521098 0.23876168965538 15.999 > 81 83 O 0.17273628072974 0.10101439502350 0.58174085369162 15.999 > 83 84 O 0.17273628072974 0.60101439502350 0.58174085369162 15.999 > 83 85 O 0.66235754778576 0.47985477158692 0.91993916279688 15.999 > 85 86 O 0.66235754778576 0.97985477158692 0.91993916279688 15.999 > 85 87 O 0.82726371927026 0.39898560497650 0.41825914630838 15.999 > 87 88 O 0.82726371927026 0.89898560497650 0.41825914630838 15.999 > 87 89 O 0.88823845678502 0.19467704496424 0.74575741094349 15.999 > 89 90 O 0.88823845678502 0.69467704496424 0.74575741094349 15.999 > 89 91 O 0.33764245221424 0.22985477158692 0.58006083720312 15.999 > 91 92 O 0.33764245221424 0.72985477158692 0.58006083720312 15.999 > 91 93 O 0.10020632343089 0.20887146923971 0.41970587553555 15.999 > 93 94 O 0.10020632343089 0.70887146923971 0.41970587553555 15.999 > 93 95 O 0.88823845678502 0.05532295503576 0.24575741094348 15.999 > 95 96 O 0.88823845678502 0.55532295503576 0.24575741094348 15.999 > 95 97 O 0.44083740901698 0.12090797751345 0.78135220002621 15.999 > 97 98 O 0.44083740901698 0.62090797751345 0.78135220002621 15.999 > 97 99 O 0.82726371927026 0.35101439502350 0.91825914630838 15.999 > 99 100 O 0.82726371927026 0.85101439502350 0.91825914630838 15.999 > 99 101 O 0.11729302122622 0.48597216868437 0.39549288663539 15.999 > 101 102 O 0.11729302122622 0.98597216868437 0.39549288663539 15.999 > 101 103 O 0.33764245221424 0.02014522841308 0.08006083720312 15.999 > 103 104 O 0.33764245221424 0.52014522841308 0.08006083720312 15.999 > 103 105 O 0.26383077900706 0.23239496641263 0.76192265685915 15.999 > 105 106 O 0.26383077900706 0.73239496641263 0.76192265685915 15.999 > 105 107 O 0.66200218373767 0.33910842662312 0.60152587464733 15.999 > 107 108 O 0.66200218373767 0.83910842662312 0.60152587464733 15.999 > 107 109 O 0.11176154321498 0.30532295503576 0.25424258905651 15.999 > 109 110 O 0.11176154321498 0.80532295503576 0.25424258905651 15.999 > 109 111 O 0.42097233799598 0.22825576067477 0.10521430262952 15.999 > 111 112 O 0.42097233799598 0.72825576067477 0.10521430262952 15.999 > 111 113 O 0.39206855227811 0.44244437833411 0.75136105098555 15.999 > 113 114 O 0.39206855227811 0.94244437833411 0.75136105098555 15.999 > 113 115 O 0.89979367656911 0.29112853076029 0.58029412446444 15.999 > 115 116 O 0.89979367656911 0.79112853076029 0.58029412446444 15.999 > 115 117 O 0.57902766200402 0.47825576067477 0.39478569737047 15.999 > 117 118 O 0.57902766200402 0.97825576067477 0.39478569737047 15.999 > 117 119 O 0.88270697877378 0.23597216868437 0.10450711336462 15.999 > 119 120 O 0.88270697877378 0.73597216868437 0.10450711336462 15.999 > 119 121 O 0.60793144772189 0.19244437833411 0.74863894901445 15.999 > 121 122 O 0.60793144772189 0.69244437833411 0.74863894901445 15.999 > 121 123 O 0.33799781626233 0.16089157337688 0.39847412535267 15.999 > 123 124 O 0.33799781626233 0.66089157337688 0.39847412535267 15.999 > 123 125 O 0.55916259098302 0.37909202248655 0.21864779997379 15.999 > 125 126 O 0.55916259098302 0.87909202248655 0.21864779997379 15.999 > 125 127 O 0.17273628072974 0.14898560497650 0.08174085369162 15.999 > 127 128 O 0.17273628072974 0.64898560497650 0.08174085369162 15.999 > 127 129 O 0.57902766200402 0.27174423932523 0.89478569737047 15.999 > 129 130 O 0.57902766200402 0.77174423932523 0.89478569737047 15.999 > 129 131 O 0.66235754778576 0.27014522841308 0.41993916279687 15.999 > 131 132 O 0.66235754778576 0.77014522841308 0.41993916279687 15.999 > 131 133 O 0.42097233799598 0.02174423932523 0.60521430262953 15.999 > 133 134 O 0.42097233799598 0.52174423932523 0.60521430262953 15.999 > 133 135 O 0.26383077900706 0.01760503358737 0.26192265685916 15.999 > 135 136 O 0.26383077900706 0.51760503358737 0.26192265685916 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2249629 0.0000000 0.0247753 0.0000000 4.1614503 0.0000000 0.0247779 0.0000000 4.3602593 -------------------------- Born effective charges -------------------------- 1 Cs 1.3982980 -0.0085697 -0.0390492 -0.1215278 1.4428434 0.0043690 0.0638800 -0.0466851 1.5233254 2 Cs 1.4394399 0.0267681 0.0489304 -0.0719496 1.4134147 0.0604433 -0.0372392 -0.0245262 1.3198104 3 Cs 1.4394399 0.0267681 0.0489304 -0.0719496 1.4134147 0.0604433 -0.0372392 -0.0245262 1.3198104 4 Cs 1.3982980 0.0085697 -0.0390492 0.1215278 1.4428434 -0.0043690 0.0638800 0.0466851 1.5233254 5 Cs 1.3982980 0.0085697 -0.0390492 0.1215278 1.4428434 -0.0043690 0.0638800 0.0466851 1.5233254 6 Cs 1.4394399 -0.0267681 0.0489304 0.0719496 1.4134147 -0.0604433 -0.0372392 0.0245262 1.3198104 7 Cs 1.4394399 -0.0267681 0.0489304 0.0719496 1.4134147 -0.0604433 -0.0372392 0.0245262 1.3198104 8 Cs 1.3982980 -0.0085697 -0.0390492 -0.1215278 1.4428434 0.0043690 0.0638800 -0.0466851 1.5233254 9 I 7.7411887 -0.3183733 -0.5713369 -0.3474962 2.4946334 0.4531634 -0.2760285 0.4532644 4.5392351 10 I 3.8508397 -0.5254220 0.1484575 0.0675761 3.7952818 0.1905661 0.4896503 0.4021917 5.1941565 11 I 3.6170855 2.0778687 0.7237545 1.6721764 6.1133515 0.7471898 0.1815942 0.5024168 5.0119597 12 I 3.9450284 -2.1790683 0.1221433 -2.2310801 6.0831605 -0.4547908 0.1434141 -0.3427480 4.6482072 13 I 3.6170855 2.0778687 0.7237545 1.6721764 6.1133515 0.7471898 0.1815942 0.5024168 5.0119597 14 I 3.8508397 0.5254220 0.1484575 -0.0675761 3.7952818 -0.1905661 0.4896503 -0.4021917 5.1941565 15 I 3.9450284 2.1790683 0.1221433 2.2310801 6.0831605 0.4547908 0.1434141 0.3427480 4.6482072 16 I 3.6170855 -2.0778687 0.7237545 -1.6721764 6.1133515 -0.7471898 0.1815942 -0.5024168 5.0119597 17 I 7.7411887 -0.3183733 -0.5713369 -0.3474962 2.4946334 0.4531634 -0.2760285 0.4532644 4.5392351 18 I 3.6170855 -2.0778687 0.7237545 -1.6721764 6.1133515 -0.7471898 0.1815942 -0.5024168 5.0119597 19 I 7.7411887 0.3183733 -0.5713369 0.3474962 2.4946334 -0.4531634 -0.2760285 -0.4532644 4.5392351 20 I 3.9450284 2.1790683 0.1221433 2.2310801 6.0831605 0.4547908 0.1434141 0.3427480 4.6482072 21 I 7.7411887 0.3183733 -0.5713369 0.3474962 2.4946334 -0.4531634 -0.2760285 -0.4532644 4.5392351 22 I 3.9450284 -2.1790683 0.1221433 -2.2310801 6.0831605 -0.4547908 0.1434141 -0.3427480 4.6482072 23 I 3.8508397 0.5254220 0.1484575 -0.0675761 3.7952818 -0.1905661 0.4896503 -0.4021917 5.1941565 24 I 3.8508397 -0.5254220 0.1484575 0.0675761 3.7952818 0.1905661 0.4896503 0.4021917 5.1941565 25 O -0.9158423 -0.2736532 -0.7652670 -0.1272518 -1.2767359 -0.5993881 0.0249123 -0.5341450 -3.0656190 26 O -2.1981734 -0.0337305 0.0272260 0.1499196 -1.9902441 -0.0398333 0.2035240 0.1086880 -0.8938705 27 O -1.5215620 -0.0134220 0.9447136 -0.0366768 -0.8526608 0.4894282 0.6631855 0.0163534 -3.0542262 28 O -4.0769529 -0.3692227 -0.2015253 0.8617807 -3.4578706 0.1995983 -0.3354199 0.2014475 -0.7919940 29 O -4.0769529 0.3692227 -0.2015253 -0.8617807 -3.4578706 -0.1995983 -0.3354199 -0.2014475 -0.7919940 30 O -1.5215620 -0.0134220 0.9447136 -0.0366768 -0.8526608 0.4894282 0.6631855 0.0163534 -3.0542262 31 O -3.8500785 0.9061524 0.1146754 -0.3749400 -3.8117037 0.1316844 0.0793967 0.2680167 -0.8399711 32 O -2.1599332 0.2194898 -0.0036321 0.1252354 -2.0432576 0.0509134 0.0317412 -0.3331670 -0.8535974 33 O -2.1981734 0.0337305 0.0272260 -0.1499196 -1.9902441 0.0398333 0.2035240 -0.1086880 -0.8938705 34 O -1.2524330 -0.3646457 -0.3800133 -0.4735183 -1.4058776 -0.6390955 -1.1586257 -1.3584420 -3.2769596 35 O -0.9158423 0.2736532 -0.7652670 0.1272518 -1.2767359 0.5993881 0.0249123 0.5341450 -3.0656190 36 O -3.8500785 0.9061524 0.1146754 -0.3749400 -3.8117037 0.1316844 0.0793967 0.2680167 -0.8399711 37 O -1.9729484 -0.1763762 -0.0554968 0.1460974 -2.3836323 0.0006101 -0.1958505 0.0602361 -0.9281032 38 O -2.1599332 -0.2194898 -0.0036321 -0.1252354 -2.0432576 -0.0509134 0.0317412 0.3331670 -0.8535974 39 O -4.0769529 0.3692227 -0.2015253 -0.8617807 -3.4578706 -0.1995983 -0.3354199 -0.2014475 -0.7919940 40 O -1.2524330 -0.3646457 -0.3800133 -0.4735183 -1.4058776 -0.6390955 -1.1586257 -1.3584420 -3.2769596 41 O -4.0769529 -0.3692227 -0.2015253 0.8617807 -3.4578706 0.1995983 -0.3354199 0.2014475 -0.7919940 42 O -1.8608494 -0.1731511 1.0184095 -0.4678764 -1.0542218 0.4252000 1.2395080 0.2752692 -2.8075512 43 O -1.1462963 0.7644391 -0.8111948 0.2265251 -1.7394112 0.8740087 -0.5659274 1.1590036 -2.6966413 44 O -1.8608494 -0.1731511 1.0184095 -0.4678764 -1.0542218 0.4252000 1.2395080 0.2752692 -2.8075512 45 O -1.9729484 0.1763762 -0.0554968 -0.1460974 -2.3836323 -0.0006101 -0.1958505 -0.0602361 -0.9281032 46 O -1.1462963 -0.7644391 -0.8111948 -0.2265251 -1.7394112 -0.8740087 -0.5659274 -1.1590036 -2.6966413 47 O -1.2524330 0.3646457 -0.3800133 0.4735183 -1.4058776 0.6390955 -1.1586257 1.3584420 -3.2769596 48 O -1.9729484 -0.1763762 -0.0554968 0.1460974 -2.3836323 0.0006101 -0.1958505 0.0602361 -0.9281032 49 O -3.8500785 -0.9061524 0.1146754 0.3749400 -3.8117037 -0.1316844 0.0793967 -0.2680167 -0.8399711 50 O -1.8608494 0.1731511 1.0184095 0.4678764 -1.0542218 -0.4252000 1.2395080 -0.2752692 -2.8075512 51 O -0.9158423 -0.2736532 -0.7652670 -0.1272518 -1.2767359 -0.5993881 0.0249123 -0.5341450 -3.0656190 52 O -1.1462963 0.7644391 -0.8111948 0.2265251 -1.7394112 0.8740087 -0.5659274 1.1590036 -2.6966413 53 O -2.1599332 -0.2194898 -0.0036321 -0.1252354 -2.0432576 -0.0509134 0.0317412 0.3331670 -0.8535974 54 O -1.5215620 0.0134220 0.9447136 0.0366768 -0.8526608 -0.4894282 0.6631855 -0.0163534 -3.0542262 55 O -1.9729484 0.1763762 -0.0554968 -0.1460974 -2.3836323 -0.0006101 -0.1958505 -0.0602361 -0.9281032 56 O -1.0368112 -0.2968848 -0.3207948 -0.4030859 -1.3270697 -1.0721646 -0.5517151 -0.5184190 -3.0281610 57 O -2.1981734 -0.0337305 0.0272260 0.1499196 -1.9902441 -0.0398333 0.2035240 0.1086880 -0.8938705 58 O -1.2524330 0.3646457 -0.3800133 0.4735183 -1.4058776 0.6390955 -1.1586257 1.3584420 -3.2769596 59 O -1.0368112 0.2968848 -0.3207948 0.4030859 -1.3270697 1.0721646 -0.5517151 0.5184190 -3.0281610 60 O -0.9158423 0.2736532 -0.7652670 0.1272518 -1.2767359 0.5993881 0.0249123 0.5341450 -3.0656190 61 O -2.1981734 0.0337305 0.0272260 -0.1499196 -1.9902441 0.0398333 0.2035240 -0.1086880 -0.8938705 62 O -1.5215620 0.0134220 0.9447136 0.0366768 -0.8526608 -0.4894282 0.6631855 -0.0163534 -3.0542262 63 O -3.8500785 -0.9061524 0.1146754 0.3749400 -3.8117037 -0.1316844 0.0793967 -0.2680167 -0.8399711 64 O -1.8608494 0.1731511 1.0184095 0.4678764 -1.0542218 -0.4252000 1.2395080 -0.2752692 -2.8075512 65 O -1.0368112 -0.2968848 -0.3207948 -0.4030859 -1.3270697 -1.0721646 -0.5517151 -0.5184190 -3.0281610 66 O -1.1462963 -0.7644391 -0.8111948 -0.2265251 -1.7394112 -0.8740087 -0.5659274 -1.1590036 -2.6966413 67 O -1.0368112 0.2968848 -0.3207948 0.4030859 -1.3270697 1.0721646 -0.5517151 0.5184190 -3.0281610 68 O -2.1599332 0.2194898 -0.0036321 0.1252354 -2.0432576 0.0509134 0.0317412 -0.3331670 -0.8535974 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 19, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 23, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 51, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 55, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 63, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 67, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 83, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 111, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:41:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:41:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.637729110459683 0.000000000000000 0.000000000000000 b 0.000000000000000 7.301802310000002 0.000000000000000 c -8.436400095902224 0.000000000000000 13.495299056422072 Atomic positions (fractional): 1 Cs 0.62365156875987 0.24790002929589 0.05965087862741 132.905 2 Cs 0.87106932771056 0.24848038910635 0.43100907681835 132.905 3 Cs 0.12893067228944 0.75151961089365 0.56899092318165 132.905 4 Cs 0.37634843124013 0.74790002929589 0.44034912137259 132.905 5 Cs 0.62365156875987 0.25209997070411 0.55965087862741 132.905 6 Cs 0.87106932771056 0.25151961089365 0.93100907681835 132.905 7 Cs 0.12893067228944 0.74848038910635 0.06899092318165 132.905 8 Cs 0.37634843124013 0.75209997070411 0.94034912137259 132.905 9 I 0.26461346497615 0.28427658396276 0.26586668249357 126.904 10 I 0.76596559780009 0.77145817116874 0.99558432966334 126.904 11 I 0.98556705613958 0.03554599926004 0.73893224739748 126.904 12 I 0.51115922271277 0.99602389072541 0.73802193018860 126.904 13 I 0.01443294386042 0.96445400073996 0.26106775260252 126.904 14 I 0.76596559780009 0.72854182883126 0.49558432966334 126.904 15 I 0.51115922271277 0.50397610927459 0.23802193018860 126.904 16 I 0.98556705613958 0.46445400073996 0.23893224739748 126.904 17 I 0.73538653502385 0.71572341603724 0.73413331750642 126.904 18 I 0.01443294386042 0.53554599926004 0.76106775260252 126.904 19 I 0.73538653502385 0.78427658396276 0.23413331750642 126.904 20 I 0.48884077728724 0.49602389072541 0.76197806981140 126.904 21 I 0.26461346497615 0.21572341603724 0.76586668249358 126.904 22 I 0.48884077728724 0.00397610927458 0.26197806981140 126.904 23 I 0.23403440219991 0.27145817116874 0.50441567033666 126.904 24 I 0.23403440219991 0.22854182883126 0.00441567033666 126.904 25 O 0.88270697877378 0.02805566263125 0.60450711336462 15.999 26 O 0.60793144772189 0.11511124333178 0.24863894901445 15.999 27 O 0.33799781626233 0.17821685324625 0.89847412535267 15.999 28 O 0.91856038902549 0.75290468957803 0.76123831034462 15.999 29 O 0.08143961097451 0.25290468957803 0.73876168965538 15.999 30 O 0.66200218373767 0.82178314675375 0.10152587464733 15.999 31 O 0.55916259098302 0.74181595502690 0.71864779997379 15.999 32 O 0.73616922099294 0.96478993282527 0.73807734314085 15.999 33 O 0.39206855227811 0.61511124333178 0.25136105098555 15.999 34 O 0.89979367656911 0.91774293847942 0.08029412446445 15.999 35 O 0.11729302122622 0.52805566263125 0.89549288663538 15.999 36 O 0.44083740901698 0.25818404497310 0.28135220002621 15.999 37 O 0.11176154321498 0.88935408992847 0.75424258905651 15.999 38 O 0.73616922099294 0.53521006717473 0.23807734314084 15.999 39 O 0.91856038902549 0.74709531042197 0.26123831034462 15.999 40 O 0.10020632343089 0.08225706152058 0.91970587553556 15.999 41 O 0.08143961097451 0.24709531042197 0.23876168965538 15.999 42 O 0.17273628072974 0.20202879004700 0.58174085369162 15.999 43 O 0.66235754778576 0.95970954317384 0.91993916279688 15.999 44 O 0.82726371927026 0.79797120995299 0.41825914630838 15.999 45 O 0.88823845678502 0.38935408992847 0.74575741094349 15.999 46 O 0.33764245221424 0.45970954317384 0.58006083720312 15.999 47 O 0.10020632343089 0.41774293847942 0.41970587553555 15.999 48 O 0.88823845678502 0.11064591007152 0.24575741094348 15.999 49 O 0.44083740901698 0.24181595502690 0.78135220002621 15.999 50 O 0.82726371927026 0.70202879004701 0.91825914630838 15.999 51 O 0.11729302122622 0.97194433736875 0.39549288663539 15.999 52 O 0.33764245221424 0.04029045682616 0.08006083720312 15.999 53 O 0.26383077900706 0.46478993282526 0.76192265685915 15.999 54 O 0.66200218373767 0.67821685324625 0.60152587464733 15.999 55 O 0.11176154321498 0.61064591007153 0.25424258905651 15.999 56 O 0.42097233799598 0.45651152134953 0.10521430262952 15.999 57 O 0.39206855227811 0.88488875666822 0.75136105098555 15.999 58 O 0.89979367656911 0.58225706152058 0.58029412446444 15.999 59 O 0.57902766200402 0.95651152134953 0.39478569737047 15.999 60 O 0.88270697877378 0.47194433736875 0.10450711336462 15.999 61 O 0.60793144772189 0.38488875666822 0.74863894901445 15.999 62 O 0.33799781626233 0.32178314675375 0.39847412535267 15.999 63 O 0.55916259098302 0.75818404497310 0.21864779997379 15.999 64 O 0.17273628072974 0.29797120995299 0.08174085369162 15.999 65 O 0.57902766200402 0.54348847865047 0.89478569737047 15.999 66 O 0.66235754778576 0.54029045682616 0.41993916279687 15.999 67 O 0.42097233799598 0.04348847865046 0.60521430262953 15.999 68 O 0.26383077900706 0.03521006717474 0.26192265685916 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.637729110459683 0.000000000000000 0.000000000000000 b 0.000000000000000 14.603604620000004 0.000000000000000 c -8.436400095902224 0.000000000000000 13.495299056422072 Atomic positions (fractional): 1 Cs 0.62365156875987 0.12395001464794 0.05965087862741 132.905 > 1 2 Cs 0.62365156875987 0.62395001464794 0.05965087862741 132.905 > 1 3 Cs 0.87106932771056 0.12424019455318 0.43100907681835 132.905 > 3 4 Cs 0.87106932771056 0.62424019455318 0.43100907681835 132.905 > 3 5 Cs 0.12893067228944 0.37575980544682 0.56899092318165 132.905 > 5 6 Cs 0.12893067228944 0.87575980544682 0.56899092318165 132.905 > 5 7 Cs 0.37634843124013 0.37395001464794 0.44034912137259 132.905 > 7 8 Cs 0.37634843124013 0.87395001464794 0.44034912137259 132.905 > 7 9 Cs 0.62365156875987 0.12604998535206 0.55965087862741 132.905 > 9 10 Cs 0.62365156875987 0.62604998535206 0.55965087862741 132.905 > 9 11 Cs 0.87106932771056 0.12575980544682 0.93100907681835 132.905 > 11 12 Cs 0.87106932771056 0.62575980544682 0.93100907681835 132.905 > 11 13 Cs 0.12893067228944 0.37424019455318 0.06899092318165 132.905 > 13 14 Cs 0.12893067228944 0.87424019455318 0.06899092318165 132.905 > 13 15 Cs 0.37634843124013 0.37604998535206 0.94034912137259 132.905 > 15 16 Cs 0.37634843124013 0.87604998535206 0.94034912137259 132.905 > 15 17 I 0.26461346497615 0.14213829198138 0.26586668249357 126.904 > 17 18 I 0.26461346497615 0.64213829198138 0.26586668249357 126.904 > 17 19 I 0.76596559780009 0.38572908558437 0.99558432966334 126.904 > 19 20 I 0.76596559780009 0.88572908558437 0.99558432966334 126.904 > 19 21 I 0.98556705613958 0.01777299963002 0.73893224739748 126.904 > 21 22 I 0.98556705613958 0.51777299963002 0.73893224739748 126.904 > 21 23 I 0.51115922271277 0.49801194536271 0.73802193018860 126.904 > 23 24 I 0.51115922271277 0.99801194536271 0.73802193018860 126.904 > 23 25 I 0.01443294386042 0.48222700036998 0.26106775260252 126.904 > 25 26 I 0.01443294386042 0.98222700036998 0.26106775260252 126.904 > 25 27 I 0.76596559780009 0.36427091441563 0.49558432966334 126.904 > 27 28 I 0.76596559780009 0.86427091441563 0.49558432966334 126.904 > 27 29 I 0.51115922271277 0.25198805463729 0.23802193018860 126.904 > 29 30 I 0.51115922271277 0.75198805463729 0.23802193018860 126.904 > 29 31 I 0.98556705613958 0.23222700036998 0.23893224739748 126.904 > 31 32 I 0.98556705613958 0.73222700036998 0.23893224739748 126.904 > 31 33 I 0.73538653502385 0.35786170801862 0.73413331750642 126.904 > 33 34 I 0.73538653502385 0.85786170801862 0.73413331750642 126.904 > 33 35 I 0.01443294386042 0.26777299963002 0.76106775260252 126.904 > 35 36 I 0.01443294386042 0.76777299963002 0.76106775260252 126.904 > 35 37 I 0.73538653502385 0.39213829198138 0.23413331750642 126.904 > 37 38 I 0.73538653502385 0.89213829198138 0.23413331750642 126.904 > 37 39 I 0.48884077728724 0.24801194536271 0.76197806981140 126.904 > 39 40 I 0.48884077728724 0.74801194536271 0.76197806981140 126.904 > 39 41 I 0.26461346497615 0.10786170801862 0.76586668249358 126.904 > 41 42 I 0.26461346497615 0.60786170801862 0.76586668249358 126.904 > 41 43 I 0.48884077728724 0.00198805463729 0.26197806981140 126.904 > 43 44 I 0.48884077728724 0.50198805463729 0.26197806981140 126.904 > 43 45 I 0.23403440219991 0.13572908558437 0.50441567033666 126.904 > 45 46 I 0.23403440219991 0.63572908558437 0.50441567033666 126.904 > 45 47 I 0.23403440219991 0.11427091441563 0.00441567033666 126.904 > 47 48 I 0.23403440219991 0.61427091441563 0.00441567033666 126.904 > 47 49 O 0.88270697877378 0.01402783131563 0.60450711336462 15.999 > 49 50 O 0.88270697877378 0.51402783131563 0.60450711336462 15.999 > 49 51 O 0.60793144772189 0.05755562166589 0.24863894901445 15.999 > 51 52 O 0.60793144772189 0.55755562166589 0.24863894901445 15.999 > 51 53 O 0.33799781626233 0.08910842662312 0.89847412535267 15.999 > 53 54 O 0.33799781626233 0.58910842662312 0.89847412535267 15.999 > 53 55 O 0.91856038902549 0.37645234478902 0.76123831034462 15.999 > 55 56 O 0.91856038902549 0.87645234478902 0.76123831034462 15.999 > 55 57 O 0.08143961097451 0.12645234478901 0.73876168965538 15.999 > 57 58 O 0.08143961097451 0.62645234478902 0.73876168965538 15.999 > 57 59 O 0.66200218373767 0.41089157337688 0.10152587464733 15.999 > 59 60 O 0.66200218373767 0.91089157337688 0.10152587464733 15.999 > 59 61 O 0.55916259098302 0.37090797751345 0.71864779997379 15.999 > 61 62 O 0.55916259098302 0.87090797751345 0.71864779997379 15.999 > 61 63 O 0.73616922099294 0.48239496641263 0.73807734314085 15.999 > 63 64 O 0.73616922099294 0.98239496641263 0.73807734314085 15.999 > 63 65 O 0.39206855227811 0.30755562166589 0.25136105098555 15.999 > 65 66 O 0.39206855227811 0.80755562166589 0.25136105098555 15.999 > 65 67 O 0.89979367656911 0.45887146923971 0.08029412446445 15.999 > 67 68 O 0.89979367656911 0.95887146923971 0.08029412446445 15.999 > 67 69 O 0.11729302122622 0.26402783131563 0.89549288663538 15.999 > 69 70 O 0.11729302122622 0.76402783131563 0.89549288663538 15.999 > 69 71 O 0.44083740901698 0.12909202248655 0.28135220002621 15.999 > 71 72 O 0.44083740901698 0.62909202248655 0.28135220002621 15.999 > 71 73 O 0.11176154321498 0.44467704496424 0.75424258905651 15.999 > 73 74 O 0.11176154321498 0.94467704496424 0.75424258905651 15.999 > 73 75 O 0.73616922099294 0.26760503358737 0.23807734314084 15.999 > 75 76 O 0.73616922099294 0.76760503358737 0.23807734314084 15.999 > 75 77 O 0.91856038902549 0.37354765521098 0.26123831034462 15.999 > 77 78 O 0.91856038902549 0.87354765521098 0.26123831034462 15.999 > 77 79 O 0.10020632343089 0.04112853076029 0.91970587553556 15.999 > 79 80 O 0.10020632343089 0.54112853076029 0.91970587553556 15.999 > 79 81 O 0.08143961097451 0.12354765521098 0.23876168965538 15.999 > 81 82 O 0.08143961097451 0.62354765521098 0.23876168965538 15.999 > 81 83 O 0.17273628072974 0.10101439502350 0.58174085369162 15.999 > 83 84 O 0.17273628072974 0.60101439502350 0.58174085369162 15.999 > 83 85 O 0.66235754778576 0.47985477158692 0.91993916279688 15.999 > 85 86 O 0.66235754778576 0.97985477158692 0.91993916279688 15.999 > 85 87 O 0.82726371927026 0.39898560497650 0.41825914630838 15.999 > 87 88 O 0.82726371927026 0.89898560497650 0.41825914630838 15.999 > 87 89 O 0.88823845678502 0.19467704496424 0.74575741094349 15.999 > 89 90 O 0.88823845678502 0.69467704496424 0.74575741094349 15.999 > 89 91 O 0.33764245221424 0.22985477158692 0.58006083720312 15.999 > 91 92 O 0.33764245221424 0.72985477158692 0.58006083720312 15.999 > 91 93 O 0.10020632343089 0.20887146923971 0.41970587553555 15.999 > 93 94 O 0.10020632343089 0.70887146923971 0.41970587553555 15.999 > 93 95 O 0.88823845678502 0.05532295503576 0.24575741094348 15.999 > 95 96 O 0.88823845678502 0.55532295503576 0.24575741094348 15.999 > 95 97 O 0.44083740901698 0.12090797751345 0.78135220002621 15.999 > 97 98 O 0.44083740901698 0.62090797751345 0.78135220002621 15.999 > 97 99 O 0.82726371927026 0.35101439502350 0.91825914630838 15.999 > 99 100 O 0.82726371927026 0.85101439502350 0.91825914630838 15.999 > 99 101 O 0.11729302122622 0.48597216868437 0.39549288663539 15.999 > 101 102 O 0.11729302122622 0.98597216868437 0.39549288663539 15.999 > 101 103 O 0.33764245221424 0.02014522841308 0.08006083720312 15.999 > 103 104 O 0.33764245221424 0.52014522841308 0.08006083720312 15.999 > 103 105 O 0.26383077900706 0.23239496641263 0.76192265685915 15.999 > 105 106 O 0.26383077900706 0.73239496641263 0.76192265685915 15.999 > 105 107 O 0.66200218373767 0.33910842662312 0.60152587464733 15.999 > 107 108 O 0.66200218373767 0.83910842662312 0.60152587464733 15.999 > 107 109 O 0.11176154321498 0.30532295503576 0.25424258905651 15.999 > 109 110 O 0.11176154321498 0.80532295503576 0.25424258905651 15.999 > 109 111 O 0.42097233799598 0.22825576067477 0.10521430262952 15.999 > 111 112 O 0.42097233799598 0.72825576067477 0.10521430262952 15.999 > 111 113 O 0.39206855227811 0.44244437833411 0.75136105098555 15.999 > 113 114 O 0.39206855227811 0.94244437833411 0.75136105098555 15.999 > 113 115 O 0.89979367656911 0.29112853076029 0.58029412446444 15.999 > 115 116 O 0.89979367656911 0.79112853076029 0.58029412446444 15.999 > 115 117 O 0.57902766200402 0.47825576067477 0.39478569737047 15.999 > 117 118 O 0.57902766200402 0.97825576067477 0.39478569737047 15.999 > 117 119 O 0.88270697877378 0.23597216868437 0.10450711336462 15.999 > 119 120 O 0.88270697877378 0.73597216868437 0.10450711336462 15.999 > 119 121 O 0.60793144772189 0.19244437833411 0.74863894901445 15.999 > 121 122 O 0.60793144772189 0.69244437833411 0.74863894901445 15.999 > 121 123 O 0.33799781626233 0.16089157337688 0.39847412535267 15.999 > 123 124 O 0.33799781626233 0.66089157337688 0.39847412535267 15.999 > 123 125 O 0.55916259098302 0.37909202248655 0.21864779997379 15.999 > 125 126 O 0.55916259098302 0.87909202248655 0.21864779997379 15.999 > 125 127 O 0.17273628072974 0.14898560497650 0.08174085369162 15.999 > 127 128 O 0.17273628072974 0.64898560497650 0.08174085369162 15.999 > 127 129 O 0.57902766200402 0.27174423932523 0.89478569737047 15.999 > 129 130 O 0.57902766200402 0.77174423932523 0.89478569737047 15.999 > 129 131 O 0.66235754778576 0.27014522841308 0.41993916279687 15.999 > 131 132 O 0.66235754778576 0.77014522841308 0.41993916279687 15.999 > 131 133 O 0.42097233799598 0.02174423932523 0.60521430262953 15.999 > 133 134 O 0.42097233799598 0.52174423932523 0.60521430262953 15.999 > 133 135 O 0.26383077900706 0.01760503358737 0.26192265685916 15.999 > 135 136 O 0.26383077900706 0.51760503358737 0.26192265685916 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2249629 0.0000000 0.0247753 0.0000000 4.1614503 0.0000000 0.0247779 0.0000000 4.3602593 -------------------------- Born effective charges -------------------------- 1 Cs 1.3982980 -0.0085697 -0.0390492 -0.1215278 1.4428434 0.0043690 0.0638800 -0.0466851 1.5233254 2 Cs 1.4394399 0.0267681 0.0489304 -0.0719496 1.4134147 0.0604433 -0.0372392 -0.0245262 1.3198104 3 Cs 1.4394399 0.0267681 0.0489304 -0.0719496 1.4134147 0.0604433 -0.0372392 -0.0245262 1.3198104 4 Cs 1.3982980 0.0085697 -0.0390492 0.1215278 1.4428434 -0.0043690 0.0638800 0.0466851 1.5233254 5 Cs 1.3982980 0.0085697 -0.0390492 0.1215278 1.4428434 -0.0043690 0.0638800 0.0466851 1.5233254 6 Cs 1.4394399 -0.0267681 0.0489304 0.0719496 1.4134147 -0.0604433 -0.0372392 0.0245262 1.3198104 7 Cs 1.4394399 -0.0267681 0.0489304 0.0719496 1.4134147 -0.0604433 -0.0372392 0.0245262 1.3198104 8 Cs 1.3982980 -0.0085697 -0.0390492 -0.1215278 1.4428434 0.0043690 0.0638800 -0.0466851 1.5233254 9 I 7.7411887 -0.3183733 -0.5713369 -0.3474962 2.4946334 0.4531634 -0.2760285 0.4532644 4.5392351 10 I 3.8508397 -0.5254220 0.1484575 0.0675761 3.7952818 0.1905661 0.4896503 0.4021917 5.1941565 11 I 3.6170855 2.0778687 0.7237545 1.6721764 6.1133515 0.7471898 0.1815942 0.5024168 5.0119597 12 I 3.9450284 -2.1790683 0.1221433 -2.2310801 6.0831605 -0.4547908 0.1434141 -0.3427480 4.6482072 13 I 3.6170855 2.0778687 0.7237545 1.6721764 6.1133515 0.7471898 0.1815942 0.5024168 5.0119597 14 I 3.8508397 0.5254220 0.1484575 -0.0675761 3.7952818 -0.1905661 0.4896503 -0.4021917 5.1941565 15 I 3.9450284 2.1790683 0.1221433 2.2310801 6.0831605 0.4547908 0.1434141 0.3427480 4.6482072 16 I 3.6170855 -2.0778687 0.7237545 -1.6721764 6.1133515 -0.7471898 0.1815942 -0.5024168 5.0119597 17 I 7.7411887 -0.3183733 -0.5713369 -0.3474962 2.4946334 0.4531634 -0.2760285 0.4532644 4.5392351 18 I 3.6170855 -2.0778687 0.7237545 -1.6721764 6.1133515 -0.7471898 0.1815942 -0.5024168 5.0119597 19 I 7.7411887 0.3183733 -0.5713369 0.3474962 2.4946334 -0.4531634 -0.2760285 -0.4532644 4.5392351 20 I 3.9450284 2.1790683 0.1221433 2.2310801 6.0831605 0.4547908 0.1434141 0.3427480 4.6482072 21 I 7.7411887 0.3183733 -0.5713369 0.3474962 2.4946334 -0.4531634 -0.2760285 -0.4532644 4.5392351 22 I 3.9450284 -2.1790683 0.1221433 -2.2310801 6.0831605 -0.4547908 0.1434141 -0.3427480 4.6482072 23 I 3.8508397 0.5254220 0.1484575 -0.0675761 3.7952818 -0.1905661 0.4896503 -0.4021917 5.1941565 24 I 3.8508397 -0.5254220 0.1484575 0.0675761 3.7952818 0.1905661 0.4896503 0.4021917 5.1941565 25 O -0.9158423 -0.2736532 -0.7652670 -0.1272518 -1.2767359 -0.5993881 0.0249123 -0.5341450 -3.0656190 26 O -2.1981734 -0.0337305 0.0272260 0.1499196 -1.9902441 -0.0398333 0.2035240 0.1086880 -0.8938705 27 O -1.5215620 -0.0134220 0.9447136 -0.0366768 -0.8526608 0.4894282 0.6631855 0.0163534 -3.0542262 28 O -4.0769529 -0.3692227 -0.2015253 0.8617807 -3.4578706 0.1995983 -0.3354199 0.2014475 -0.7919940 29 O -4.0769529 0.3692227 -0.2015253 -0.8617807 -3.4578706 -0.1995983 -0.3354199 -0.2014475 -0.7919940 30 O -1.5215620 -0.0134220 0.9447136 -0.0366768 -0.8526608 0.4894282 0.6631855 0.0163534 -3.0542262 31 O -3.8500785 0.9061524 0.1146754 -0.3749400 -3.8117037 0.1316844 0.0793967 0.2680167 -0.8399711 32 O -2.1599332 0.2194898 -0.0036321 0.1252354 -2.0432576 0.0509134 0.0317412 -0.3331670 -0.8535974 33 O -2.1981734 0.0337305 0.0272260 -0.1499196 -1.9902441 0.0398333 0.2035240 -0.1086880 -0.8938705 34 O -1.2524330 -0.3646457 -0.3800133 -0.4735183 -1.4058776 -0.6390955 -1.1586257 -1.3584420 -3.2769596 35 O -0.9158423 0.2736532 -0.7652670 0.1272518 -1.2767359 0.5993881 0.0249123 0.5341450 -3.0656190 36 O -3.8500785 0.9061524 0.1146754 -0.3749400 -3.8117037 0.1316844 0.0793967 0.2680167 -0.8399711 37 O -1.9729484 -0.1763762 -0.0554968 0.1460974 -2.3836323 0.0006101 -0.1958505 0.0602361 -0.9281032 38 O -2.1599332 -0.2194898 -0.0036321 -0.1252354 -2.0432576 -0.0509134 0.0317412 0.3331670 -0.8535974 39 O -4.0769529 0.3692227 -0.2015253 -0.8617807 -3.4578706 -0.1995983 -0.3354199 -0.2014475 -0.7919940 40 O -1.2524330 -0.3646457 -0.3800133 -0.4735183 -1.4058776 -0.6390955 -1.1586257 -1.3584420 -3.2769596 41 O -4.0769529 -0.3692227 -0.2015253 0.8617807 -3.4578706 0.1995983 -0.3354199 0.2014475 -0.7919940 42 O -1.8608494 -0.1731511 1.0184095 -0.4678764 -1.0542218 0.4252000 1.2395080 0.2752692 -2.8075512 43 O -1.1462963 0.7644391 -0.8111948 0.2265251 -1.7394112 0.8740087 -0.5659274 1.1590036 -2.6966413 44 O -1.8608494 -0.1731511 1.0184095 -0.4678764 -1.0542218 0.4252000 1.2395080 0.2752692 -2.8075512 45 O -1.9729484 0.1763762 -0.0554968 -0.1460974 -2.3836323 -0.0006101 -0.1958505 -0.0602361 -0.9281032 46 O -1.1462963 -0.7644391 -0.8111948 -0.2265251 -1.7394112 -0.8740087 -0.5659274 -1.1590036 -2.6966413 47 O -1.2524330 0.3646457 -0.3800133 0.4735183 -1.4058776 0.6390955 -1.1586257 1.3584420 -3.2769596 48 O -1.9729484 -0.1763762 -0.0554968 0.1460974 -2.3836323 0.0006101 -0.1958505 0.0602361 -0.9281032 49 O -3.8500785 -0.9061524 0.1146754 0.3749400 -3.8117037 -0.1316844 0.0793967 -0.2680167 -0.8399711 50 O -1.8608494 0.1731511 1.0184095 0.4678764 -1.0542218 -0.4252000 1.2395080 -0.2752692 -2.8075512 51 O -0.9158423 -0.2736532 -0.7652670 -0.1272518 -1.2767359 -0.5993881 0.0249123 -0.5341450 -3.0656190 52 O -1.1462963 0.7644391 -0.8111948 0.2265251 -1.7394112 0.8740087 -0.5659274 1.1590036 -2.6966413 53 O -2.1599332 -0.2194898 -0.0036321 -0.1252354 -2.0432576 -0.0509134 0.0317412 0.3331670 -0.8535974 54 O -1.5215620 0.0134220 0.9447136 0.0366768 -0.8526608 -0.4894282 0.6631855 -0.0163534 -3.0542262 55 O -1.9729484 0.1763762 -0.0554968 -0.1460974 -2.3836323 -0.0006101 -0.1958505 -0.0602361 -0.9281032 56 O -1.0368112 -0.2968848 -0.3207948 -0.4030859 -1.3270697 -1.0721646 -0.5517151 -0.5184190 -3.0281610 57 O -2.1981734 -0.0337305 0.0272260 0.1499196 -1.9902441 -0.0398333 0.2035240 0.1086880 -0.8938705 58 O -1.2524330 0.3646457 -0.3800133 0.4735183 -1.4058776 0.6390955 -1.1586257 1.3584420 -3.2769596 59 O -1.0368112 0.2968848 -0.3207948 0.4030859 -1.3270697 1.0721646 -0.5517151 0.5184190 -3.0281610 60 O -0.9158423 0.2736532 -0.7652670 0.1272518 -1.2767359 0.5993881 0.0249123 0.5341450 -3.0656190 61 O -2.1981734 0.0337305 0.0272260 -0.1499196 -1.9902441 0.0398333 0.2035240 -0.1086880 -0.8938705 62 O -1.5215620 0.0134220 0.9447136 0.0366768 -0.8526608 -0.4894282 0.6631855 -0.0163534 -3.0542262 63 O -3.8500785 -0.9061524 0.1146754 0.3749400 -3.8117037 -0.1316844 0.0793967 -0.2680167 -0.8399711 64 O -1.8608494 0.1731511 1.0184095 0.4678764 -1.0542218 -0.4252000 1.2395080 -0.2752692 -2.8075512 65 O -1.0368112 -0.2968848 -0.3207948 -0.4030859 -1.3270697 -1.0721646 -0.5517151 -0.5184190 -3.0281610 66 O -1.1462963 -0.7644391 -0.8111948 -0.2265251 -1.7394112 -0.8740087 -0.5659274 -1.1590036 -2.6966413 67 O -1.0368112 0.2968848 -0.3207948 0.4030859 -1.3270697 1.0721646 -0.5517151 0.5184190 -3.0281610 68 O -2.1599332 0.2194898 -0.0036321 0.1252354 -2.0432576 0.0509134 0.0317412 -0.3331670 -0.8535974 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.39, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/44) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.118 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.302 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.334 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 8.941 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.723 ( 0.000 0.000 0.000) 0.000 10.740 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 11.163 ( 0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 14.688 ( 0.000 0.000 0.000) 0.000 15.774 ( 0.000 0.000 0.000) 0.000 15.802 ( 0.000 0.000 0.000) 0.000 15.894 ( 0.000 0.000 0.000) 0.000 15.921 ( 0.000 0.000 0.000) 0.000 16.643 ( 0.000 0.000 0.000) 0.000 16.672 ( 0.000 0.000 0.000) 0.000 19.437 ( 0.000 0.000 0.000) 0.000 19.461 ( 0.000 0.000 0.000) 0.000 19.635 ( 0.000 0.000 0.000) 0.000 19.899 ( 0.000 0.000 0.000) 0.000 20.030 ( 0.000 0.000 0.000) 0.000 20.448 ( 0.000 0.000 0.000) 0.000 20.508 ( 0.000 0.000 0.000) 0.000 20.611 ( 0.000 0.000 0.000) 0.000 20.619 ( 0.000 0.000 0.000) 0.000 21.276 ( 0.000 0.000 0.000) 0.000 21.461 ( 0.000 0.000 0.000) 0.000 21.473 ( 0.000 0.000 0.000) 0.000 21.551 ( 0.000 0.000 0.000) 0.000 21.664 ( 0.000 0.000 0.000) 0.000 21.871 ( 0.000 0.000 0.000) 0.000 21.877 ( 0.000 0.000 0.000) 0.000 21.943 ( 0.000 0.000 0.000) 0.000 22.072 ( 0.000 0.000 0.000) 0.000 22.173 ( 0.000 0.000 0.000) 0.000 22.241 ( 0.000 0.000 0.000) 0.000 22.267 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 22.625 ( 0.000 0.000 0.000) 0.000 22.638 ( 0.000 0.000 0.000) 0.000 22.679 ( 0.000 0.000 0.000) 0.000 22.697 ( 0.000 0.000 0.000) 0.000 22.762 ( 0.000 0.000 0.000) 0.000 22.809 ( 0.000 0.000 0.000) 0.000 22.859 ( 0.000 0.000 0.000) 0.000 22.958 ( 0.000 0.000 0.000) 0.000 22.997 ( 0.000 0.000 0.000) 0.000 23.064 ( 0.000 0.000 0.000) 0.000 23.202 ( 0.000 0.000 0.000) 0.000 23.319 ( 0.000 0.000 0.000) 0.000 23.332 ( 0.000 0.000 0.000) 0.000 23.617 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/44) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( 16.485 0.000 -1.115) 16.522 0.226 ( 10.258 0.000 11.218) 15.201 0.505 ( 22.312 0.000 13.357) 26.004 0.899 ( -4.233 0.000 -1.031) 4.357 1.026 ( -3.226 0.000 -5.878) 6.705 1.078 ( -7.977 0.000 -5.100) 9.468 1.096 ( -2.364 0.000 -7.356) 7.726 1.133 ( -7.262 0.000 -0.119) 7.263 1.154 ( -4.761 0.000 -3.215) 5.745 1.196 ( -5.030 0.000 6.318) 8.076 1.266 ( 1.409 0.000 4.069) 4.306 1.322 ( 2.175 0.000 2.660) 3.436 1.337 ( 0.924 0.000 0.807) 1.227 1.349 ( 3.130 0.000 -0.106) 3.132 1.368 ( 0.093 0.000 -0.725) 0.731 1.387 ( 2.605 0.000 1.556) 3.034 1.425 ( 3.728 0.000 -0.558) 3.769 1.439 ( -1.962 0.000 -1.778) 2.648 1.466 ( 3.557 0.000 0.902) 3.670 1.502 ( 1.167 0.000 -1.020) 1.550 1.509 ( 0.894 0.000 1.046) 1.376 1.552 ( -2.354 0.000 -0.811) 2.490 1.562 ( 0.012 0.000 -0.125) 0.126 1.588 ( 0.382 0.000 1.268) 1.324 1.602 ( -0.685 0.000 -0.765) 1.027 1.618 ( 0.631 0.000 -0.977) 1.163 1.648 ( -1.209 0.000 -0.657) 1.375 1.652 ( 2.964 0.000 0.381) 2.988 1.682 ( 0.222 0.000 2.046) 2.058 1.692 ( -0.916 0.000 -1.171) 1.487 1.722 ( -0.381 0.000 -1.145) 1.207 1.732 ( 2.821 0.000 3.336) 4.369 1.786 ( -0.497 0.000 4.242) 4.271 1.906 ( -3.552 0.000 -8.810) 9.499 1.992 ( 1.050 0.000 -9.971) 10.026 2.015 ( -4.418 0.000 -10.708) 11.584 2.091 ( 0.132 0.000 -1.563) 1.569 2.098 ( -3.104 0.000 -2.669) 4.094 2.116 ( 1.373 0.000 -0.088) 1.376 2.196 ( -2.162 0.000 0.407) 2.200 2.202 ( 0.460 0.000 -2.505) 2.547 2.234 ( -0.269 0.000 -1.717) 1.738 2.276 ( 0.305 0.000 -1.246) 1.283 2.336 ( 2.979 0.000 2.216) 3.713 2.413 ( 12.042 0.000 1.972) 12.202 2.417 ( -4.143 0.000 -5.882) 7.195 2.470 ( 2.782 0.000 0.583) 2.842 2.540 ( 6.537 0.000 0.565) 6.561 2.556 ( 4.994 0.000 0.692) 5.042 2.631 ( -2.253 0.000 2.052) 3.048 2.771 ( -2.539 0.000 1.254) 2.831 2.773 ( -0.993 0.000 -0.437) 1.084 2.808 ( -4.086 0.000 -0.132) 4.088 2.830 ( 6.203 0.000 1.062) 6.293 2.871 ( 0.945 0.000 -2.396) 2.576 2.963 ( 3.652 0.000 -8.895) 9.615 3.094 ( -1.057 0.000 3.703) 3.851 3.184 ( 2.225 0.000 2.439) 3.301 3.258 ( 10.878 0.000 0.929) 10.918 3.287 ( 2.866 0.000 0.548) 2.918 3.411 ( 1.616 0.000 4.394) 4.681 3.596 ( -0.132 0.000 -3.188) 3.191 3.644 ( -1.821 0.000 -5.684) 5.969 3.662 ( 0.434 0.000 -0.892) 0.992 3.672 ( 0.157 0.000 -2.012) 2.018 3.748 ( -1.097 0.000 -0.471) 1.194 3.790 ( -0.806 0.000 -3.315) 3.412 3.902 ( 2.509 0.000 6.650) 7.107 3.929 ( 6.637 0.000 -8.542) 10.817 3.950 ( -4.812 0.000 5.715) 7.471 3.962 ( -5.025 0.000 2.367) 5.554 4.013 ( 0.789 0.000 1.643) 1.823 4.084 ( 2.660 0.000 0.807) 2.780 4.088 ( 0.471 0.000 -0.165) 0.499 4.226 ( 1.188 0.000 7.576) 7.669 4.248 ( -0.115 0.000 3.565) 3.567 4.308 ( -0.692 0.000 -3.394) 3.464 4.319 ( 1.328 0.000 0.577) 1.448 4.468 ( 1.564 0.000 -4.330) 4.604 4.513 ( 2.738 0.000 0.239) 2.749 4.530 ( 0.386 0.000 -3.139) 3.163 4.544 ( 3.390 0.000 -6.571) 7.394 4.729 ( 5.001 0.000 -5.597) 7.505 4.765 ( 6.701 0.000 3.044) 7.360 4.890 ( -3.651 0.000 7.196) 8.069 4.939 ( -8.281 0.000 8.662) 11.984 5.043 ( 0.982 0.000 -3.374) 3.515 5.151 ( -2.981 0.000 2.445) 3.856 5.186 ( 0.191 0.000 0.724) 0.749 5.206 ( 2.392 0.000 -5.240) 5.760 5.266 ( -4.188 0.000 -8.893) 9.830 5.324 ( 3.108 0.000 2.770) 4.163 5.372 ( 2.544 0.000 -3.096) 4.007 5.391 ( 3.514 0.000 -1.118) 3.688 5.425 ( 1.092 0.000 -2.197) 2.453 5.550 ( -2.368 0.000 -1.268) 2.686 5.602 ( -11.526 0.000 9.107) 14.689 5.662 ( -6.081 0.000 -2.212) 6.470 5.704 ( 3.163 0.000 1.235) 3.396 5.858 ( 6.525 0.000 -1.138) 6.623 5.897 ( -1.242 0.000 -0.428) 1.314 6.005 ( -0.493 0.000 2.651) 2.696 6.086 ( 3.837 0.000 -6.097) 7.204 6.203 ( -0.614 0.000 -1.400) 1.528 6.320 ( -5.117 0.000 -1.464) 5.322 6.364 ( 1.391 0.000 4.337) 4.555 6.433 ( -2.131 0.000 -0.269) 2.148 6.434 ( 3.176 0.000 2.895) 4.298 6.788 ( 12.382 0.000 0.499) 12.392 7.022 ( -1.181 0.000 -4.709) 4.855 7.152 ( 8.953 0.000 2.548) 9.309 7.255 ( -1.891 0.000 -2.893) 3.456 7.260 ( 2.753 0.000 0.676) 2.835 7.490 ( 8.051 0.000 -6.812) 10.546 7.644 ( 1.155 0.000 0.292) 1.191 7.748 ( -1.416 0.000 -1.798) 2.289 7.991 ( -1.140 0.000 -0.033) 1.140 8.338 ( 1.113 0.000 -1.529) 1.891 8.496 ( -5.226 0.000 -5.434) 7.539 8.553 ( 25.928 0.000 -40.780) 48.325 8.883 ( -0.447 0.000 0.056) 0.451 8.887 ( 2.343 0.000 -1.568) 2.819 8.975 ( 0.864 0.000 -1.646) 1.859 8.980 ( 1.626 0.000 -0.179) 1.636 9.035 ( -9.153 0.000 16.085) 18.507 9.074 ( -1.099 0.000 4.042) 4.189 9.194 ( -1.356 0.000 0.670) 1.512 9.330 ( -1.114 0.000 -4.842) 4.969 9.406 ( -0.881 0.000 -5.022) 5.099 9.470 ( -1.964 0.000 1.856) 2.702 9.563 ( 1.618 0.000 0.345) 1.655 9.627 ( 0.725 0.000 3.011) 3.097 9.637 ( 0.788 0.000 1.680) 1.855 9.678 ( -6.064 0.000 -2.586) 6.593 9.679 ( -4.140 0.000 1.556) 4.423 9.712 ( -2.786 0.000 2.102) 3.490 9.842 ( 0.141 0.000 -0.849) 0.860 9.887 ( 1.456 0.000 1.633) 2.188 9.904 ( -1.105 0.000 -1.524) 1.883 9.959 ( 0.360 0.000 0.117) 0.378 9.975 ( -1.512 0.000 2.694) 3.089 10.106 ( 3.429 0.000 0.548) 3.473 10.111 ( 0.807 0.000 0.153) 0.822 10.187 ( -2.344 0.000 0.737) 2.457 10.273 ( 6.470 0.000 1.010) 6.548 10.274 ( 5.850 0.000 -0.783) 5.902 10.687 ( 1.133 0.000 -0.701) 1.332 10.698 ( -2.608 0.000 2.403) 3.546 10.800 ( 5.065 0.000 0.425) 5.083 10.883 ( -1.680 0.000 -2.342) 2.882 10.976 ( -1.340 0.000 4.616) 4.806 11.129 ( -3.452 0.000 -1.980) 3.980 11.356 ( 17.689 0.000 0.039) 17.689 11.768 ( 4.190 0.000 -0.010) 4.190 11.791 ( 5.347 0.000 0.512) 5.371 12.768 ( 59.421 0.000 -90.628) 108.371 13.490 ( -4.168 0.000 0.173) 4.171 13.508 ( -4.064 0.000 -0.079) 4.065 13.843 ( -33.067 0.000 7.826) 33.980 13.937 ( -41.326 0.000 -18.103) 45.117 15.013 ( 24.573 0.000 -6.647) 25.456 15.049 ( 18.322 0.000 2.363) 18.473 15.706 ( -6.366 0.000 0.665) 6.401 15.713 ( -8.321 0.000 -2.807) 8.782 15.974 ( 7.996 0.000 -1.332) 8.107 16.091 ( 11.770 0.000 -0.915) 11.806 16.610 ( -3.262 0.000 -0.596) 3.316 16.691 ( 0.834 0.000 -0.386) 0.919 19.564 ( 5.332 0.000 16.165) 17.021 19.666 ( 1.290 0.000 3.805) 4.018 19.877 ( -4.179 0.000 4.203) 5.927 20.081 ( 1.746 0.000 7.114) 7.325 20.395 ( -2.883 0.000 -6.177) 6.816 20.451 ( -3.172 0.000 -4.521) 5.523 20.557 ( -1.169 0.000 -9.280) 9.353 20.592 ( -5.037 0.000 4.784) 6.947 20.905 ( -20.597 0.000 45.968) 50.371 21.270 ( -0.193 0.000 -0.995) 1.014 21.380 ( -4.532 0.000 -5.134) 6.848 21.498 ( -2.933 0.000 -2.025) 3.564 21.676 ( -4.716 0.000 15.943) 16.626 21.721 ( 1.282 0.000 6.376) 6.504 21.874 ( -0.265 0.000 -0.245) 0.361 21.882 ( 0.683 0.000 1.319) 1.485 21.951 ( 0.693 0.000 0.199) 0.721 22.062 ( -0.266 0.000 -2.351) 2.366 22.159 ( -0.167 0.000 -2.637) 2.642 22.233 ( -1.122 0.000 -2.576) 2.809 22.341 ( -4.893 0.000 5.654) 7.478 22.350 ( 2.536 0.000 2.213) 3.366 22.560 ( -2.210 0.000 -4.509) 5.021 22.686 ( -1.384 0.000 2.621) 2.964 22.747 ( -0.536 0.000 -1.150) 1.269 22.753 ( 0.505 0.000 5.892) 5.914 22.806 ( 0.200 0.000 -1.217) 1.233 22.850 ( -0.017 0.000 -1.504) 1.504 22.899 ( 1.941 0.000 -1.191) 2.277 22.964 ( 0.280 0.000 0.969) 1.009 23.024 ( 1.297 0.000 1.164) 1.743 23.060 ( 0.028 0.000 -0.956) 0.956 23.322 ( -1.899 0.000 2.234) 2.933 23.322 ( -1.673 0.000 2.460) 2.975 23.431 ( -3.362 0.000 9.811) 10.371 23.577 ( -3.586 0.000 -1.397) 3.848 ======================= Grid point 2 (3/44) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 15.171 0.000 3.271) 15.520 0.511 ( 10.805 0.000 8.817) 13.946 0.776 ( -4.050 0.000 0.584) 4.092 0.874 ( -5.740 0.000 -5.572) 8.000 0.881 ( -8.698 0.000 -7.083) 11.217 0.954 ( -4.823 0.000 -2.107) 5.263 0.993 ( 6.815 0.000 8.197) 10.660 1.036 ( 4.571 0.000 3.486) 5.748 1.080 ( -1.378 0.000 -2.123) 2.531 1.205 ( -0.428 0.000 2.114) 2.157 1.299 ( -3.135 0.000 -0.862) 3.251 1.332 ( -2.645 0.000 -3.668) 4.523 1.358 ( -1.193 0.000 -3.230) 3.443 1.369 ( 1.249 0.000 0.732) 1.447 1.385 ( 2.419 0.000 1.611) 2.906 1.425 ( 3.817 0.000 1.276) 4.025 1.435 ( -0.181 0.000 -2.233) 2.240 1.440 ( 0.492 0.000 2.512) 2.560 1.470 ( -2.014 0.000 0.140) 2.019 1.513 ( 0.242 0.000 0.447) 0.508 1.536 ( 0.720 0.000 0.924) 1.171 1.543 ( 1.592 0.000 -0.290) 1.618 1.567 ( -1.760 0.000 -1.912) 2.598 1.577 ( 0.776 0.000 0.484) 0.914 1.611 ( -2.313 0.000 -0.487) 2.364 1.618 ( 0.490 0.000 -0.076) 0.496 1.634 ( 1.053 0.000 2.311) 2.539 1.637 ( -2.258 0.000 -2.223) 3.169 1.676 ( -0.042 0.000 0.522) 0.524 1.685 ( -0.485 0.000 -0.453) 0.664 1.717 ( 1.592 0.000 0.550) 1.684 1.756 ( -3.361 0.000 -5.033) 6.052 1.805 ( 1.798 0.000 2.928) 3.436 1.846 ( -1.948 0.000 -3.713) 4.193 1.904 ( 4.642 0.000 1.599) 4.910 1.913 ( 1.404 0.000 -8.889) 8.999 2.030 ( -2.387 0.000 -1.100) 2.628 2.075 ( 0.053 0.000 -1.554) 1.555 2.111 ( -3.830 0.000 -1.283) 4.039 2.154 ( -0.419 0.000 -0.727) 0.839 2.203 ( 1.091 0.000 -0.492) 1.197 2.220 ( -0.176 0.000 -0.319) 0.365 2.280 ( 0.590 0.000 0.074) 0.595 2.316 ( -1.298 0.000 -2.673) 2.972 2.384 ( 0.847 0.000 1.347) 1.591 2.495 ( 0.508 0.000 -0.818) 0.963 2.512 ( 2.361 0.000 -0.507) 2.415 2.603 ( 2.112 0.000 1.128) 2.394 2.656 ( 1.149 0.000 4.297) 4.448 2.665 ( 1.101 0.000 0.913) 1.430 2.726 ( -2.095 0.000 -2.903) 3.580 2.731 ( -2.663 0.000 -1.558) 3.085 2.771 ( -0.427 0.000 1.890) 1.938 2.881 ( 0.334 0.000 0.920) 0.979 2.893 ( -0.313 0.000 1.149) 1.191 2.997 ( 3.811 0.000 0.241) 3.819 3.178 ( 8.552 0.000 2.301) 8.856 3.247 ( 1.382 0.000 2.452) 2.814 3.321 ( 1.471 0.000 -0.676) 1.619 3.424 ( 7.608 0.000 -0.190) 7.610 3.471 ( -9.143 0.000 -7.145) 11.604 3.475 ( 0.341 0.000 4.087) 4.101 3.571 ( 0.423 0.000 -0.754) 0.864 3.655 ( -0.798 0.000 -1.717) 1.894 3.718 ( 4.573 0.000 -0.201) 4.578 3.719 ( -0.094 0.000 -0.257) 0.274 3.753 ( -0.662 0.000 -1.031) 1.225 3.831 ( -7.224 0.000 -1.286) 7.337 3.884 ( -4.017 0.000 1.939) 4.461 3.958 ( 1.875 0.000 -2.108) 2.821 4.020 ( 0.191 0.000 -0.870) 0.890 4.042 ( 1.655 0.000 7.459) 7.640 4.097 ( -0.105 0.000 -0.679) 0.687 4.204 ( 4.295 0.000 5.867) 7.271 4.255 ( -1.702 0.000 0.365) 1.740 4.305 ( -0.758 0.000 -1.147) 1.374 4.334 ( 3.252 0.000 0.076) 3.253 4.345 ( 4.667 0.000 2.736) 5.410 4.426 ( -1.193 0.000 -3.585) 3.778 4.488 ( 2.442 0.000 0.439) 2.482 4.564 ( 3.657 0.000 -2.609) 4.492 4.634 ( 3.945 0.000 0.880) 4.042 4.674 ( -2.397 0.000 -6.042) 6.500 4.858 ( 2.426 0.000 -0.308) 2.445 4.864 ( -6.226 0.000 2.346) 6.653 4.956 ( -0.504 0.000 8.501) 8.516 4.998 ( 0.165 0.000 -2.068) 2.074 5.075 ( -4.256 0.000 1.132) 4.404 5.098 ( -4.113 0.000 -6.538) 7.724 5.234 ( 1.838 0.000 -1.650) 2.471 5.277 ( 4.880 0.000 4.688) 6.766 5.370 ( -1.196 0.000 0.014) 1.196 5.391 ( 1.697 0.000 -1.285) 2.128 5.442 ( 2.787 0.000 -0.869) 2.919 5.445 ( 5.552 0.000 -4.189) 6.956 5.466 ( -2.528 0.000 -3.260) 4.126 5.522 ( -7.773 0.000 6.001) 9.820 5.551 ( -4.563 0.000 -1.335) 4.754 5.749 ( 0.706 0.000 1.179) 1.374 5.849 ( -1.860 0.000 -1.055) 2.139 5.921 ( 2.661 0.000 -0.778) 2.772 6.021 ( -0.009 0.000 1.566) 1.566 6.154 ( 5.630 0.000 -1.817) 5.916 6.165 ( -1.874 0.000 -0.448) 1.927 6.252 ( 0.050 0.000 -0.519) 0.522 6.351 ( -6.472 0.000 -0.467) 6.489 6.455 ( 3.930 0.000 2.319) 4.563 6.496 ( 0.200 0.000 2.253) 2.262 6.962 ( -1.502 0.000 -1.692) 2.262 6.965 ( 5.932 0.000 1.172) 6.047 7.193 ( -1.551 0.000 -2.143) 2.645 7.282 ( -0.016 0.000 0.243) 0.243 7.377 ( 10.807 0.000 1.978) 10.987 7.552 ( 3.956 0.000 -1.522) 4.239 7.686 ( 2.620 0.000 0.917) 2.776 7.704 ( -2.192 0.000 -0.097) 2.194 8.002 ( 3.103 0.000 1.361) 3.388 8.301 ( -9.463 0.000 -6.476) 11.467 8.339 ( 0.574 0.000 -0.965) 1.123 8.556 ( 4.959 0.000 -8.028) 9.436 8.876 ( -0.263 0.000 -0.010) 0.263 8.902 ( 0.512 0.000 -0.261) 0.575 8.992 ( 4.648 0.000 -4.401) 6.401 9.027 ( 3.117 0.000 0.279) 3.129 9.038 ( -4.831 0.000 6.873) 8.402 9.089 ( -1.750 0.000 3.003) 3.476 9.194 ( -0.063 0.000 1.385) 1.386 9.274 ( -0.531 0.000 -2.890) 2.938 9.340 ( -1.442 0.000 -3.076) 3.397 9.461 ( -0.338 0.000 1.002) 1.057 9.526 ( -3.903 0.000 -1.398) 4.146 9.581 ( -3.522 0.000 0.291) 3.534 9.617 ( 0.311 0.000 -0.859) 0.914 9.695 ( 2.015 0.000 3.464) 4.007 9.700 ( 1.020 0.000 1.829) 2.095 9.725 ( 0.406 0.000 0.753) 0.856 9.831 ( -0.049 0.000 -1.111) 1.112 9.857 ( -1.739 0.000 -2.252) 2.845 9.908 ( 0.086 0.000 0.602) 0.609 9.965 ( 0.189 0.000 0.103) 0.215 9.979 ( -0.255 0.000 0.745) 0.788 10.124 ( 0.546 0.000 -0.040) 0.548 10.138 ( 0.666 0.000 0.050) 0.668 10.161 ( -1.221 0.000 0.244) 1.245 10.355 ( 3.519 0.000 -0.320) 3.534 10.373 ( 3.588 0.000 0.652) 3.646 10.689 ( -1.090 0.000 1.336) 1.724 10.701 ( 1.188 0.000 -0.627) 1.343 10.839 ( -1.290 0.000 -0.973) 1.616 10.902 ( 6.085 0.000 2.051) 6.421 10.993 ( -0.599 0.000 1.811) 1.907 11.027 ( -5.950 0.000 -2.617) 6.500 11.714 ( 14.374 0.000 1.398) 14.442 11.832 ( 2.754 0.000 -0.009) 2.754 11.989 ( 24.087 0.000 5.395) 24.684 12.832 ( 22.862 0.000 -29.695) 37.476 13.024 ( -44.721 0.000 -17.566) 48.047 13.409 ( -9.637 0.000 3.479) 10.246 13.447 ( -2.679 0.000 -0.099) 2.681 13.481 ( -14.809 0.000 6.003) 15.980 15.269 ( 7.619 0.000 0.190) 7.621 15.272 ( 11.338 0.000 -1.262) 11.408 15.579 ( -5.763 0.000 -0.839) 5.824 15.620 ( -3.932 0.000 0.046) 3.932 16.071 ( 4.192 0.000 -0.452) 4.216 16.225 ( 5.075 0.000 -0.383) 5.089 16.554 ( -2.338 0.000 -0.266) 2.353 16.698 ( 0.042 0.000 0.392) 0.394 19.740 ( 2.018 0.000 4.871) 5.272 19.834 ( -2.390 0.000 -2.111) 3.189 19.884 ( 9.338 0.000 21.203) 23.168 20.208 ( -1.825 0.000 9.695) 9.865 20.225 ( -3.183 0.000 -11.765) 12.188 20.368 ( -1.607 0.000 -2.621) 3.075 20.402 ( -2.241 0.000 -14.193) 14.369 20.568 ( -1.847 0.000 1.621) 2.457 21.038 ( -4.207 0.000 18.447) 18.921 21.253 ( -0.373 0.000 -0.891) 0.966 21.254 ( -1.605 0.000 -8.774) 8.920 21.454 ( -1.177 0.000 -0.102) 1.182 21.740 ( -0.512 0.000 4.520) 4.549 21.805 ( 1.129 0.000 5.790) 5.899 21.859 ( -0.531 0.000 -1.870) 1.943 21.915 ( 0.627 0.000 2.291) 2.376 21.963 ( 0.441 0.000 0.247) 0.505 22.015 ( -0.645 0.000 -3.898) 3.951 22.123 ( -0.451 0.000 -2.452) 2.493 22.215 ( 0.458 0.000 -0.472) 0.658 22.317 ( -1.622 0.000 0.733) 1.780 22.419 ( 2.636 0.000 1.516) 3.041 22.496 ( -1.139 0.000 -2.063) 2.357 22.663 ( -3.018 0.000 1.143) 3.228 22.753 ( 1.260 0.000 0.853) 1.522 22.788 ( -0.504 0.000 -1.789) 1.859 22.797 ( 0.143 0.000 1.929) 1.934 22.835 ( -0.091 0.000 -0.942) 0.946 22.917 ( 0.540 0.000 0.238) 0.590 22.986 ( 0.738 0.000 1.415) 1.596 23.044 ( -0.383 0.000 -1.463) 1.512 23.055 ( 0.677 0.000 0.970) 1.183 23.315 ( -1.667 0.000 1.493) 2.238 23.316 ( -0.709 0.000 0.956) 1.190 23.468 ( -0.193 0.000 2.554) 2.561 23.512 ( -1.894 0.000 -1.043) 2.162 ======================= Grid point 5 (4/44) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 0.000 13.781 0.000) 13.781 0.334 ( 0.000 17.233 0.000) 17.233 0.459 ( 0.000 26.685 0.000) 26.685 1.036 ( 0.000 5.698 0.000) 5.698 1.114 ( 0.000 -2.922 0.000) 2.922 1.145 ( 0.000 2.789 0.000) 2.789 1.195 ( 0.000 6.023 0.000) 6.023 1.208 ( 0.000 -0.063 0.000) 0.063 1.237 ( 0.000 1.925 0.000) 1.925 1.261 ( 0.000 2.597 0.000) 2.597 1.267 ( 0.000 -1.484 0.000) 1.484 1.301 ( 0.000 0.372 0.000) 0.372 1.326 ( 0.000 0.227 0.000) 0.227 1.327 ( 0.000 0.544 0.000) 0.544 1.352 ( 0.000 2.449 0.000) 2.449 1.363 ( 0.000 -0.290 0.000) 0.290 1.388 ( 0.000 -1.553 0.000) 1.553 1.410 ( 0.000 5.307 0.000) 5.307 1.492 ( 0.000 1.970 0.000) 1.970 1.495 ( 0.000 -0.031 0.000) 0.031 1.507 ( 0.000 1.583 0.000) 1.583 1.529 ( 0.000 -2.230 0.000) 2.230 1.557 ( 0.000 -1.084 0.000) 1.084 1.575 ( 0.000 -1.201 0.000) 1.201 1.583 ( 0.000 -1.644 0.000) 1.644 1.608 ( 0.000 -2.099 0.000) 2.099 1.616 ( 0.000 -3.155 0.000) 3.155 1.654 ( 0.000 -0.393 0.000) 0.393 1.660 ( 0.000 -0.131 0.000) 0.131 1.678 ( 0.000 2.455 0.000) 2.455 1.738 ( 0.000 0.844 0.000) 0.844 1.747 ( 0.000 -0.089 0.000) 0.089 1.752 ( 0.000 0.853 0.000) 0.853 1.955 ( 0.000 -0.803 0.000) 0.803 1.971 ( 0.000 -2.450 0.000) 2.450 2.071 ( 0.000 -4.040 0.000) 4.040 2.115 ( 0.000 -2.657 0.000) 2.657 2.122 ( 0.000 -0.559 0.000) 0.559 2.136 ( 0.000 -1.922 0.000) 1.922 2.143 ( 0.000 1.678 0.000) 1.678 2.161 ( 0.000 -2.515 0.000) 2.515 2.263 ( 0.000 -0.326 0.000) 0.326 2.263 ( 0.000 1.777 0.000) 1.777 2.289 ( 0.000 4.301 0.000) 4.301 2.347 ( 0.000 1.922 0.000) 1.922 2.378 ( 0.000 0.499 0.000) 0.499 2.407 ( 0.000 -1.705 0.000) 1.705 2.496 ( 0.000 -3.642 0.000) 3.642 2.536 ( 0.000 1.656 0.000) 1.656 2.537 ( 0.000 2.337 0.000) 2.337 2.707 ( 0.000 -0.748 0.000) 0.748 2.747 ( 0.000 4.679 0.000) 4.679 2.749 ( 0.000 -6.829 0.000) 6.829 2.956 ( 0.000 2.381 0.000) 2.381 2.960 ( 0.000 4.722 0.000) 4.722 2.974 ( 0.000 1.059 0.000) 1.059 3.069 ( 0.000 -0.576 0.000) 0.576 3.195 ( 0.000 0.847 0.000) 0.847 3.236 ( 0.000 6.377 0.000) 6.377 3.312 ( 0.000 4.624 0.000) 4.624 3.373 ( 0.000 0.926 0.000) 0.926 3.474 ( 0.000 0.742 0.000) 0.742 3.616 ( 0.000 -4.511 0.000) 4.511 3.622 ( 0.000 -3.810 0.000) 3.810 3.673 ( 0.000 -0.104 0.000) 0.104 3.741 ( 0.000 2.393 0.000) 2.393 3.807 ( 0.000 -3.769 0.000) 3.769 3.848 ( 0.000 -3.508 0.000) 3.508 3.876 ( 0.000 0.217 0.000) 0.217 3.895 ( 0.000 4.901 0.000) 4.901 4.042 ( 0.000 2.588 0.000) 2.588 4.105 ( 0.000 5.414 0.000) 5.414 4.145 ( 0.000 -1.454 0.000) 1.454 4.228 ( 0.000 10.746 0.000) 10.746 4.251 ( 0.000 -0.679 0.000) 0.679 4.295 ( 0.000 5.596 0.000) 5.596 4.361 ( 0.000 -4.733 0.000) 4.733 4.364 ( 0.000 3.873 0.000) 3.873 4.444 ( 0.000 5.314 0.000) 5.314 4.470 ( 0.000 -6.453 0.000) 6.453 4.536 ( 0.000 -3.183 0.000) 3.183 4.581 ( 0.000 -0.400 0.000) 0.400 4.682 ( 0.000 2.015 0.000) 2.015 4.776 ( 0.000 -3.849 0.000) 3.849 4.794 ( 0.000 5.541 0.000) 5.541 4.993 ( 0.000 3.854 0.000) 3.854 4.996 ( 0.000 -2.803 0.000) 2.803 5.119 ( 0.000 -4.947 0.000) 4.947 5.148 ( 0.000 0.608 0.000) 0.608 5.212 ( 0.000 -6.064 0.000) 6.064 5.243 ( 0.000 2.106 0.000) 2.106 5.287 ( 0.000 5.260 0.000) 5.260 5.394 ( 0.000 -5.358 0.000) 5.358 5.413 ( 0.000 1.964 0.000) 1.964 5.442 ( 0.000 1.804 0.000) 1.804 5.523 ( 0.000 -4.445 0.000) 4.445 5.531 ( 0.000 5.964 0.000) 5.964 5.702 ( 0.000 -2.264 0.000) 2.264 5.713 ( 0.000 -2.884 0.000) 2.884 5.871 ( 0.000 -0.199 0.000) 0.199 5.880 ( 0.000 -1.831 0.000) 1.831 5.937 ( 0.000 -5.494 0.000) 5.494 6.087 ( 0.000 -4.165 0.000) 4.165 6.130 ( 0.000 -8.109 0.000) 8.109 6.267 ( 0.000 -7.163 0.000) 7.163 6.318 ( 0.000 -9.498 0.000) 9.498 6.497 ( 0.000 -7.693 0.000) 7.693 6.607 ( 0.000 -6.173 0.000) 6.173 6.650 ( 0.000 24.244 0.000) 24.244 7.094 ( 0.000 2.181 0.000) 2.181 7.161 ( 0.000 -1.024 0.000) 1.024 7.284 ( 0.000 0.397 0.000) 0.397 7.311 ( 0.000 3.527 0.000) 3.527 7.608 ( 0.000 1.794 0.000) 1.794 7.699 ( 0.000 4.843 0.000) 4.843 7.710 ( 0.000 5.442 0.000) 5.442 8.005 ( 0.000 0.587 0.000) 0.587 8.012 ( 0.000 2.771 0.000) 2.771 8.324 ( 0.000 -1.117 0.000) 1.117 8.588 ( 0.000 -5.664 0.000) 5.664 8.864 ( 0.000 -0.883 0.000) 0.883 8.943 ( 0.000 0.202 0.000) 0.202 8.967 ( 0.000 -0.831 0.000) 0.831 8.972 ( 0.000 -0.670 0.000) 0.670 9.045 ( 0.000 2.560 0.000) 2.560 9.097 ( 0.000 0.661 0.000) 0.661 9.228 ( 0.000 2.166 0.000) 2.166 9.365 ( 0.000 -0.840 0.000) 0.840 9.422 ( 0.000 0.541 0.000) 0.541 9.532 ( 0.000 -1.331 0.000) 1.331 9.567 ( 0.000 -1.167 0.000) 1.167 9.603 ( 0.000 -0.977 0.000) 0.977 9.613 ( 0.000 -0.087 0.000) 0.087 9.637 ( 0.000 0.458 0.000) 0.458 9.741 ( 0.000 -2.388 0.000) 2.388 9.766 ( 0.000 -3.918 0.000) 3.918 9.833 ( 0.000 2.089 0.000) 2.089 9.884 ( 0.000 3.353 0.000) 3.353 9.896 ( 0.000 -2.235 0.000) 2.235 9.969 ( 0.000 0.309 0.000) 0.309 9.989 ( 0.000 0.368 0.000) 0.368 10.013 ( 0.000 -3.087 0.000) 3.087 10.079 ( 0.000 -0.688 0.000) 0.688 10.211 ( 0.000 -0.634 0.000) 0.634 10.293 ( 0.000 6.899 0.000) 6.899 10.330 ( 0.000 1.268 0.000) 1.268 10.685 ( 0.000 0.271 0.000) 0.271 10.710 ( 0.000 -1.163 0.000) 1.163 10.765 ( 0.000 -0.228 0.000) 0.228 10.886 ( 0.000 -3.739 0.000) 3.739 10.925 ( 0.000 0.511 0.000) 0.511 11.139 ( 0.000 -3.210 0.000) 3.210 11.333 ( 0.000 12.098 0.000) 12.098 11.365 ( 0.000 12.245 0.000) 12.245 12.053 ( 0.000 31.277 0.000) 31.277 12.872 ( 0.000 9.487 0.000) 9.487 13.536 ( 0.000 -1.007 0.000) 1.007 14.106 ( 0.000 -3.068 0.000) 3.068 14.611 ( 0.000 -2.287 0.000) 2.287 14.615 ( 0.000 8.971 0.000) 8.971 14.682 ( 0.000 -0.460 0.000) 0.460 14.949 ( 0.000 10.718 0.000) 10.718 15.737 ( 0.000 -3.555 0.000) 3.555 15.803 ( 0.000 -1.021 0.000) 1.021 15.892 ( 0.000 -3.926 0.000) 3.926 15.906 ( 0.000 -1.493 0.000) 1.493 16.585 ( 0.000 -4.881 0.000) 4.881 16.667 ( 0.000 -1.852 0.000) 1.852 19.478 ( 0.000 4.096 0.000) 4.096 19.496 ( 0.000 3.521 0.000) 3.521 19.663 ( 0.000 2.661 0.000) 2.661 19.904 ( 0.000 0.470 0.000) 0.470 20.369 ( 0.000 -6.142 0.000) 6.142 20.421 ( 0.000 -7.146 0.000) 7.146 20.537 ( 0.000 -3.395 0.000) 3.395 20.595 ( 0.000 -1.605 0.000) 1.605 20.706 ( 0.000 6.007 0.000) 6.007 21.292 ( 0.000 1.530 0.000) 1.530 21.429 ( 0.000 -4.374 0.000) 4.374 21.514 ( 0.000 5.178 0.000) 5.178 21.613 ( 0.000 -4.403 0.000) 4.403 21.649 ( 0.000 0.309 0.000) 0.309 21.891 ( 0.000 1.852 0.000) 1.852 21.947 ( 0.000 0.094 0.000) 0.094 21.971 ( 0.000 1.352 0.000) 1.352 22.107 ( 0.000 2.660 0.000) 2.660 22.144 ( 0.000 -2.865 0.000) 2.865 22.227 ( 0.000 -1.149 0.000) 1.149 22.294 ( 0.000 1.949 0.000) 1.949 22.352 ( 0.000 2.212 0.000) 2.212 22.564 ( 0.000 -5.969 0.000) 5.969 22.628 ( 0.000 0.321 0.000) 0.321 22.657 ( 0.000 -1.177 0.000) 1.177 22.722 ( 0.000 0.178 0.000) 0.178 22.797 ( 0.000 -1.230 0.000) 1.230 22.808 ( 0.000 -4.169 0.000) 4.169 22.980 ( 0.000 2.462 0.000) 2.462 23.016 ( 0.000 1.876 0.000) 1.876 23.068 ( 0.000 0.420 0.000) 0.420 23.174 ( 0.000 -0.595 0.000) 0.595 23.199 ( 0.000 -0.235 0.000) 0.235 23.303 ( 0.000 -1.969 0.000) 1.969 23.321 ( 0.000 -1.177 0.000) 1.177 23.555 ( 0.000 -5.905 0.000) 5.905 ======================= Grid point 6 (5/44) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 9.405 13.430 -4.742) 17.068 0.366 ( 3.169 12.751 2.485) 13.372 0.662 ( 14.441 14.500 13.432) 24.479 0.969 ( -5.711 0.731 3.656) 6.821 0.996 ( -3.503 3.263 -11.600) 12.549 1.109 ( -9.100 0.522 -0.034) 9.115 1.132 ( -7.662 2.513 -4.837) 9.403 1.161 ( -5.664 4.276 -4.068) 8.180 1.177 ( 1.677 1.845 -4.738) 5.354 1.210 ( -4.505 0.559 4.607) 6.467 1.239 ( -2.167 1.187 4.827) 5.423 1.323 ( 2.188 -0.256 0.604) 2.284 1.337 ( 1.662 -0.042 1.233) 2.070 1.361 ( 0.329 0.802 -0.237) 0.898 1.374 ( 4.121 0.400 -1.716) 4.482 1.400 ( 0.596 1.035 0.915) 1.504 1.419 ( 0.532 0.515 -0.655) 0.988 1.442 ( 3.668 1.643 0.222) 4.025 1.478 ( 0.494 0.528 -1.592) 1.749 1.496 ( -1.287 -2.636 0.589) 2.992 1.506 ( -1.289 -1.951 -0.465) 2.384 1.519 ( 0.836 0.989 0.257) 1.320 1.561 ( 0.584 0.189 -0.278) 0.674 1.585 ( 0.305 -0.531 1.331) 1.465 1.590 ( -0.287 -0.309 0.340) 0.541 1.609 ( 1.059 -1.794 0.237) 2.096 1.639 ( 0.771 -0.729 -0.399) 1.134 1.666 ( 2.069 -0.595 -0.027) 2.153 1.673 ( -0.513 2.781 0.641) 2.900 1.691 ( 1.132 -0.067 0.214) 1.155 1.713 ( -1.096 -0.595 -0.804) 1.484 1.744 ( 0.970 0.056 0.046) 0.972 1.772 ( -0.566 -1.443 2.069) 2.585 1.887 ( -0.452 -1.981 -7.437) 7.709 1.961 ( -3.948 -3.565 -9.517) 10.903 2.007 ( 0.592 -4.420 -1.179) 4.613 2.018 ( 1.841 2.022 -3.767) 4.655 2.103 ( -1.244 -1.563 -2.735) 3.386 2.137 ( -1.197 0.844 -1.146) 1.859 2.180 ( 0.660 -0.163 -0.114) 0.689 2.227 ( -2.155 3.266 0.981) 4.034 2.243 ( 2.671 1.471 0.122) 3.052 2.307 ( -0.359 1.009 -0.922) 1.413 2.335 ( 2.135 0.649 0.640) 2.321 2.368 ( 3.994 -3.439 -3.002) 6.065 2.427 ( 8.729 1.363 0.074) 8.835 2.441 ( 1.205 -1.951 -1.399) 2.686 2.550 ( 1.190 -0.690 0.804) 1.593 2.578 ( 5.414 -2.963 1.858) 6.445 2.613 ( 3.281 1.121 4.546) 5.717 2.686 ( 1.508 -4.166 -1.561) 4.698 2.731 ( -1.617 -4.684 0.815) 5.022 2.755 ( -1.575 6.292 0.304) 6.493 2.888 ( -4.282 0.055 2.192) 4.811 2.929 ( -1.521 3.997 -0.576) 4.315 3.025 ( 4.292 2.074 -6.170) 7.797 3.124 ( 7.905 0.604 3.457) 8.649 3.149 ( -3.755 1.866 -1.250) 4.375 3.290 ( -0.394 2.300 1.760) 2.923 3.310 ( 6.124 2.055 1.230) 6.576 3.397 ( 0.855 -0.495 2.279) 2.484 3.564 ( -2.287 -4.177 -1.110) 4.890 3.580 ( 0.997 -1.801 -2.118) 2.953 3.641 ( 1.340 -1.172 1.238) 2.169 3.690 ( 5.739 1.511 -2.563) 6.465 3.748 ( -1.388 -0.479 0.686) 1.621 3.797 ( -3.140 -0.685 -1.653) 3.615 3.832 ( -1.889 -3.183 5.776) 6.860 3.901 ( 1.646 -0.440 2.632) 3.135 3.957 ( 1.402 2.037 3.607) 4.374 4.003 ( -1.742 0.852 -2.723) 3.343 4.063 ( -4.153 4.047 3.020) 6.538 4.101 ( -1.762 2.439 -0.499) 3.050 4.231 ( -0.534 1.601 0.683) 1.821 4.247 ( -1.841 3.973 1.222) 4.546 4.304 ( 2.538 3.249 -0.338) 4.136 4.346 ( 0.632 3.220 -1.686) 3.689 4.363 ( -0.604 6.691 -1.445) 6.872 4.465 ( 5.787 -3.283 -0.302) 6.660 4.516 ( 5.848 -1.507 -1.386) 6.196 4.539 ( -0.348 1.546 -5.119) 5.358 4.593 ( 4.804 4.248 -1.687) 6.631 4.706 ( 4.212 -0.517 -2.257) 4.806 4.749 ( 0.511 -1.369 -0.380) 1.510 4.882 ( -1.010 -0.636 10.281) 10.350 4.943 ( -5.854 1.131 5.182) 7.899 5.038 ( -0.117 -0.400 -1.582) 1.636 5.123 ( 2.270 -5.685 -7.383) 9.591 5.165 ( -2.376 -0.080 2.909) 3.757 5.215 ( 1.036 0.885 0.722) 1.542 5.246 ( -1.263 2.824 -2.862) 4.214 5.322 ( 4.616 -0.153 2.540) 5.271 5.359 ( 1.304 -0.391 -1.379) 1.938 5.424 ( 1.342 1.087 -2.745) 3.243 5.440 ( 2.129 -0.719 -1.584) 2.750 5.535 ( 1.889 1.728 -2.179) 3.362 5.592 ( -0.077 -0.158 3.239) 3.244 5.673 ( -1.161 0.995 -1.071) 1.866 5.727 ( 0.265 -2.122 -0.124) 2.142 5.857 ( -1.129 -0.757 -0.458) 1.435 5.895 ( 5.388 -0.363 -2.784) 6.075 5.960 ( 0.820 -4.951 3.689) 6.229 6.047 ( 1.934 -2.368 -4.213) 5.206 6.189 ( 4.401 -6.665 3.043) 8.547 6.292 ( -3.323 -7.472 -1.241) 8.271 6.309 ( 0.724 -5.305 2.303) 5.828 6.464 ( -5.024 1.572 1.006) 5.359 6.522 ( -4.929 2.908 -0.240) 5.728 6.765 ( 8.921 2.734 0.435) 9.340 7.040 ( -7.671 3.394 -3.041) 8.923 7.187 ( 6.949 2.075 3.125) 7.897 7.258 ( -0.472 1.126 -1.862) 2.226 7.264 ( 1.566 1.965 -0.925) 2.677 7.553 ( 4.893 5.903 -5.248) 9.292 7.704 ( 0.643 4.721 0.218) 4.769 7.778 ( -0.112 3.588 -1.809) 4.020 7.990 ( -1.426 0.092 -0.136) 1.435 8.212 ( 17.749 -10.299 -9.107) 22.451 8.361 ( 1.124 -3.318 5.512) 6.531 8.491 ( -5.214 -4.445 -8.875) 11.212 8.830 ( -1.610 -0.959 -0.892) 2.075 8.944 ( -1.167 -0.797 -0.584) 1.529 8.970 ( 4.190 0.421 -3.042) 5.195 8.988 ( 0.307 -0.356 1.753) 1.815 9.070 ( -1.329 0.011 2.515) 2.845 9.083 ( -1.439 3.648 4.012) 5.611 9.211 ( -1.528 1.805 0.168) 2.371 9.348 ( -1.257 0.352 -3.029) 3.298 9.404 ( -0.658 0.334 -3.450) 3.528 9.476 ( -2.471 -0.224 -0.427) 2.518 9.565 ( 0.361 -0.424 0.718) 0.909 9.619 ( -0.602 -1.544 1.255) 2.079 9.631 ( 0.335 -0.397 0.918) 1.055 9.658 ( -4.387 -0.992 -0.661) 4.546 9.689 ( 1.353 0.035 1.876) 2.313 9.710 ( -4.168 0.213 1.585) 4.464 9.867 ( -0.554 2.382 -1.457) 2.847 9.870 ( 0.890 -1.048 1.530) 2.057 9.912 ( 0.587 -0.076 -0.368) 0.696 9.963 ( 0.651 0.345 -1.506) 1.677 9.986 ( -0.768 0.772 1.152) 1.585 10.066 ( 1.143 -2.537 0.166) 2.788 10.107 ( 2.932 -4.223 1.453) 5.342 10.182 ( -1.271 0.410 -0.292) 1.367 10.276 ( -0.999 3.417 -1.676) 3.935 10.366 ( 5.701 5.063 0.771) 7.664 10.685 ( -2.707 -1.321 2.166) 3.709 10.696 ( 0.682 0.880 -0.467) 1.207 10.792 ( 3.805 -0.710 0.197) 3.875 10.858 ( -1.983 -2.762 -1.545) 3.735 10.955 ( 0.163 -1.139 3.260) 3.457 11.101 ( -3.926 -2.847 -1.293) 5.019 11.423 ( 12.021 8.417 -0.767) 14.695 11.563 ( 16.514 -2.217 0.248) 16.664 12.129 ( 8.354 31.658 1.655) 32.783 12.883 ( 11.376 5.439 -16.377) 20.668 13.436 ( -13.535 -5.105 -2.205) 14.633 13.687 ( -32.480 8.820 -2.329) 33.737 14.094 ( -26.881 14.747 -13.459) 33.485 14.365 ( -13.500 32.897 -24.967) 43.449 14.968 ( 23.301 -2.600 -2.082) 23.538 15.070 ( 17.757 2.216 -1.661) 17.972 15.661 ( -7.316 -4.502 0.531) 8.607 15.696 ( -8.217 -1.805 -2.224) 8.702 15.959 ( 8.675 -1.656 -1.836) 9.021 16.058 ( 11.321 -2.606 0.876) 11.650 16.568 ( -1.964 -4.174 -0.540) 4.645 16.670 ( -0.327 -2.441 0.432) 2.500 19.569 ( 3.506 1.046 10.557) 11.174 19.705 ( 1.890 2.865 7.819) 8.540 19.828 ( 0.735 -10.376 27.463) 29.368 19.894 ( 2.569 -1.973 -3.317) 4.636 20.328 ( -2.645 -6.212 -5.385) 8.636 20.371 ( -2.006 -7.122 -6.108) 9.594 20.525 ( -2.534 -2.612 -1.364) 3.886 20.587 ( -0.918 -0.353 0.339) 1.040 20.853 ( -0.851 0.699 23.797) 23.823 21.295 ( 0.086 1.981 0.396) 2.022 21.364 ( -1.191 -0.766 -8.320) 8.440 21.532 ( -3.816 1.265 -2.943) 4.982 21.607 ( 2.309 -1.639 8.743) 9.190 21.717 ( 1.050 -2.192 6.713) 7.140 21.895 ( 0.316 1.454 0.678) 1.636 21.911 ( -1.631 1.196 -2.874) 3.515 21.965 ( 0.243 1.816 1.081) 2.127 22.089 ( -1.579 1.833 -1.879) 3.063 22.109 ( -1.667 -3.282 -3.966) 5.412 22.250 ( 0.250 -1.224 0.089) 1.252 22.317 ( 2.319 1.025 1.615) 3.006 22.367 ( 0.406 1.909 1.945) 2.756 22.486 ( -1.025 -5.789 -6.887) 9.055 22.654 ( -0.112 -3.260 1.044) 3.425 22.698 ( 0.499 0.218 0.991) 1.131 22.744 ( 0.390 -1.292 4.312) 4.518 22.770 ( 0.233 -2.026 -2.717) 3.397 22.806 ( -0.054 -3.742 -1.112) 3.904 22.989 ( 0.306 2.132 0.947) 2.353 23.020 ( -0.756 2.813 0.848) 3.033 23.049 ( -1.777 2.511 -1.345) 3.357 23.077 ( -0.354 1.893 -0.888) 2.120 23.282 ( -1.201 -2.794 3.506) 4.641 23.317 ( -0.914 -1.192 1.530) 2.144 23.368 ( 2.499 -3.496 5.515) 6.992 23.527 ( -2.311 -4.812 -1.151) 5.461 ======================= Grid point 7 (6/44) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 5.780 0.032 5.990) 8.324 0.535 ( 12.645 3.912 2.574) 13.485 0.830 ( -4.757 3.709 -5.368) 8.075 0.886 ( -5.947 2.538 -3.070) 7.158 0.920 ( -6.321 3.197 -6.353) 9.515 0.975 ( -3.188 -0.148 4.307) 5.361 1.035 ( -0.765 5.880 -0.008) 5.929 1.082 ( 6.363 7.201 6.900) 11.830 1.117 ( 0.445 3.158 -1.756) 3.641 1.230 ( -0.037 2.456 2.098) 3.230 1.268 ( 0.781 -2.548 1.582) 3.099 1.330 ( -1.856 0.926 -2.102) 2.953 1.365 ( 0.106 0.086 -1.787) 1.792 1.372 ( -1.220 0.787 -0.808) 1.662 1.384 ( 1.101 1.758 0.621) 2.166 1.403 ( -0.984 -0.948 -1.423) 1.973 1.421 ( 3.121 0.019 0.335) 3.139 1.451 ( -0.786 -1.706 -0.475) 1.938 1.489 ( 0.778 -0.162 -0.268) 0.839 1.491 ( 1.788 0.783 0.536) 2.025 1.511 ( -0.229 -2.653 -0.782) 2.775 1.537 ( 0.412 -0.511 0.359) 0.748 1.551 ( -1.268 -1.190 -0.391) 1.783 1.582 ( -0.824 -0.100 -0.488) 0.963 1.587 ( -1.909 -1.048 0.296) 2.198 1.616 ( -0.565 -0.486 -0.867) 1.143 1.633 ( -0.350 0.023 -0.407) 0.537 1.647 ( -0.566 -2.391 0.048) 2.457 1.676 ( 0.573 2.724 1.624) 3.223 1.694 ( -0.058 1.422 0.546) 1.524 1.723 ( -0.191 -0.347 -1.508) 1.559 1.756 ( 0.245 -1.777 -0.061) 1.795 1.794 ( 2.125 -2.037 -0.082) 2.945 1.810 ( -2.128 0.508 -6.258) 6.630 1.894 ( 3.754 -1.055 -0.615) 3.948 1.965 ( 2.168 4.294 -3.295) 5.831 2.030 ( -0.962 -0.899 -1.175) 1.765 2.068 ( -3.735 1.143 -0.184) 3.910 2.120 ( 1.874 0.144 2.268) 2.946 2.184 ( -0.353 1.282 -2.196) 2.567 2.208 ( -0.836 2.722 0.479) 2.888 2.263 ( 0.771 1.381 -0.007) 1.582 2.285 ( -0.810 2.323 -1.075) 2.685 2.331 ( -0.946 2.289 -2.543) 3.550 2.375 ( 0.701 -0.446 0.453) 0.946 2.463 ( 2.470 -3.453 -0.894) 4.338 2.521 ( 2.190 0.711 -0.075) 2.304 2.576 ( 0.951 -2.790 2.051) 3.591 2.656 ( 0.827 -0.346 2.293) 2.462 2.669 ( 2.082 -0.267 -3.716) 4.268 2.678 ( 0.606 -2.149 0.802) 2.372 2.720 ( -1.433 -0.389 2.940) 3.294 2.738 ( -2.846 -0.613 -0.788) 3.016 2.853 ( -2.292 -1.174 2.076) 3.307 2.939 ( 3.076 2.738 -0.559) 4.156 3.035 ( -2.912 2.182 0.584) 3.685 3.157 ( 7.551 -3.119 2.133) 8.444 3.248 ( 4.036 -0.922 -3.724) 5.568 3.287 ( -1.938 -0.643 3.262) 3.849 3.396 ( -2.642 -3.102 -3.267) 5.223 3.429 ( 2.577 -0.999 2.624) 3.811 3.493 ( 0.567 -0.548 -0.541) 0.956 3.576 ( 2.502 -0.500 -0.498) 2.600 3.662 ( -1.102 -2.078 -1.736) 2.923 3.703 ( -1.626 4.658 -1.163) 5.069 3.724 ( -5.560 -3.072 3.476) 7.240 3.744 ( 1.404 0.779 -1.899) 2.486 3.855 ( 2.194 1.759 -0.212) 2.820 3.915 ( -1.167 0.871 1.899) 2.393 3.970 ( -0.830 -3.330 0.074) 3.433 3.991 ( -2.258 1.334 0.483) 2.667 4.056 ( 1.166 1.402 3.605) 4.040 4.110 ( 0.204 -0.088 0.385) 0.445 4.216 ( 0.269 2.674 -2.585) 3.729 4.277 ( 0.520 1.790 3.406) 3.882 4.316 ( 0.057 1.306 2.343) 2.683 4.364 ( 2.158 2.397 -1.111) 3.411 4.379 ( 2.463 3.352 -2.207) 4.709 4.451 ( -0.546 2.416 -3.532) 4.314 4.557 ( 3.919 0.387 -0.606) 3.985 4.626 ( 4.702 -0.882 0.696) 4.834 4.642 ( 1.517 8.358 -1.002) 8.553 4.719 ( 1.450 4.060 -1.121) 4.455 4.799 ( 3.289 -3.059 1.160) 4.639 4.861 ( -5.950 -0.034 0.920) 6.021 4.965 ( -1.523 -1.278 6.463) 6.762 4.995 ( -2.633 0.805 2.242) 3.551 5.063 ( 0.794 -2.615 -7.530) 8.010 5.104 ( -5.198 2.565 0.639) 5.832 5.197 ( 0.695 -1.935 -1.420) 2.499 5.286 ( 1.453 0.028 2.258) 2.685 5.328 ( -1.176 -0.773 -0.744) 1.591 5.430 ( 2.892 0.725 0.947) 3.128 5.446 ( 2.331 1.795 0.301) 2.958 5.460 ( 2.358 0.365 -3.315) 4.084 5.523 ( 0.642 3.164 -3.142) 4.505 5.570 ( -3.738 1.972 0.553) 4.262 5.648 ( 0.189 8.214 0.808) 8.256 5.748 ( 0.993 -1.961 -0.008) 2.198 5.829 ( -0.906 -0.306 -0.229) 0.983 5.977 ( 3.585 2.254 0.443) 4.258 6.022 ( 3.674 1.147 1.871) 4.280 6.105 ( 5.811 -2.335 -1.641) 6.474 6.187 ( -3.636 -3.558 -1.386) 5.273 6.259 ( -2.662 2.376 -0.481) 3.600 6.305 ( -0.688 -5.148 1.471) 5.398 6.433 ( -1.076 -5.150 1.686) 5.525 6.441 ( -3.686 -1.014 0.730) 3.892 6.901 ( 5.059 -4.637 0.645) 6.893 6.941 ( -1.850 -1.277 -0.995) 2.458 7.192 ( -1.672 -0.316 -1.895) 2.547 7.259 ( 0.056 -1.903 0.068) 1.905 7.428 ( 10.053 5.242 1.785) 11.477 7.605 ( 4.014 5.720 -0.709) 7.024 7.727 ( 0.473 2.927 0.552) 3.015 7.739 ( -1.401 4.464 -0.484) 4.703 7.989 ( 2.030 -0.954 0.953) 2.437 8.276 ( -7.794 -2.326 -5.191) 9.649 8.305 ( 2.892 -3.415 -4.009) 6.008 8.438 ( 2.426 -9.191 -0.092) 9.507 8.810 ( -0.526 -2.005 0.028) 2.073 8.922 ( -0.816 -1.088 -0.164) 1.370 9.006 ( 4.095 -0.530 -3.080) 5.152 9.024 ( 1.913 -0.577 0.710) 2.120 9.055 ( -3.278 1.276 2.812) 4.503 9.116 ( -0.178 3.551 2.992) 4.647 9.201 ( -0.262 1.130 0.774) 1.394 9.291 ( -1.068 0.971 -2.854) 3.198 9.349 ( -1.376 0.773 -2.391) 2.865 9.459 ( 0.233 -0.032 0.589) 0.634 9.515 ( -4.853 -0.053 -0.995) 4.954 9.610 ( 0.584 -0.726 -0.055) 0.933 9.616 ( -1.901 0.929 0.320) 2.140 9.671 ( 1.958 -1.488 2.219) 3.312 9.702 ( -0.211 0.223 2.294) 2.315 9.723 ( 0.509 -0.323 -0.320) 0.682 9.841 ( -0.616 1.016 -1.320) 1.776 9.875 ( -0.291 1.555 -0.610) 1.695 9.915 ( 0.096 0.733 0.425) 0.853 9.967 ( 0.896 -0.552 -0.633) 1.228 9.983 ( -0.782 1.115 0.654) 1.511 10.073 ( 0.437 -3.206 -0.431) 3.264 10.122 ( -0.670 -4.695 0.232) 4.748 10.178 ( 0.066 1.313 0.137) 1.322 10.293 ( 1.989 -0.783 0.013) 2.138 10.446 ( 2.992 3.610 0.095) 4.689 10.669 ( -1.363 -1.840 1.302) 2.634 10.704 ( 0.543 0.771 -0.318) 0.995 10.816 ( -1.161 -2.217 -0.741) 2.610 10.877 ( 5.083 -2.332 1.635) 5.826 10.977 ( -0.586 -1.334 1.156) 1.860 11.005 ( -4.924 -1.686 -1.871) 5.531 11.655 ( 12.644 0.826 0.170) 12.673 11.767 ( 7.743 -2.550 -0.087) 8.152 12.378 ( 20.255 26.999 7.442) 34.563 12.899 ( 2.037 -9.359 -12.827) 16.008 12.968 ( -26.588 -1.580 -11.654) 29.073 13.269 ( -18.665 22.633 4.068) 29.617 13.728 ( -6.991 23.928 -3.892) 25.231 14.070 ( -4.964 32.902 -6.257) 33.857 15.236 ( 10.178 -2.230 -0.058) 10.420 15.270 ( 8.928 -0.557 -1.170) 9.022 15.545 ( -6.250 -3.798 -0.419) 7.325 15.577 ( -4.284 -3.708 -0.432) 5.682 16.063 ( 4.423 -0.846 -0.428) 4.524 16.203 ( 5.343 -2.121 0.029) 5.749 16.528 ( -1.839 -2.820 -0.206) 3.373 16.668 ( -0.396 -3.247 0.416) 3.298 19.717 ( 2.958 -2.142 7.198) 8.072 19.807 ( -2.019 -0.905 -0.955) 2.410 19.928 ( 6.577 2.194 13.374) 15.064 20.076 ( 2.417 -10.626 14.155) 17.864 20.177 ( -6.128 -4.177 -10.974) 13.245 20.264 ( -1.337 -7.642 -9.508) 12.272 20.442 ( -1.987 2.155 -4.657) 5.503 20.577 ( -0.681 0.391 0.465) 0.913 21.050 ( -1.188 1.446 18.308) 18.404 21.235 ( -1.329 -0.774 -11.001) 11.108 21.309 ( 0.567 4.476 -0.435) 4.533 21.461 ( -1.795 0.738 -1.381) 2.382 21.715 ( 1.242 -1.476 5.277) 5.618 21.799 ( 0.959 -1.522 6.426) 6.673 21.864 ( -0.692 -0.262 -3.724) 3.796 21.917 ( 0.835 0.352 1.259) 1.551 21.980 ( 0.354 1.807 0.478) 1.903 22.030 ( -1.717 -3.853 -2.764) 5.043 22.036 ( -1.383 0.446 -3.795) 4.064 22.267 ( 1.547 -1.381 0.406) 2.113 22.326 ( -1.509 4.539 0.064) 4.784 22.415 ( 1.173 -5.265 -2.553) 5.968 22.436 ( 1.592 -0.559 1.597) 2.323 22.627 ( -3.446 -3.024 0.460) 4.608 22.709 ( 0.289 -2.489 0.317) 2.526 22.732 ( 0.017 -4.108 -1.937) 4.542 22.795 ( -0.029 -3.579 0.598) 3.628 22.804 ( 0.916 -0.422 0.231) 1.034 22.999 ( -0.247 3.337 0.613) 3.402 23.013 ( 0.028 3.350 0.918) 3.474 23.030 ( -0.571 0.698 -0.926) 1.293 23.083 ( 0.667 1.246 0.058) 1.415 23.288 ( -1.279 -2.237 2.110) 3.330 23.313 ( -0.430 -0.606 0.108) 0.750 23.433 ( 0.712 -2.972 2.231) 3.784 23.484 ( -1.250 -2.787 -0.702) 3.134 ======================= Grid point 10 (7/44) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 14.655 0.000) 14.655 0.672 ( 0.000 17.087 0.000) 17.087 0.954 ( 0.000 20.454 0.000) 20.454 1.074 ( 0.000 -0.021 0.000) 0.021 1.144 ( 0.000 3.343 0.000) 3.343 1.200 ( 0.000 1.019 0.000) 1.019 1.230 ( 0.000 3.315 0.000) 3.315 1.235 ( 0.000 1.335 0.000) 1.335 1.238 ( 0.000 0.636 0.000) 0.636 1.267 ( 0.000 0.668 0.000) 0.668 1.306 ( 0.000 0.452 0.000) 0.452 1.310 ( 0.000 0.530 0.000) 0.530 1.335 ( 0.000 0.312 0.000) 0.312 1.349 ( 0.000 -0.321 0.000) 0.321 1.378 ( 0.000 0.283 0.000) 0.283 1.394 ( 0.000 2.676 0.000) 2.676 1.416 ( 0.000 3.464 0.000) 3.464 1.423 ( 0.000 -1.239 0.000) 1.239 1.473 ( 0.000 -2.568 0.000) 2.568 1.502 ( 0.000 -1.381 0.000) 1.381 1.523 ( 0.000 -2.390 0.000) 2.390 1.525 ( 0.000 -3.828 0.000) 3.828 1.534 ( 0.000 0.837 0.000) 0.837 1.540 ( 0.000 -1.376 0.000) 1.376 1.549 ( 0.000 -2.850 0.000) 2.850 1.581 ( 0.000 1.278 0.000) 1.278 1.587 ( 0.000 0.981 0.000) 0.981 1.630 ( 0.000 -2.338 0.000) 2.338 1.679 ( 0.000 2.962 0.000) 2.962 1.740 ( 0.000 1.150 0.000) 1.150 1.763 ( 0.000 0.322 0.000) 0.322 1.787 ( 0.000 8.190 0.000) 8.190 1.873 ( 0.000 11.978 0.000) 11.978 1.942 ( 0.000 -0.396 0.000) 0.396 1.944 ( 0.000 -1.122 0.000) 1.122 1.981 ( 0.000 -3.617 0.000) 3.617 2.038 ( 0.000 -3.688 0.000) 3.688 2.061 ( 0.000 -4.187 0.000) 4.187 2.095 ( 0.000 -0.628 0.000) 0.628 2.182 ( 0.000 2.902 0.000) 2.902 2.187 ( 0.000 1.157 0.000) 1.157 2.255 ( 0.000 -0.674 0.000) 0.674 2.270 ( 0.000 -1.552 0.000) 1.552 2.319 ( 0.000 -1.937 0.000) 1.937 2.343 ( 0.000 -3.582 0.000) 3.582 2.392 ( 0.000 6.154 0.000) 6.154 2.413 ( 0.000 -1.768 0.000) 1.768 2.462 ( 0.000 4.312 0.000) 4.312 2.560 ( 0.000 0.858 0.000) 0.858 2.579 ( 0.000 1.193 0.000) 1.193 2.616 ( 0.000 -5.947 0.000) 5.947 2.759 ( 0.000 4.473 0.000) 4.473 2.782 ( 0.000 1.818 0.000) 1.818 2.963 ( 0.000 -1.728 0.000) 1.728 3.006 ( 0.000 -0.639 0.000) 0.639 3.051 ( 0.000 -0.427 0.000) 0.427 3.088 ( 0.000 5.840 0.000) 5.840 3.210 ( 0.000 0.423 0.000) 0.423 3.342 ( 0.000 3.595 0.000) 3.595 3.419 ( 0.000 2.544 0.000) 2.544 3.424 ( 0.000 7.394 0.000) 7.394 3.494 ( 0.000 0.837 0.000) 0.837 3.515 ( 0.000 -6.169 0.000) 6.169 3.560 ( 0.000 -0.183 0.000) 0.183 3.679 ( 0.000 0.347 0.000) 0.347 3.761 ( 0.000 0.946 0.000) 0.946 3.774 ( 0.000 -2.723 0.000) 2.723 3.848 ( 0.000 6.415 0.000) 6.415 3.889 ( 0.000 1.032 0.000) 1.032 3.995 ( 0.000 3.341 0.000) 3.341 4.087 ( 0.000 3.620 0.000) 3.620 4.097 ( 0.000 -5.048 0.000) 5.048 4.180 ( 0.000 -5.627 0.000) 5.627 4.232 ( 0.000 6.695 0.000) 6.695 4.262 ( 0.000 -5.473 0.000) 5.473 4.324 ( 0.000 0.879 0.000) 0.879 4.339 ( 0.000 -4.751 0.000) 4.751 4.408 ( 0.000 3.430 0.000) 3.430 4.461 ( 0.000 -4.334 0.000) 4.334 4.494 ( 0.000 8.546 0.000) 8.546 4.566 ( 0.000 3.674 0.000) 3.674 4.635 ( 0.000 7.842 0.000) 7.842 4.682 ( 0.000 -5.158 0.000) 5.158 4.749 ( 0.000 4.659 0.000) 4.659 4.913 ( 0.000 6.528 0.000) 6.528 4.921 ( 0.000 -5.778 0.000) 5.778 4.978 ( 0.000 -8.582 0.000) 8.582 5.066 ( 0.000 -7.359 0.000) 7.359 5.082 ( 0.000 4.666 0.000) 4.666 5.123 ( 0.000 -4.629 0.000) 4.629 5.244 ( 0.000 -1.911 0.000) 1.911 5.260 ( 0.000 -7.450 0.000) 7.450 5.376 ( 0.000 3.498 0.000) 3.498 5.402 ( 0.000 -7.995 0.000) 7.995 5.478 ( 0.000 2.399 0.000) 2.399 5.519 ( 0.000 6.200 0.000) 6.200 5.618 ( 0.000 -6.548 0.000) 6.548 5.662 ( 0.000 6.550 0.000) 6.550 5.679 ( 0.000 1.953 0.000) 1.953 5.798 ( 0.000 -7.033 0.000) 7.033 5.809 ( 0.000 -6.470 0.000) 6.470 5.848 ( 0.000 -0.998 0.000) 0.998 5.901 ( 0.000 -13.396 0.000) 13.396 6.028 ( 0.000 -0.593 0.000) 0.593 6.083 ( 0.000 -12.285 0.000) 12.285 6.140 ( 0.000 -6.794 0.000) 6.794 6.307 ( 0.000 -10.758 0.000) 10.758 6.466 ( 0.000 -8.240 0.000) 8.240 7.107 ( 0.000 14.436 0.000) 14.436 7.151 ( 0.000 3.099 0.000) 3.099 7.182 ( 0.000 5.902 0.000) 5.902 7.362 ( 0.000 10.380 0.000) 10.380 7.383 ( 0.000 3.107 0.000) 3.107 7.670 ( 0.000 4.140 0.000) 4.140 7.784 ( 0.000 2.967 0.000) 2.967 7.814 ( 0.000 3.512 0.000) 3.512 8.033 ( 0.000 3.081 0.000) 3.081 8.099 ( 0.000 5.881 0.000) 5.881 8.294 ( 0.000 -2.041 0.000) 2.041 8.462 ( 0.000 -6.449 0.000) 6.449 8.849 ( 0.000 -0.400 0.000) 0.400 8.941 ( 0.000 -1.768 0.000) 1.768 8.948 ( 0.000 0.092 0.000) 0.092 8.958 ( 0.000 -0.604 0.000) 0.604 9.083 ( 0.000 2.180 0.000) 2.180 9.152 ( 0.000 4.286 0.000) 4.286 9.288 ( 0.000 3.729 0.000) 3.729 9.336 ( 0.000 -2.843 0.000) 2.843 9.405 ( 0.000 -1.936 0.000) 1.936 9.506 ( 0.000 -0.873 0.000) 0.873 9.557 ( 0.000 -0.344 0.000) 0.344 9.575 ( 0.000 -1.343 0.000) 1.343 9.607 ( 0.000 -0.573 0.000) 0.573 9.654 ( 0.000 -0.036 0.000) 0.036 9.657 ( 0.000 -6.407 0.000) 6.407 9.725 ( 0.000 1.852 0.000) 1.852 9.817 ( 0.000 -5.659 0.000) 5.659 9.884 ( 0.000 2.961 0.000) 2.961 9.946 ( 0.000 -2.237 0.000) 2.237 9.959 ( 0.000 3.845 0.000) 3.845 9.982 ( 0.000 -0.595 0.000) 0.595 10.004 ( 0.000 1.405 0.000) 1.405 10.057 ( 0.000 -1.365 0.000) 1.365 10.188 ( 0.000 -1.820 0.000) 1.820 10.365 ( 0.000 2.841 0.000) 2.841 10.434 ( 0.000 6.877 0.000) 6.877 10.645 ( 0.000 -3.910 0.000) 3.910 10.717 ( 0.000 1.147 0.000) 1.147 10.761 ( 0.000 -0.261 0.000) 0.261 10.794 ( 0.000 -5.155 0.000) 5.155 10.937 ( 0.000 0.686 0.000) 0.686 11.059 ( 0.000 -4.327 0.000) 4.327 11.670 ( 0.000 21.772 0.000) 21.772 11.704 ( 0.000 21.763 0.000) 21.763 12.740 ( 0.000 25.805 0.000) 25.805 12.950 ( 0.000 -5.442 0.000) 5.442 13.498 ( 0.000 5.529 0.000) 5.529 14.157 ( 0.000 10.126 0.000) 10.126 14.560 ( 0.000 -3.062 0.000) 3.062 14.671 ( 0.000 -0.800 0.000) 0.800 14.875 ( 0.000 15.710 0.000) 15.710 15.226 ( 0.000 15.550 0.000) 15.550 15.629 ( 0.000 -7.617 0.000) 7.617 15.722 ( 0.000 -7.872 0.000) 7.872 15.814 ( 0.000 -2.080 0.000) 2.080 15.905 ( 0.000 2.668 0.000) 2.668 16.451 ( 0.000 -9.273 0.000) 9.273 16.575 ( 0.000 -7.946 0.000) 7.946 19.591 ( 0.000 6.964 0.000) 6.964 19.599 ( 0.000 7.297 0.000) 7.297 19.729 ( 0.000 3.692 0.000) 3.692 19.914 ( 0.000 0.438 0.000) 0.438 20.204 ( 0.000 -10.245 0.000) 10.245 20.246 ( 0.000 -10.359 0.000) 10.359 20.483 ( 0.000 -1.671 0.000) 1.671 20.553 ( 0.000 -2.451 0.000) 2.451 20.834 ( 0.000 6.996 0.000) 6.996 21.308 ( 0.000 -7.660 0.000) 7.660 21.330 ( 0.000 2.272 0.000) 2.272 21.522 ( 0.000 -4.519 0.000) 4.519 21.644 ( 0.000 6.942 0.000) 6.942 21.678 ( 0.000 3.582 0.000) 3.582 21.927 ( 0.000 -2.635 0.000) 2.635 21.942 ( 0.000 3.522 0.000) 3.522 22.019 ( 0.000 3.307 0.000) 3.307 22.067 ( 0.000 -4.875 0.000) 4.875 22.138 ( 0.000 0.119 0.000) 0.119 22.213 ( 0.000 -0.550 0.000) 0.550 22.320 ( 0.000 0.946 0.000) 0.946 22.425 ( 0.000 4.752 0.000) 4.752 22.442 ( 0.000 -5.780 0.000) 5.780 22.627 ( 0.000 -1.838 0.000) 1.838 22.639 ( 0.000 0.834 0.000) 0.834 22.698 ( 0.000 -2.391 0.000) 2.391 22.722 ( 0.000 -4.205 0.000) 4.205 22.761 ( 0.000 -2.300 0.000) 2.300 23.029 ( 0.000 2.450 0.000) 2.450 23.062 ( 0.000 2.374 0.000) 2.374 23.081 ( 0.000 0.886 0.000) 0.886 23.160 ( 0.000 -0.843 0.000) 0.843 23.197 ( 0.000 0.174 0.000) 0.174 23.260 ( 0.000 -2.025 0.000) 2.025 23.289 ( 0.000 -1.968 0.000) 1.968 23.416 ( 0.000 -7.408 0.000) 7.408 ======================= Grid point 11 (8/44) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 4.834 12.980 -3.107) 14.195 0.670 ( 0.244 15.517 -2.105) 15.661 0.999 ( -0.931 5.512 -3.307) 6.495 1.023 ( 0.433 13.728 1.745) 13.845 1.091 ( -4.930 6.271 1.980) 8.219 1.128 ( -4.269 -0.276 -0.778) 4.348 1.152 ( -6.237 3.682 1.056) 7.320 1.214 ( -2.505 1.587 -1.613) 3.376 1.233 ( 0.494 2.458 -4.588) 5.229 1.251 ( -4.152 2.482 0.165) 4.840 1.271 ( -1.909 1.644 -0.612) 2.593 1.320 ( 0.836 0.824 0.465) 1.263 1.349 ( 0.493 0.285 -0.052) 0.572 1.369 ( 1.833 -1.106 -0.882) 2.315 1.393 ( 2.237 0.945 0.079) 2.430 1.403 ( 1.832 1.597 2.213) 3.287 1.423 ( 0.032 -1.250 0.107) 1.255 1.448 ( -0.903 -0.161 -1.735) 1.962 1.459 ( -0.340 -0.737 0.130) 0.822 1.478 ( -0.138 -2.391 -0.791) 2.522 1.496 ( 0.619 -1.752 -0.549) 1.937 1.524 ( 0.226 0.381 -1.400) 1.469 1.525 ( -0.043 -2.668 -0.448) 2.706 1.568 ( 0.302 -1.591 0.784) 1.799 1.574 ( 1.761 0.823 -1.248) 2.309 1.585 ( 0.975 -3.385 0.763) 3.605 1.625 ( 1.992 0.100 0.961) 2.215 1.645 ( 3.268 -1.271 -2.311) 4.200 1.701 ( 0.158 0.753 -0.524) 0.931 1.720 ( -0.869 0.360 -1.890) 2.111 1.736 ( -0.916 -0.856 -1.999) 2.360 1.766 ( 0.384 3.642 -1.526) 3.967 1.828 ( -2.792 9.296 -0.743) 9.735 1.858 ( -0.866 -0.575 -4.931) 5.040 1.911 ( -2.468 2.576 -2.717) 4.484 1.967 ( 0.943 1.278 4.194) 4.485 2.053 ( -0.049 -1.659 0.092) 1.662 2.108 ( 2.807 -0.018 1.734) 3.299 2.128 ( -1.887 3.908 -1.690) 4.657 2.192 ( 2.761 -0.362 1.666) 3.245 2.230 ( 0.435 -3.937 1.668) 4.298 2.280 ( 2.017 -1.160 -0.645) 2.414 2.315 ( -0.035 0.285 2.917) 2.931 2.348 ( 3.717 1.264 -0.978) 4.046 2.370 ( 1.451 3.390 1.639) 4.036 2.377 ( 3.631 -1.351 2.270) 4.491 2.462 ( 3.892 1.924 -1.060) 4.469 2.526 ( -0.528 0.821 0.481) 1.088 2.570 ( 3.161 -0.788 4.402) 5.476 2.609 ( 3.518 0.344 1.329) 3.776 2.638 ( 1.074 -4.410 0.817) 4.612 2.705 ( 0.988 4.638 -5.642) 7.370 2.837 ( 0.087 1.929 3.857) 4.313 2.899 ( -5.399 0.486 -0.008) 5.421 2.975 ( -2.111 0.184 -1.806) 2.784 3.021 ( 3.021 -1.798 -7.845) 8.597 3.158 ( 6.328 2.193 0.449) 6.712 3.187 ( -4.328 0.644 -0.031) 4.376 3.326 ( -2.304 2.538 -4.139) 5.374 3.363 ( -1.105 0.373 3.622) 3.805 3.417 ( 1.144 3.839 -0.851) 4.096 3.500 ( -2.079 -2.803 -1.066) 3.649 3.544 ( 1.923 -1.675 -0.802) 2.673 3.609 ( 2.117 -1.232 1.608) 2.930 3.687 ( -5.358 -4.148 1.710) 6.989 3.739 ( 1.786 2.572 0.191) 3.137 3.784 ( -0.299 1.074 2.740) 2.958 3.850 ( 1.394 3.494 -1.206) 3.950 3.908 ( 0.366 0.857 4.038) 4.144 3.974 ( -1.589 -1.043 -3.378) 3.876 4.019 ( -5.346 -0.704 0.389) 5.406 4.099 ( -2.418 0.436 1.223) 2.745 4.135 ( -1.894 -0.168 0.823) 2.072 4.252 ( -0.325 -1.705 1.275) 2.154 4.264 ( -1.397 0.523 3.025) 3.373 4.322 ( 3.970 1.446 -3.500) 5.487 4.391 ( -0.289 -1.763 0.828) 1.969 4.412 ( 3.906 2.427 0.643) 4.643 4.486 ( 5.163 0.758 -1.359) 5.392 4.553 ( 4.990 3.897 -1.372) 6.479 4.594 ( 0.623 5.253 -3.628) 6.414 4.653 ( 4.596 6.004 0.649) 7.589 4.693 ( -0.525 -4.130 2.462) 4.836 4.745 ( 1.826 4.075 -0.196) 4.469 4.894 ( -0.135 0.651 1.155) 1.332 4.953 ( -1.674 -1.333 1.270) 2.488 4.992 ( 2.781 -7.294 -4.058) 8.798 5.030 ( -0.866 -1.257 2.756) 3.150 5.118 ( -0.904 -4.968 2.390) 5.586 5.219 ( 7.852 1.230 1.096) 8.023 5.258 ( -1.458 -3.155 -0.479) 3.509 5.313 ( 4.759 -1.411 0.348) 4.976 5.376 ( 1.177 1.796 -1.154) 2.438 5.409 ( 3.862 -1.922 -1.185) 4.474 5.483 ( 2.187 3.493 -2.690) 4.921 5.559 ( 3.658 1.307 -1.151) 4.052 5.603 ( -0.340 -2.173 0.789) 2.337 5.693 ( 2.488 1.618 -1.655) 3.398 5.701 ( 3.948 2.501 -0.457) 4.696 5.797 ( -0.279 -5.183 -1.451) 5.390 5.844 ( 2.542 -5.633 2.743) 6.761 5.870 ( 7.437 -1.747 -1.468) 7.780 5.969 ( 3.632 -8.890 0.407) 9.611 5.986 ( 2.538 -7.689 1.854) 8.307 6.103 ( -0.916 -9.555 -0.478) 9.611 6.187 ( 3.432 -6.700 1.800) 7.739 6.343 ( 2.172 -10.223 1.799) 10.604 6.440 ( -1.364 -8.328 -1.199) 8.524 6.982 ( -8.344 12.474 -0.682) 15.022 7.120 ( -7.979 3.191 1.647) 8.750 7.222 ( -0.344 2.681 -0.281) 2.717 7.294 ( -6.109 2.377 -1.811) 6.801 7.424 ( 8.555 13.397 0.635) 15.908 7.680 ( 3.884 6.202 -2.002) 7.586 7.789 ( 0.598 4.034 0.238) 4.085 7.859 ( 2.507 2.105 -1.381) 3.553 8.018 ( -1.937 3.737 -0.432) 4.232 8.119 ( 4.755 0.186 -1.036) 4.870 8.307 ( -1.440 -2.951 3.418) 4.740 8.392 ( -5.756 -5.205 -4.330) 8.887 8.820 ( -2.027 0.012 -0.898) 2.216 8.931 ( -0.637 -0.472 -1.074) 1.335 8.963 ( 0.377 -1.824 1.521) 2.405 8.968 ( 1.470 -0.574 -0.374) 1.622 9.091 ( 0.195 2.376 0.679) 2.478 9.158 ( 0.306 3.938 1.032) 4.083 9.262 ( -1.731 2.894 -0.157) 3.376 9.344 ( -0.313 -0.597 -0.863) 1.095 9.389 ( -0.904 -2.254 -2.039) 3.171 9.476 ( -0.821 0.701 -1.860) 2.151 9.546 ( -0.043 -1.438 1.386) 1.998 9.561 ( -1.512 -3.968 -1.081) 4.381 9.623 ( 0.091 -0.618 -0.687) 0.928 9.644 ( -1.824 -0.682 1.205) 2.290 9.686 ( 1.017 -0.779 2.127) 2.483 9.710 ( -1.307 0.004 2.159) 2.524 9.838 ( 1.378 -2.766 0.865) 3.209 9.905 ( 2.097 0.231 -0.308) 2.132 9.919 ( -0.603 1.720 -2.016) 2.718 9.952 ( -0.758 -1.076 -0.156) 1.325 9.998 ( -0.238 -1.202 1.393) 1.856 10.015 ( 0.472 1.006 0.916) 1.440 10.047 ( -1.057 -2.020 -1.069) 2.518 10.174 ( -0.465 -1.512 -0.392) 1.630 10.349 ( -0.972 4.026 -0.965) 4.252 10.469 ( 3.483 5.425 0.187) 6.450 10.638 ( -2.342 -3.584 2.107) 4.772 10.720 ( 0.843 1.363 -0.294) 1.629 10.773 ( 0.946 -1.847 -0.188) 2.084 10.788 ( -0.129 -3.293 0.082) 3.296 10.947 ( 0.206 0.080 1.234) 1.254 11.034 ( -2.592 -3.545 -0.897) 4.482 11.694 ( 3.673 18.485 -0.683) 18.859 11.724 ( 3.420 15.946 0.543) 16.318 12.711 ( -6.849 12.636 1.608) 14.462 12.844 ( -12.038 -9.845 -1.040) 15.586 13.449 ( -3.734 17.725 -0.437) 18.119 13.994 ( -11.798 21.522 -1.497) 24.590 14.390 ( -10.435 11.475 -6.514) 16.822 14.715 ( -1.837 2.737 -4.389) 5.489 15.012 ( 14.885 8.859 -1.084) 17.356 15.201 ( 7.702 11.721 -8.488) 16.394 15.541 ( -8.158 -7.274 0.424) 10.938 15.638 ( -7.211 -4.297 -1.834) 8.592 15.919 ( 10.143 -1.441 -0.739) 10.272 16.010 ( 9.424 -1.290 0.639) 9.533 16.445 ( -0.531 -8.667 -0.238) 8.687 16.576 ( -0.656 -7.625 0.593) 7.676 19.617 ( 0.977 3.875 3.122) 5.071 19.696 ( 2.226 0.233 12.319) 12.520 19.808 ( 3.795 4.022 7.836) 9.590 19.884 ( -1.821 -0.748 -1.599) 2.536 20.173 ( -2.132 -9.007 -4.394) 10.246 20.205 ( -0.762 -9.069 -5.144) 10.454 20.490 ( -0.668 -0.829 1.469) 1.814 20.566 ( 0.450 -1.720 0.854) 1.973 20.921 ( 2.203 5.269 12.241) 13.507 21.303 ( -0.497 -4.320 -1.318) 4.544 21.350 ( 1.383 1.955 1.180) 2.670 21.520 ( -0.439 -1.864 -0.522) 1.985 21.658 ( 0.178 5.435 2.127) 5.839 21.683 ( 0.761 -0.007 1.873) 2.022 21.897 ( -1.067 -2.291 -3.791) 4.556 21.943 ( 0.666 3.282 -0.707) 3.423 22.001 ( -1.411 -2.086 -3.831) 4.584 22.035 ( -1.077 0.273 -0.259) 1.141 22.137 ( -2.202 1.241 1.471) 2.925 22.221 ( 0.795 -0.760 -0.230) 1.124 22.338 ( 2.427 0.268 -3.803) 4.520 22.361 ( -1.488 -4.453 -2.133) 5.157 22.445 ( 0.380 3.846 -0.526) 3.901 22.592 ( -1.460 -3.202 0.836) 3.617 22.675 ( -0.303 -3.138 -3.059) 4.393 22.693 ( -0.650 -3.830 -2.538) 4.641 22.738 ( 2.373 -0.671 4.278) 4.938 22.745 ( -1.120 -1.833 -0.955) 2.351 23.030 ( -0.440 1.945 0.661) 2.101 23.059 ( -0.351 1.655 -0.180) 1.701 23.086 ( 0.470 1.629 0.494) 1.766 23.112 ( -1.887 1.198 -0.487) 2.287 23.231 ( -0.130 -2.072 1.928) 2.834 23.286 ( 0.412 -1.785 1.029) 2.101 23.316 ( 2.238 -2.064 3.431) 4.587 23.416 ( -0.371 -5.872 0.504) 5.905 ======================= Grid point 12 (9/44) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -3.617 11.239 1.042) 11.853 0.647 ( 3.667 7.858 -3.484) 9.345 0.911 ( -0.719 5.316 -3.644) 6.485 0.958 ( -3.708 4.335 -1.302) 5.851 1.011 ( -5.684 5.238 -4.389) 8.889 1.075 ( -1.579 8.317 5.391) 10.036 1.141 ( -1.819 4.086 -3.293) 5.554 1.167 ( -1.866 2.493 -1.828) 3.611 1.223 ( 0.568 0.800 1.654) 1.923 1.238 ( 0.429 -0.612 -0.249) 0.788 1.316 ( 3.467 5.502 4.042) 7.657 1.336 ( 0.590 -0.840 2.026) 2.272 1.353 ( 1.984 3.050 -0.453) 3.667 1.385 ( -1.401 0.162 -0.773) 1.608 1.392 ( 0.764 -0.053 -1.405) 1.600 1.418 ( 2.270 -0.633 0.947) 2.539 1.426 ( 1.102 0.375 0.426) 1.240 1.464 ( 0.884 -0.598 -0.051) 1.069 1.470 ( 1.871 0.110 0.375) 1.912 1.491 ( 1.449 -1.746 -0.209) 2.279 1.504 ( -0.069 0.314 -2.879) 2.897 1.514 ( 0.079 -0.324 -0.406) 0.525 1.519 ( -0.367 -1.679 0.480) 1.785 1.546 ( -2.135 -1.613 -0.626) 2.748 1.580 ( -1.018 -2.392 -0.512) 2.649 1.586 ( -1.238 -1.180 0.082) 1.712 1.642 ( 1.809 2.213 -0.751) 2.955 1.650 ( -1.041 2.384 -0.689) 2.691 1.692 ( -0.781 -1.481 0.357) 1.712 1.701 ( 2.316 -0.510 -1.961) 3.077 1.717 ( -0.027 1.617 0.512) 1.696 1.748 ( 0.311 2.039 -3.100) 3.723 1.766 ( -2.687 -0.877 -2.198) 3.580 1.877 ( -0.564 3.075 0.684) 3.200 1.894 ( 3.273 5.274 -1.035) 6.293 2.029 ( 1.669 1.299 -0.600) 2.199 2.035 ( 0.692 2.800 3.449) 4.496 2.117 ( -1.285 4.073 1.092) 4.409 2.135 ( -0.262 1.076 0.109) 1.113 2.224 ( 0.568 2.889 1.263) 3.204 2.234 ( 0.592 -2.346 -0.441) 2.459 2.287 ( -1.537 3.223 0.096) 3.572 2.350 ( 0.872 -0.023 2.385) 2.539 2.368 ( 0.348 1.903 -2.028) 2.803 2.403 ( 1.302 3.542 0.042) 3.774 2.429 ( 1.753 1.057 -2.067) 2.909 2.525 ( 4.183 -0.175 -0.685) 4.242 2.543 ( -0.146 1.520 4.133) 4.406 2.632 ( 2.803 -0.443 0.552) 2.891 2.652 ( 1.778 -0.964 -1.584) 2.569 2.678 ( 2.269 -0.513 0.913) 2.500 2.721 ( -0.268 1.686 2.058) 2.674 2.773 ( -5.733 3.452 -0.748) 6.734 2.852 ( -3.387 0.346 0.841) 3.507 2.972 ( 4.661 0.274 -0.749) 4.728 3.037 ( 2.007 -4.072 -1.119) 4.676 3.101 ( -2.905 -0.086 -0.309) 2.923 3.197 ( -0.552 -3.219 -4.449) 5.520 3.278 ( -1.105 -2.659 1.167) 3.107 3.331 ( -2.894 -0.866 -1.121) 3.222 3.448 ( 0.536 0.389 0.799) 1.038 3.471 ( 0.319 -1.623 -1.395) 2.164 3.568 ( 4.005 -1.093 -1.688) 4.482 3.621 ( -3.544 -4.039 2.532) 5.940 3.641 ( -0.925 -1.488 1.975) 2.640 3.718 ( -1.775 0.268 -0.054) 1.796 3.824 ( 0.199 2.762 -0.981) 2.938 3.870 ( 2.291 1.140 -1.442) 2.937 3.885 ( -2.492 -3.350 -0.625) 4.222 3.941 ( 0.508 0.351 1.310) 1.448 4.004 ( -2.601 0.103 0.952) 2.771 4.077 ( 0.873 0.326 3.460) 3.583 4.129 ( -0.961 1.207 -0.449) 1.607 4.239 ( -0.572 0.531 -2.390) 2.514 4.288 ( 2.007 -1.137 2.142) 3.148 4.339 ( -2.097 0.139 1.551) 2.612 4.415 ( 2.608 2.673 -0.152) 3.737 4.459 ( -0.278 3.027 -0.792) 3.141 4.535 ( -1.257 6.164 -0.271) 6.297 4.558 ( 5.056 0.055 -2.743) 5.753 4.599 ( 3.161 -0.769 -2.800) 4.292 4.694 ( 0.573 -0.258 0.751) 0.979 4.772 ( 2.000 2.264 5.427) 6.211 4.830 ( 6.723 2.073 2.603) 7.502 4.862 ( -3.700 -0.638 -3.557) 5.171 4.935 ( -1.929 -0.665 3.394) 3.961 4.991 ( 2.745 -3.972 -5.197) 7.094 5.021 ( -4.016 1.477 2.229) 4.825 5.133 ( -2.309 -1.283 3.054) 4.038 5.179 ( -0.953 -0.246 -3.984) 4.104 5.309 ( 1.239 2.302 2.500) 3.617 5.340 ( 0.293 1.744 0.166) 1.777 5.429 ( 1.301 0.515 -1.076) 1.765 5.462 ( 2.542 -0.126 0.167) 2.551 5.483 ( 3.128 0.573 -2.951) 4.339 5.588 ( 1.266 2.864 -0.195) 3.138 5.616 ( 0.266 2.727 0.568) 2.799 5.705 ( -0.134 -0.861 -0.736) 1.140 5.724 ( 0.853 -0.072 -1.939) 2.119 5.809 ( 1.450 -1.635 -0.587) 2.262 5.909 ( 2.299 -6.007 3.168) 7.170 6.035 ( 6.667 -3.556 -0.940) 7.614 6.040 ( -2.431 -7.049 -1.612) 7.629 6.065 ( 10.708 -4.431 0.682) 11.608 6.149 ( 10.028 -7.936 2.182) 12.973 6.248 ( 2.996 -6.093 1.068) 6.873 6.341 ( -5.323 -4.927 0.427) 7.266 6.395 ( -5.353 -4.863 -0.324) 7.239 6.887 ( -2.505 5.252 0.212) 5.823 6.985 ( -6.269 5.874 0.027) 8.591 7.178 ( -2.817 -0.751 -1.277) 3.182 7.221 ( -1.434 -2.152 -0.292) 2.602 7.583 ( 7.307 9.722 0.431) 12.169 7.752 ( 4.875 8.052 0.941) 9.460 7.806 ( 0.571 5.105 0.492) 5.160 7.839 ( -2.412 4.242 -0.849) 4.953 7.992 ( 0.508 2.132 -0.160) 2.198 8.209 ( 5.387 -4.481 -2.459) 7.427 8.228 ( -4.877 -3.246 -5.019) 7.714 8.293 ( -5.330 -5.456 4.130) 8.674 8.788 ( -0.945 -0.281 -0.267) 1.022 8.911 ( -0.625 0.252 -0.340) 0.754 8.975 ( 0.078 -2.851 0.712) 2.940 8.998 ( 2.072 -1.584 -0.523) 2.660 9.088 ( -0.780 3.041 -0.214) 3.147 9.185 ( 0.690 2.835 2.372) 3.760 9.251 ( -0.042 3.763 0.414) 3.786 9.297 ( -1.567 -0.177 -2.819) 3.230 9.356 ( -1.007 -0.339 -0.910) 1.399 9.467 ( 1.126 0.899 -0.143) 1.448 9.529 ( -3.926 0.864 -0.126) 4.022 9.556 ( -0.210 -4.927 0.744) 4.987 9.586 ( 1.053 -1.892 -0.939) 2.360 9.665 ( 0.157 -0.273 2.212) 2.234 9.703 ( -0.244 -0.951 -0.424) 1.070 9.721 ( 0.116 0.192 1.103) 1.126 9.858 ( 0.181 0.368 0.223) 0.467 9.908 ( 0.735 1.518 -0.103) 1.690 9.928 ( 1.611 -0.791 -1.036) 2.072 9.940 ( -0.844 -1.697 0.275) 1.916 10.003 ( -1.865 -5.031 -0.726) 5.415 10.006 ( -0.034 -2.056 0.311) 2.080 10.020 ( -0.367 1.705 -0.010) 1.745 10.177 ( 0.333 -1.455 0.317) 1.526 10.334 ( -0.067 3.918 -0.369) 3.936 10.520 ( 2.309 4.122 -0.258) 4.732 10.618 ( -2.023 -3.500 1.500) 4.312 10.731 ( 0.440 1.651 -0.038) 1.709 10.762 ( -0.617 -3.103 -0.310) 3.179 10.821 ( 2.259 -2.872 0.622) 3.706 10.957 ( -0.469 -0.512 0.182) 0.718 10.976 ( -2.281 -1.287 -0.538) 2.674 11.780 ( 6.273 11.208 -0.265) 12.847 11.816 ( 5.560 7.450 0.132) 9.297 12.536 ( -12.152 -7.148 0.595) 14.111 12.624 ( -10.769 -14.927 -0.245) 18.408 13.433 ( 1.269 40.529 -0.009) 40.549 13.862 ( -3.174 31.562 -1.059) 31.739 14.209 ( -4.536 21.522 -3.632) 22.293 14.595 ( -3.066 16.535 -3.947) 17.274 15.229 ( 10.072 3.433 0.293) 10.645 15.274 ( 6.100 1.745 -2.818) 6.942 15.429 ( -5.836 -7.094 0.374) 9.193 15.508 ( -5.585 -2.999 -1.606) 6.540 16.045 ( 4.658 -0.309 -0.036) 4.668 16.144 ( 5.390 -3.637 0.238) 6.506 16.433 ( -0.543 -7.093 -0.036) 7.114 16.564 ( -1.008 -7.631 0.243) 7.701 19.684 ( 1.829 -0.645 4.862) 5.235 19.791 ( -2.362 -1.275 -1.738) 3.198 19.870 ( 2.851 -6.136 8.498) 10.862 19.972 ( 3.974 -1.659 4.002) 5.879 20.069 ( -3.723 -5.339 -2.198) 6.870 20.135 ( -0.985 -4.585 -6.541) 8.049 20.482 ( -0.793 1.958 -0.126) 2.116 20.575 ( 0.109 -0.645 0.140) 0.669 21.093 ( 1.673 2.973 14.484) 14.880 21.238 ( -1.283 0.481 -9.215) 9.317 21.395 ( 1.435 3.939 2.955) 5.129 21.484 ( -1.459 1.486 -3.091) 3.727 21.705 ( 1.472 0.639 4.379) 4.663 21.748 ( 1.378 -3.083 6.205) 7.064 21.832 ( -1.157 -2.961 -5.744) 6.565 21.894 ( -1.760 -4.011 -6.164) 7.562 21.968 ( 0.504 1.041 0.522) 1.269 22.037 ( -0.210 3.220 0.634) 3.288 22.096 ( -2.139 3.146 -0.501) 3.837 22.228 ( 0.241 -1.052 0.021) 1.079 22.283 ( 0.122 -5.810 -3.875) 6.985 22.406 ( 0.895 0.756 2.459) 2.724 22.454 ( 2.473 2.356 -0.689) 3.485 22.565 ( -3.513 -3.158 0.625) 4.765 22.637 ( -0.000 -4.762 -2.830) 5.540 22.658 ( -0.604 -3.300 -1.333) 3.609 22.714 ( -0.242 -2.830 -0.719) 2.930 22.800 ( 0.787 -0.512 1.612) 1.866 23.030 ( -0.348 1.245 0.758) 1.499 23.049 ( -0.238 1.390 -0.725) 1.585 23.098 ( 0.164 3.041 0.339) 3.064 23.101 ( 0.086 0.875 0.333) 0.941 23.241 ( -0.613 -2.076 1.488) 2.627 23.295 ( 0.258 -1.209 0.020) 1.236 23.375 ( 1.022 -2.521 1.913) 3.326 23.415 ( -0.207 -3.836 0.256) 3.850 ======================= Grid point 15 (10/44) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 13.330 0.000) 13.330 0.985 ( 0.000 14.139 0.000) 14.139 1.045 ( 0.000 -9.201 0.000) 9.201 1.127 ( 0.000 5.375 0.000) 5.375 1.182 ( 0.000 2.655 0.000) 2.655 1.188 ( 0.000 -4.998 0.000) 4.998 1.219 ( 0.000 -0.628 0.000) 0.628 1.245 ( 0.000 -1.682 0.000) 1.682 1.293 ( 0.000 0.409 0.000) 0.409 1.295 ( 0.000 -0.819 0.000) 0.819 1.323 ( 0.000 0.370 0.000) 0.370 1.331 ( 0.000 -0.028 0.000) 0.028 1.347 ( 0.000 0.863 0.000) 0.863 1.351 ( 0.000 -0.638 0.000) 0.638 1.366 ( 0.000 -0.820 0.000) 0.820 1.386 ( 0.000 -0.069 0.000) 0.069 1.451 ( 0.000 -1.066 0.000) 1.066 1.452 ( 0.000 1.764 0.000) 1.764 1.466 ( 0.000 3.106 0.000) 3.106 1.469 ( 0.000 1.159 0.000) 1.159 1.489 ( 0.000 0.152 0.000) 0.152 1.499 ( 0.000 -0.113 0.000) 0.113 1.506 ( 0.000 -1.008 0.000) 1.008 1.510 ( 0.000 -0.257 0.000) 0.257 1.551 ( 0.000 0.795 0.000) 0.795 1.580 ( 0.000 -2.485 0.000) 2.485 1.588 ( 0.000 0.773 0.000) 0.773 1.615 ( 0.000 0.439 0.000) 0.439 1.764 ( 0.000 -0.045 0.000) 0.045 1.767 ( 0.000 0.570 0.000) 0.570 1.773 ( 0.000 6.172 0.000) 6.172 1.855 ( 0.000 -0.262 0.000) 0.262 1.889 ( 0.000 -2.624 0.000) 2.624 1.900 ( 0.000 -3.969 0.000) 3.969 1.987 ( 0.000 0.472 0.000) 0.472 2.006 ( 0.000 -1.119 0.000) 1.119 2.013 ( 0.000 2.923 0.000) 2.923 2.086 ( 0.000 -2.283 0.000) 2.283 2.112 ( 0.000 7.661 0.000) 7.661 2.188 ( 0.000 1.952 0.000) 1.952 2.202 ( 0.000 -3.016 0.000) 3.016 2.224 ( 0.000 -1.246 0.000) 1.246 2.293 ( 0.000 2.108 0.000) 2.108 2.295 ( 0.000 0.774 0.000) 0.774 2.329 ( 0.000 3.124 0.000) 3.124 2.395 ( 0.000 -2.195 0.000) 2.195 2.483 ( 0.000 1.446 0.000) 1.446 2.519 ( 0.000 -2.813 0.000) 2.813 2.535 ( 0.000 4.857 0.000) 4.857 2.594 ( 0.000 -0.717 0.000) 0.717 2.661 ( 0.000 9.805 0.000) 9.805 2.817 ( 0.000 1.166 0.000) 1.166 2.827 ( 0.000 0.960 0.000) 0.960 2.866 ( 0.000 -8.622 0.000) 8.622 2.973 ( 0.000 -0.236 0.000) 0.236 3.016 ( 0.000 -2.808 0.000) 2.808 3.179 ( 0.000 2.681 0.000) 2.681 3.206 ( 0.000 -0.711 0.000) 0.711 3.382 ( 0.000 0.910 0.000) 0.910 3.413 ( 0.000 -3.128 0.000) 3.128 3.460 ( 0.000 2.522 0.000) 2.522 3.500 ( 0.000 -0.971 0.000) 0.971 3.549 ( 0.000 4.458 0.000) 4.458 3.636 ( 0.000 -4.185 0.000) 4.185 3.665 ( 0.000 10.893 0.000) 10.893 3.800 ( 0.000 3.483 0.000) 3.483 3.805 ( 0.000 2.636 0.000) 2.636 3.892 ( 0.000 -6.974 0.000) 6.974 3.934 ( 0.000 -3.355 0.000) 3.355 3.967 ( 0.000 2.376 0.000) 2.376 3.996 ( 0.000 0.073 0.000) 0.073 4.076 ( 0.000 -5.303 0.000) 5.303 4.188 ( 0.000 4.199 0.000) 4.199 4.200 ( 0.000 0.355 0.000) 0.355 4.290 ( 0.000 -1.365 0.000) 1.365 4.297 ( 0.000 -2.470 0.000) 2.470 4.318 ( 0.000 1.666 0.000) 1.666 4.372 ( 0.000 -4.327 0.000) 4.327 4.481 ( 0.000 5.363 0.000) 5.363 4.587 ( 0.000 -4.696 0.000) 4.696 4.626 ( 0.000 4.528 0.000) 4.528 4.688 ( 0.000 8.881 0.000) 8.881 4.746 ( 0.000 4.561 0.000) 4.561 4.746 ( 0.000 -9.346 0.000) 9.346 4.848 ( 0.000 -5.659 0.000) 5.659 4.869 ( 0.000 7.571 0.000) 7.571 4.895 ( 0.000 -10.725 0.000) 10.725 5.006 ( 0.000 -5.880 0.000) 5.880 5.037 ( 0.000 6.080 0.000) 6.080 5.119 ( 0.000 -0.731 0.000) 0.731 5.129 ( 0.000 -5.657 0.000) 5.657 5.222 ( 0.000 -9.360 0.000) 9.360 5.298 ( 0.000 9.214 0.000) 9.214 5.460 ( 0.000 5.761 0.000) 5.761 5.477 ( 0.000 -7.796 0.000) 7.796 5.525 ( 0.000 4.449 0.000) 4.449 5.617 ( 0.000 3.860 0.000) 3.860 5.625 ( 0.000 -11.053 0.000) 11.053 5.654 ( 0.000 -7.797 0.000) 7.797 5.708 ( 0.000 -5.804 0.000) 5.804 5.735 ( 0.000 4.449 0.000) 4.449 5.826 ( 0.000 8.763 0.000) 8.763 5.862 ( 0.000 -9.286 0.000) 9.286 5.916 ( 0.000 7.874 0.000) 7.874 5.997 ( 0.000 -8.191 0.000) 8.191 6.100 ( 0.000 -10.205 0.000) 10.205 6.103 ( 0.000 7.845 0.000) 7.845 6.287 ( 0.000 -9.823 0.000) 9.823 7.187 ( 0.000 1.500 0.000) 1.500 7.194 ( 0.000 0.960 0.000) 0.960 7.343 ( 0.000 5.868 0.000) 5.868 7.409 ( 0.000 -0.828 0.000) 0.828 7.648 ( 0.000 13.305 0.000) 13.305 7.750 ( 0.000 3.630 0.000) 3.630 7.798 ( 0.000 -1.424 0.000) 1.424 7.815 ( 0.000 -3.584 0.000) 3.584 8.127 ( 0.000 5.805 0.000) 5.805 8.228 ( 0.000 6.690 0.000) 6.690 8.232 ( 0.000 -4.477 0.000) 4.477 8.347 ( 0.000 -5.591 0.000) 5.591 8.855 ( 0.000 1.170 0.000) 1.170 8.895 ( 0.000 -2.604 0.000) 2.604 8.951 ( 0.000 0.090 0.000) 0.090 8.952 ( 0.000 -0.102 0.000) 0.102 9.150 ( 0.000 4.524 0.000) 4.524 9.248 ( 0.000 -5.292 0.000) 5.292 9.257 ( 0.000 6.786 0.000) 6.786 9.355 ( 0.000 2.649 0.000) 2.649 9.380 ( 0.000 -1.267 0.000) 1.267 9.420 ( 0.000 -7.835 0.000) 7.835 9.555 ( 0.000 0.456 0.000) 0.456 9.560 ( 0.000 -0.148 0.000) 0.148 9.589 ( 0.000 -0.511 0.000) 0.511 9.594 ( 0.000 -0.620 0.000) 0.620 9.648 ( 0.000 0.469 0.000) 0.469 9.703 ( 0.000 -5.096 0.000) 5.096 9.800 ( 0.000 4.775 0.000) 4.775 9.888 ( 0.000 -3.893 0.000) 3.893 9.936 ( 0.000 2.115 0.000) 2.115 9.966 ( 0.000 -1.049 0.000) 1.049 10.008 ( 0.000 1.456 0.000) 1.456 10.033 ( 0.000 -1.146 0.000) 1.146 10.063 ( 0.000 4.046 0.000) 4.046 10.138 ( 0.000 -3.340 0.000) 3.340 10.442 ( 0.000 4.955 0.000) 4.955 10.549 ( 0.000 -5.591 0.000) 5.591 10.564 ( 0.000 6.407 0.000) 6.407 10.682 ( 0.000 -5.564 0.000) 5.564 10.743 ( 0.000 0.671 0.000) 0.671 10.754 ( 0.000 -0.409 0.000) 0.409 10.953 ( 0.000 1.085 0.000) 1.085 10.988 ( 0.000 -2.688 0.000) 2.688 12.155 ( 0.000 26.695 0.000) 26.695 12.181 ( 0.000 25.940 0.000) 25.940 12.651 ( 0.000 -21.957 0.000) 21.957 12.673 ( 0.000 -22.159 0.000) 22.159 14.012 ( 0.000 32.793 0.000) 32.793 14.430 ( 0.000 14.212 0.000) 14.212 14.446 ( 0.000 -11.229 0.000) 11.229 14.624 ( 0.000 -5.241 0.000) 5.241 15.153 ( 0.000 12.648 0.000) 12.648 15.419 ( 0.000 -14.101 0.000) 14.101 15.436 ( 0.000 5.145 0.000) 5.145 15.542 ( 0.000 -7.746 0.000) 7.746 15.917 ( 0.000 13.198 0.000) 13.198 16.061 ( 0.000 13.285 0.000) 13.285 16.214 ( 0.000 -14.692 0.000) 14.692 16.353 ( 0.000 -14.361 0.000) 14.361 19.733 ( 0.000 6.717 0.000) 6.717 19.775 ( 0.000 10.257 0.000) 10.257 19.786 ( 0.000 1.352 0.000) 1.352 19.927 ( 0.000 1.743 0.000) 1.743 19.989 ( 0.000 -11.307 0.000) 11.307 20.041 ( 0.000 -9.623 0.000) 9.623 20.475 ( 0.000 0.735 0.000) 0.735 20.506 ( 0.000 -2.218 0.000) 2.218 20.981 ( 0.000 8.043 0.000) 8.043 21.145 ( 0.000 -8.631 0.000) 8.631 21.380 ( 0.000 2.798 0.000) 2.798 21.442 ( 0.000 -3.606 0.000) 3.606 21.740 ( 0.000 4.890 0.000) 4.890 21.816 ( 0.000 7.910 0.000) 7.910 21.844 ( 0.000 -5.307 0.000) 5.307 21.957 ( 0.000 -6.406 0.000) 6.406 22.032 ( 0.000 5.495 0.000) 5.495 22.088 ( 0.000 3.526 0.000) 3.526 22.120 ( 0.000 -2.229 0.000) 2.229 22.163 ( 0.000 -4.431 0.000) 4.431 22.338 ( 0.000 0.952 0.000) 0.952 22.364 ( 0.000 -2.117 0.000) 2.117 22.520 ( 0.000 4.668 0.000) 4.668 22.591 ( 0.000 -2.139 0.000) 2.139 22.645 ( 0.000 -2.110 0.000) 2.110 22.645 ( 0.000 -1.297 0.000) 1.297 22.675 ( 0.000 0.862 0.000) 0.862 22.713 ( 0.000 -2.423 0.000) 2.423 23.070 ( 0.000 1.506 0.000) 1.506 23.084 ( 0.000 0.076 0.000) 0.076 23.113 ( 0.000 1.880 0.000) 1.880 23.141 ( 0.000 -1.091 0.000) 1.091 23.211 ( 0.000 1.302 0.000) 1.302 23.237 ( 0.000 -0.316 0.000) 0.316 23.251 ( 0.000 -1.363 0.000) 1.363 23.292 ( 0.000 -4.743 0.000) 4.743 ======================= Grid point 16 (11/44) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.997 10.547 -2.537) 10.893 0.935 ( -2.405 7.125 -5.744) 9.463 1.026 ( -0.271 0.171 -2.131) 2.155 1.107 ( -0.664 3.812 -2.559) 4.639 1.144 ( -3.078 -2.423 -2.092) 4.441 1.188 ( -2.074 2.719 1.173) 3.615 1.218 ( -0.267 -1.269 -1.179) 1.753 1.229 ( -0.991 -1.107 -0.230) 1.504 1.265 ( -3.511 0.987 -2.626) 4.494 1.287 ( -1.149 1.370 -0.762) 1.944 1.313 ( -1.574 0.476 0.336) 1.678 1.324 ( -0.788 -1.403 1.766) 2.389 1.349 ( 2.288 0.608 1.284) 2.694 1.355 ( 0.910 -2.663 -0.677) 2.895 1.381 ( 0.403 -0.910 -0.417) 1.078 1.399 ( 1.897 -0.114 0.282) 1.922 1.441 ( -2.258 1.646 0.728) 2.887 1.447 ( 0.003 0.779 -0.465) 0.908 1.461 ( -0.404 0.144 -1.818) 1.868 1.468 ( 0.611 1.832 0.191) 1.941 1.493 ( -0.098 -0.200 0.345) 0.411 1.506 ( 2.070 1.413 -1.197) 2.777 1.515 ( 0.191 -1.822 0.291) 1.855 1.528 ( 1.541 -1.176 -0.451) 1.991 1.549 ( 0.088 1.388 -1.723) 2.215 1.579 ( 0.769 -0.855 -2.355) 2.621 1.624 ( 3.861 1.219 2.096) 4.559 1.640 ( 2.996 0.737 -0.336) 3.103 1.688 ( -1.258 -1.052 -3.472) 3.840 1.712 ( -0.774 -1.499 -2.963) 3.409 1.761 ( 0.523 1.789 -2.623) 3.217 1.801 ( -1.764 -1.500 -5.481) 5.950 1.854 ( -1.907 6.682 -1.600) 7.131 1.967 ( -0.697 2.298 2.830) 3.711 2.019 ( 0.561 1.153 2.484) 2.795 2.045 ( 0.688 -1.734 2.488) 3.109 2.073 ( -1.065 2.594 1.414) 3.141 2.080 ( 1.368 5.060 5.358) 7.496 2.129 ( 1.272 -2.235 1.881) 3.186 2.164 ( 2.717 -2.985 6.163) 7.367 2.209 ( 0.328 0.868 -0.562) 1.085 2.260 ( 1.459 0.210 3.727) 4.008 2.270 ( 1.939 -0.248 0.614) 2.049 2.340 ( 4.577 -1.816 -0.509) 4.950 2.420 ( 2.427 3.153 0.916) 4.083 2.456 ( 3.079 1.031 -0.310) 3.262 2.484 ( 0.081 1.668 1.591) 2.306 2.542 ( 2.001 -2.368 2.982) 4.302 2.564 ( 1.725 2.485 3.181) 4.390 2.617 ( 2.870 -0.665 0.125) 2.948 2.672 ( 1.010 9.266 0.489) 9.334 2.795 ( 1.867 3.409 -4.953) 6.296 2.854 ( 1.094 -1.198 1.550) 2.244 2.856 ( -1.412 -5.220 0.254) 5.413 2.946 ( -0.876 -1.220 -2.477) 2.897 2.973 ( -0.281 -2.675 -7.436) 7.908 3.173 ( -1.531 -0.519 -1.812) 2.428 3.180 ( 0.345 -0.636 -3.034) 3.119 3.339 ( -4.628 0.932 -1.580) 4.979 3.401 ( -2.841 -4.220 0.449) 5.107 3.435 ( -1.217 4.268 -0.609) 4.480 3.474 ( -0.620 0.919 -1.362) 1.756 3.547 ( -1.448 0.269 -1.626) 2.194 3.603 ( -3.194 -4.408 -1.787) 5.729 3.664 ( -0.354 7.695 2.163) 8.001 3.785 ( -4.355 1.564 -0.299) 4.637 3.843 ( 1.635 2.496 4.020) 5.006 3.869 ( -1.140 -6.394 -0.664) 6.528 3.900 ( 0.712 0.897 0.080) 1.148 3.920 ( -2.552 -3.054 -3.678) 5.419 3.996 ( -0.369 2.449 1.425) 2.857 4.064 ( -2.410 -3.860 -0.690) 4.602 4.171 ( -1.356 3.465 1.785) 4.127 4.222 ( 0.127 -0.452 3.201) 3.235 4.275 ( -1.135 0.253 1.013) 1.542 4.311 ( -1.053 -3.358 1.266) 3.740 4.398 ( 5.788 2.670 1.645) 6.583 4.434 ( 5.026 -0.944 1.482) 5.324 4.514 ( 2.503 3.376 0.227) 4.208 4.595 ( -0.285 -3.473 0.608) 3.537 4.666 ( 2.589 5.974 0.947) 6.580 4.709 ( -1.183 5.262 -0.618) 5.428 4.758 ( 5.549 2.867 -0.672) 6.282 4.811 ( -0.577 -0.709 -0.433) 1.011 4.850 ( 6.358 -6.178 -2.696) 9.266 4.865 ( 4.649 -5.849 -2.144) 7.773 4.912 ( 1.387 2.909 -1.931) 3.757 4.998 ( 0.923 -3.478 0.891) 3.707 5.048 ( 2.285 1.900 -0.324) 2.990 5.158 ( 2.371 -6.249 -1.160) 6.784 5.229 ( 7.521 -1.352 2.331) 7.989 5.252 ( 5.611 -4.116 -0.250) 6.963 5.384 ( 7.229 2.644 0.088) 7.698 5.449 ( 1.164 0.592 -1.868) 2.279 5.489 ( 2.096 2.471 0.844) 3.348 5.560 ( 0.829 1.658 3.753) 4.186 5.620 ( 1.581 0.706 -1.239) 2.129 5.645 ( 0.572 -5.324 0.379) 5.368 5.682 ( 4.686 -6.727 -0.393) 8.207 5.713 ( 3.698 -5.438 -2.004) 6.875 5.796 ( 2.976 3.024 1.768) 4.596 5.849 ( 5.272 4.597 0.050) 6.995 5.887 ( 0.777 -4.569 3.077) 5.563 5.942 ( 4.285 4.575 -0.344) 6.278 5.986 ( -1.089 -3.448 -0.962) 3.742 6.101 ( 1.922 0.395 -0.749) 2.100 6.142 ( 2.203 -7.912 2.747) 8.660 6.261 ( -0.518 -9.482 -1.882) 9.681 7.143 ( -6.513 3.940 0.888) 7.664 7.162 ( -4.671 1.177 2.356) 5.362 7.282 ( -5.788 3.056 -2.053) 6.860 7.320 ( -8.393 -0.299 -2.250) 8.695 7.690 ( 4.453 11.257 -0.028) 12.106 7.784 ( 4.541 4.291 -0.002) 6.247 7.833 ( 2.739 -2.027 0.503) 3.445 7.836 ( 3.574 -2.191 -1.238) 4.372 8.119 ( -1.761 5.715 0.893) 6.046 8.181 ( -3.208 4.309 -0.751) 5.424 8.235 ( -1.917 -3.799 1.161) 4.411 8.294 ( -5.022 -4.955 -2.149) 7.375 8.838 ( -1.685 2.062 -0.091) 2.664 8.895 ( -0.740 -3.215 1.238) 3.524 8.946 ( -0.258 0.365 -0.815) 0.929 8.957 ( 0.900 -0.629 -0.677) 1.289 9.166 ( 1.233 4.797 0.949) 5.043 9.240 ( -0.150 1.559 -1.683) 2.299 9.274 ( 0.122 0.968 3.401) 3.538 9.346 ( 0.451 1.346 -1.699) 2.214 9.358 ( -2.255 -0.916 -2.458) 3.459 9.424 ( 1.150 -7.635 0.353) 7.730 9.510 ( -1.416 1.657 -2.123) 3.042 9.537 ( -0.313 -0.685 -1.244) 1.454 9.610 ( -1.718 -0.193 0.417) 1.779 9.629 ( 0.739 -1.188 2.669) 3.013 9.659 ( 1.688 -0.657 0.841) 1.997 9.684 ( -1.498 -2.743 0.189) 3.131 9.823 ( 1.372 2.512 1.642) 3.300 9.887 ( -0.106 -3.200 -0.108) 3.203 9.936 ( -0.263 1.970 0.128) 1.992 9.962 ( -0.442 -0.155 -0.633) 0.787 9.987 ( -2.022 0.653 0.306) 2.147 10.011 ( -2.436 -1.403 -0.842) 2.934 10.064 ( 0.245 3.027 0.373) 3.060 10.127 ( -0.375 -3.076 -0.134) 3.101 10.438 ( -0.541 5.063 -0.186) 5.095 10.537 ( -0.175 -3.762 -0.958) 3.886 10.589 ( 0.646 4.059 2.079) 4.606 10.688 ( 0.462 -4.938 0.124) 4.961 10.747 ( 0.514 0.987 0.128) 1.120 10.764 ( 0.991 -0.737 0.114) 1.240 10.953 ( -0.201 0.626 0.298) 0.722 10.977 ( -1.017 -2.030 -0.374) 2.302 12.103 ( -5.554 22.356 -0.023) 23.036 12.119 ( -5.981 22.766 -0.062) 23.539 12.528 ( -13.787 -19.796 0.282) 24.125 12.553 ( -13.252 -19.949 -0.273) 23.951 14.066 ( 5.275 31.786 1.311) 32.248 14.402 ( -2.634 15.486 1.470) 15.777 14.454 ( 2.226 -4.356 -2.989) 5.733 14.649 ( 1.931 -7.542 -0.532) 7.803 15.211 ( 5.140 9.788 1.380) 11.141 15.384 ( -2.111 -2.547 -2.811) 4.341 15.401 ( -1.525 0.072 -4.218) 4.486 15.512 ( -0.688 -7.925 -1.917) 8.183 15.978 ( 6.400 9.318 0.005) 11.304 16.098 ( 3.408 11.049 0.684) 11.583 16.227 ( 1.833 -13.154 -0.536) 13.292 16.366 ( 0.661 -13.488 0.404) 13.511 19.713 ( -1.099 5.497 -2.265) 6.046 19.755 ( 0.604 3.902 2.211) 4.526 19.844 ( -2.620 -1.837 -4.754) 5.730 19.872 ( 2.077 -0.182 3.368) 3.962 20.016 ( -0.939 -4.654 0.126) 4.749 20.050 ( 1.605 -5.990 1.921) 6.491 20.493 ( 0.338 1.128 2.528) 2.788 20.527 ( 0.716 -2.075 2.211) 3.115 21.042 ( 1.957 6.896 7.977) 10.724 21.182 ( 1.144 -7.122 4.276) 8.386 21.403 ( 1.281 3.064 2.505) 4.160 21.466 ( 1.270 -3.308 2.327) 4.239 21.725 ( -0.401 4.102 -2.257) 4.699 21.783 ( -1.046 5.977 -3.458) 6.984 21.822 ( -0.982 -4.360 -3.188) 5.490 21.907 ( -2.014 -5.625 -5.398) 8.052 22.029 ( 0.073 5.111 -0.992) 5.207 22.078 ( -1.026 1.412 1.099) 2.063 22.138 ( -0.828 -0.405 1.857) 2.073 22.174 ( 1.088 -4.529 0.041) 4.658 22.322 ( -1.281 1.417 -4.003) 4.435 22.347 ( 0.751 -0.450 0.489) 1.003 22.511 ( -0.375 2.149 -1.000) 2.400 22.542 ( -2.006 -1.674 -1.716) 3.126 22.610 ( -0.489 -1.935 -4.229) 4.677 22.626 ( 0.676 -2.695 -5.901) 6.523 22.725 ( -0.396 -0.026 1.744) 1.788 22.733 ( 1.215 -0.487 4.463) 4.651 23.062 ( -0.812 1.256 0.093) 1.498 23.076 ( -0.425 -0.072 -0.641) 0.772 23.115 ( -0.752 1.126 1.356) 1.916 23.125 ( -0.959 0.108 0.564) 1.118 23.215 ( 0.869 0.651 -0.150) 1.096 23.248 ( 1.330 -2.151 -0.653) 2.612 23.292 ( 1.569 -0.054 4.023) 4.319 23.322 ( 0.713 -3.247 3.055) 4.515 ======================= Grid point 17 (12/44) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -1.351 7.400 -1.393) 7.650 0.830 ( -2.306 6.266 -4.590) 8.102 0.999 ( -1.921 3.696 -0.684) 4.221 1.043 ( -0.880 2.272 -2.768) 3.688 1.105 ( -0.164 4.821 -0.829) 4.895 1.169 ( -1.115 1.348 0.714) 1.890 1.179 ( -0.960 -0.530 -1.850) 2.151 1.209 ( -0.898 -1.637 -0.429) 1.916 1.221 ( -1.250 0.902 0.003) 1.541 1.255 ( -1.262 4.806 -1.083) 5.085 1.278 ( -0.878 -3.097 0.080) 3.220 1.336 ( -0.680 -1.930 -0.050) 2.047 1.352 ( 0.913 -2.920 0.779) 3.157 1.370 ( -0.633 -2.150 -0.230) 2.253 1.392 ( -0.000 -0.714 1.300) 1.483 1.407 ( -0.817 -1.040 0.119) 1.328 1.435 ( 0.885 1.505 0.186) 1.755 1.447 ( 0.484 -0.466 -0.696) 0.968 1.459 ( 0.417 -0.762 -0.745) 1.145 1.474 ( -0.061 0.850 -1.990) 2.165 1.481 ( -1.637 -1.814 0.432) 2.481 1.506 ( 0.182 -0.533 0.990) 1.140 1.527 ( 1.467 0.134 -1.169) 1.880 1.535 ( -0.342 -0.646 0.555) 0.918 1.543 ( 1.306 0.786 -0.417) 1.580 1.567 ( 0.295 -1.232 -1.735) 2.148 1.662 ( 1.141 -0.443 -0.905) 1.523 1.667 ( 1.295 -1.120 -1.718) 2.425 1.716 ( 3.006 3.209 1.539) 4.659 1.720 ( 1.740 2.122 -0.067) 2.745 1.747 ( -0.862 -0.170 -1.958) 2.146 1.763 ( 0.995 0.268 -0.067) 1.033 1.844 ( 2.190 8.739 -1.149) 9.082 1.951 ( -4.108 1.752 -0.171) 4.469 1.993 ( 0.619 2.445 -0.131) 2.526 2.027 ( -1.181 -3.050 0.241) 3.280 2.133 ( 1.144 4.926 3.461) 6.128 2.169 ( 2.316 0.340 0.246) 2.354 2.194 ( 0.626 4.860 1.367) 5.088 2.207 ( 2.623 3.880 2.837) 5.475 2.285 ( 3.020 -0.361 1.355) 3.330 2.312 ( -0.974 -2.420 4.217) 4.958 2.323 ( 2.129 2.108 -0.008) 2.996 2.391 ( 1.375 -1.885 0.649) 2.422 2.418 ( -0.992 -1.152 -2.556) 2.974 2.435 ( 0.234 -0.541 0.405) 0.715 2.574 ( 3.922 3.401 2.996) 5.994 2.601 ( 1.572 2.282 1.936) 3.381 2.639 ( 2.385 0.668 3.331) 4.151 2.658 ( -0.967 1.150 3.227) 3.559 2.715 ( 5.416 6.132 -2.177) 8.467 2.788 ( -0.616 4.530 -1.492) 4.809 2.822 ( -2.937 -1.462 1.613) 3.656 2.848 ( -3.036 1.785 -4.523) 5.733 2.911 ( 3.214 -6.884 -2.022) 7.862 2.932 ( 2.814 -5.016 -3.264) 6.614 3.116 ( -2.852 1.069 -1.195) 3.272 3.150 ( -0.326 -2.158 -1.682) 2.756 3.236 ( -4.660 0.871 -1.503) 4.973 3.307 ( -5.836 -3.690 -1.701) 7.111 3.422 ( -0.871 -0.348 0.927) 1.319 3.442 ( -0.253 -1.138 -3.024) 3.241 3.524 ( 1.187 -1.301 -2.770) 3.283 3.552 ( -1.612 -3.084 1.882) 3.956 3.681 ( 0.689 3.793 0.898) 3.958 3.730 ( -2.862 -0.050 0.652) 2.936 3.815 ( -0.646 -1.536 -2.689) 3.164 3.826 ( -2.332 -2.324 -1.428) 3.589 3.931 ( 2.015 3.196 1.736) 4.158 3.952 ( 0.360 0.524 2.527) 2.606 4.003 ( -0.388 0.800 -0.430) 0.988 4.053 ( 1.541 -2.970 2.228) 4.020 4.173 ( -1.342 3.575 1.801) 4.221 4.240 ( -0.385 -1.016 0.040) 1.087 4.260 ( -0.169 -1.017 -0.238) 1.059 4.294 ( -2.395 -3.275 1.333) 4.271 4.470 ( 2.283 2.440 -0.233) 3.350 4.494 ( 0.215 0.473 1.027) 1.151 4.557 ( 2.643 0.779 -0.721) 2.848 4.583 ( -1.225 -0.854 0.488) 1.571 4.672 ( -0.161 5.649 -1.654) 5.888 4.720 ( 2.449 0.478 0.098) 2.497 4.803 ( 1.066 1.927 0.322) 2.226 4.810 ( -0.975 0.354 1.496) 1.820 4.879 ( 1.242 -1.822 -3.067) 3.777 4.899 ( 1.696 -3.479 -0.931) 3.981 4.966 ( 5.069 3.321 1.096) 6.158 5.054 ( -0.757 -0.250 0.907) 1.208 5.063 ( 1.037 -1.723 2.670) 3.342 5.144 ( -1.560 -3.879 -3.600) 5.517 5.340 ( 4.460 0.496 2.523) 5.148 5.352 ( 3.922 -0.874 0.867) 4.111 5.448 ( 1.642 0.606 -1.068) 2.051 5.464 ( 1.201 -0.788 -0.475) 1.513 5.500 ( -0.579 4.121 -1.723) 4.504 5.599 ( -0.059 -4.446 0.721) 4.505 5.662 ( 1.730 2.497 1.035) 3.209 5.679 ( 2.966 1.493 -0.072) 3.321 5.736 ( 1.493 -2.333 0.074) 2.771 5.749 ( 2.419 -1.181 -2.592) 3.737 5.825 ( -0.072 -2.628 1.637) 3.097 5.900 ( -1.174 -6.698 -2.014) 7.092 5.965 ( 5.028 1.232 0.673) 5.220 6.036 ( 7.474 -0.211 0.804) 7.520 6.074 ( 8.874 -0.419 1.392) 8.992 6.150 ( 4.011 0.276 0.086) 4.022 6.196 ( 1.288 -7.835 1.276) 8.042 6.266 ( 1.069 -7.376 -0.467) 7.468 7.036 ( -5.877 7.418 0.597) 9.483 7.096 ( -5.399 3.520 2.410) 6.881 7.163 ( -5.212 -1.337 -1.764) 5.663 7.168 ( -4.879 -2.817 -2.156) 6.033 7.756 ( 3.634 7.112 -0.703) 8.018 7.843 ( 0.623 -1.253 -1.288) 1.902 7.892 ( 5.316 3.917 1.866) 6.862 7.908 ( 3.683 2.868 1.144) 4.806 8.073 ( -2.724 5.099 -1.277) 5.920 8.157 ( -0.914 -0.397 -0.057) 0.998 8.165 ( -4.454 -3.462 -2.009) 5.988 8.201 ( -4.044 -3.966 1.232) 5.796 8.812 ( -1.043 3.041 -0.111) 3.216 8.896 ( -0.558 -4.617 0.899) 4.737 8.930 ( -0.279 1.299 -0.752) 1.526 8.964 ( 0.604 -1.896 -0.471) 2.045 9.187 ( 0.329 6.273 -0.503) 6.302 9.235 ( 0.689 1.955 1.913) 2.821 9.290 ( -2.199 -0.448 -2.967) 3.720 9.315 ( 0.752 -0.065 2.437) 2.551 9.338 ( 0.076 1.182 -1.214) 1.696 9.432 ( -0.103 -6.479 -0.269) 6.485 9.501 ( 2.228 2.547 -0.711) 3.458 9.546 ( 1.506 -1.471 0.071) 2.106 9.557 ( -3.599 1.082 -0.674) 3.818 9.626 ( -2.369 -4.659 0.978) 5.318 9.687 ( 0.845 -0.405 0.334) 0.995 9.692 ( 0.779 -1.178 0.636) 1.549 9.860 ( 0.986 0.430 1.297) 1.685 9.880 ( -0.440 -1.582 -0.293) 1.668 9.926 ( -0.039 0.818 -0.346) 0.889 9.950 ( -0.636 -0.370 -0.647) 0.980 9.953 ( -1.996 0.234 -0.245) 2.025 9.976 ( -0.535 -1.137 0.179) 1.269 10.072 ( 0.168 3.039 0.281) 3.057 10.132 ( 0.323 -2.885 0.413) 2.932 10.424 ( -0.535 5.091 -0.301) 5.127 10.526 ( -0.305 -4.995 -0.337) 5.016 10.611 ( 0.173 4.373 0.894) 4.467 10.694 ( 0.120 -3.909 0.078) 3.911 10.759 ( 0.542 1.179 0.072) 1.300 10.781 ( 0.724 -1.302 0.123) 1.495 10.953 ( -0.230 -0.054 0.035) 0.239 10.957 ( -0.687 -0.573 -0.152) 0.907 12.032 ( -2.117 13.705 0.042) 13.867 12.050 ( -1.771 15.153 -0.091) 15.256 12.316 ( -9.818 -14.334 0.395) 17.378 12.339 ( -9.706 -14.094 -0.373) 17.117 14.163 ( 3.738 29.220 1.214) 29.483 14.391 ( -0.225 20.131 0.453) 20.137 14.451 ( 0.245 1.377 -1.532) 2.075 14.659 ( 0.525 -7.073 -0.732) 7.130 15.277 ( 2.541 0.354 -1.614) 3.031 15.312 ( -4.139 -3.950 0.336) 5.731 15.395 ( 4.547 6.807 -1.042) 8.252 15.472 ( -2.592 -1.420 -1.625) 3.373 16.080 ( 4.689 4.320 0.134) 6.377 16.148 ( 1.566 7.373 0.421) 7.550 16.252 ( 1.443 -10.729 -0.442) 10.835 16.367 ( -0.536 -12.018 -0.038) 12.030 19.699 ( 0.090 2.023 0.570) 2.104 19.751 ( -1.382 -2.781 -2.295) 3.861 19.813 ( 0.753 0.452 2.482) 2.633 19.877 ( -0.373 -5.515 -3.496) 6.540 20.043 ( 0.778 0.936 4.041) 4.221 20.073 ( 0.224 -2.131 -0.559) 2.215 20.520 ( 0.095 1.916 1.529) 2.453 20.554 ( 0.337 -1.465 0.996) 1.804 21.162 ( 1.685 3.793 8.226) 9.214 21.225 ( 0.198 -2.162 0.041) 2.172 21.462 ( 1.570 3.030 4.016) 5.270 21.501 ( 0.428 -0.410 -0.038) 0.594 21.705 ( 0.330 0.211 0.121) 0.410 21.744 ( -0.448 0.820 -1.617) 1.867 21.760 ( -1.314 -2.061 -3.614) 4.363 21.815 ( -1.566 -3.642 -5.443) 6.734 22.021 ( -0.072 3.594 -0.269) 3.604 22.077 ( -0.441 -0.716 0.662) 1.070 22.125 ( -1.078 1.456 0.006) 1.812 22.182 ( 0.079 -3.963 -0.346) 3.979 22.278 ( -0.293 5.018 -1.431) 5.226 22.375 ( 0.799 -3.720 1.393) 4.052 22.487 ( 0.003 0.846 -2.505) 2.644 22.511 ( -1.376 -1.982 0.742) 2.524 22.570 ( 0.339 -1.465 -2.830) 3.204 22.588 ( 0.305 -2.952 -2.541) 3.907 22.719 ( -0.807 2.607 0.435) 2.764 22.774 ( 0.172 -2.287 1.412) 2.693 23.053 ( -0.336 1.002 0.078) 1.059 23.064 ( -0.205 0.037 -0.542) 0.581 23.117 ( -0.227 0.890 0.772) 1.200 23.130 ( -0.142 -0.003 0.988) 0.998 23.228 ( 0.392 1.058 0.375) 1.189 23.264 ( 0.769 -1.953 -0.057) 2.100 23.343 ( 0.692 -0.684 1.831) 2.074 23.354 ( 0.314 -1.954 1.279) 2.356 ======================= Grid point 35 (13/44) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 3.172 0.000 15.482) 15.804 0.317 ( -1.498 0.000 17.701) 17.765 0.540 ( -8.657 0.000 29.693) 30.930 0.860 ( -1.065 0.000 -11.341) 11.391 0.931 ( 3.144 0.000 -13.516) 13.877 1.047 ( 1.877 0.000 0.406) 1.921 1.167 ( -5.821 0.000 -3.381) 6.732 1.202 ( 3.122 0.000 -0.613) 3.182 1.234 ( -1.530 0.000 -2.983) 3.353 1.257 ( -0.813 0.000 3.307) 3.406 1.291 ( 5.132 0.000 1.222) 5.276 1.311 ( -1.573 0.000 -0.002) 1.573 1.321 ( -1.861 0.000 -0.660) 1.974 1.349 ( 1.716 0.000 1.984) 2.623 1.366 ( -1.848 0.000 5.483) 5.786 1.374 ( -0.762 0.000 0.495) 0.908 1.417 ( 2.043 0.000 -3.634) 4.168 1.426 ( -1.748 0.000 5.566) 5.834 1.471 ( -0.670 0.000 1.635) 1.767 1.479 ( -1.203 0.000 2.583) 2.849 1.508 ( 0.779 0.000 1.324) 1.537 1.558 ( -0.392 0.000 -1.400) 1.454 1.571 ( 1.346 0.000 -1.148) 1.769 1.590 ( -1.539 0.000 -1.027) 1.851 1.603 ( -0.335 0.000 -1.121) 1.170 1.606 ( -1.530 0.000 -0.438) 1.592 1.614 ( 1.755 0.000 -1.008) 2.024 1.656 ( 0.101 0.000 -0.666) 0.673 1.680 ( 2.346 0.000 1.148) 2.612 1.695 ( -0.095 0.000 0.083) 0.126 1.706 ( 2.836 0.000 2.310) 3.658 1.739 ( -1.922 0.000 -1.421) 2.390 1.901 ( -2.562 0.000 -5.003) 5.621 1.926 ( -4.022 0.000 -15.052) 15.580 1.959 ( 1.750 0.000 0.112) 1.753 1.997 ( 1.186 0.000 -6.043) 6.158 2.042 ( 1.585 0.000 -8.092) 8.246 2.081 ( -16.245 0.000 -1.629) 16.326 2.100 ( -5.476 0.000 -3.239) 6.362 2.137 ( -1.449 0.000 0.987) 1.753 2.148 ( 5.314 0.000 -2.476) 5.862 2.171 ( 2.170 0.000 -0.504) 2.228 2.221 ( -2.561 0.000 0.543) 2.618 2.246 ( -4.284 0.000 0.471) 4.310 2.278 ( 0.363 0.000 -1.458) 1.502 2.294 ( 6.862 0.000 -3.393) 7.655 2.424 ( 5.172 0.000 -2.728) 5.848 2.445 ( -2.586 0.000 -3.909) 4.687 2.515 ( 0.406 0.000 1.165) 1.234 2.515 ( 1.627 0.000 2.958) 3.376 2.679 ( 0.437 0.000 3.038) 3.070 2.776 ( 1.967 0.000 -1.310) 2.363 2.793 ( 0.644 0.000 2.418) 2.502 2.841 ( -0.503 0.000 -0.931) 1.058 2.865 ( -2.821 0.000 -0.789) 2.929 2.874 ( 2.665 0.000 -1.157) 2.906 3.144 ( 1.421 0.000 2.293) 2.698 3.155 ( 3.957 0.000 5.338) 6.644 3.252 ( -8.522 0.000 6.779) 10.889 3.332 ( -2.490 0.000 7.283) 7.697 3.423 ( 2.491 0.000 4.367) 5.028 3.482 ( 9.072 0.000 -2.731) 9.474 3.568 ( 2.842 0.000 -2.739) 3.946 3.612 ( -1.138 0.000 -4.897) 5.027 3.681 ( -2.446 0.000 -1.067) 2.669 3.743 ( 1.164 0.000 -3.497) 3.686 3.760 ( 0.945 0.000 -1.301) 1.608 3.789 ( 0.374 0.000 -2.398) 2.427 3.923 ( 1.977 0.000 4.756) 5.151 3.998 ( 0.831 0.000 3.370) 3.471 4.040 ( 2.013 0.000 6.858) 7.147 4.063 ( -2.332 0.000 2.568) 3.469 4.098 ( 0.288 0.000 2.171) 2.190 4.104 ( -2.041 0.000 1.356) 2.451 4.248 ( 0.127 0.000 3.703) 3.705 4.260 ( 1.640 0.000 -2.051) 2.626 4.296 ( 2.116 0.000 2.786) 3.498 4.355 ( -3.805 0.000 0.931) 3.918 4.425 ( -0.012 0.000 -3.775) 3.775 4.487 ( -5.081 0.000 -6.275) 8.074 4.500 ( 0.426 0.000 3.868) 3.891 4.551 ( -5.927 0.000 -2.989) 6.638 4.591 ( 2.398 0.000 -5.561) 6.056 4.731 ( 2.320 0.000 8.453) 8.765 4.923 ( 2.045 0.000 -3.143) 3.750 4.984 ( 8.415 0.000 -1.804) 8.607 5.061 ( -2.655 0.000 -1.968) 3.305 5.137 ( 3.482 0.000 -0.315) 3.496 5.204 ( -5.117 0.000 -2.677) 5.775 5.210 ( -1.141 0.000 -0.583) 1.281 5.256 ( -5.189 0.000 5.517) 7.574 5.296 ( 2.253 0.000 2.276) 3.203 5.382 ( -1.564 0.000 0.831) 1.771 5.385 ( -3.366 0.000 -0.087) 3.367 5.443 ( -5.496 0.000 0.070) 5.496 5.555 ( 0.974 0.000 -1.849) 2.090 5.635 ( 4.223 0.000 -6.765) 7.975 5.655 ( -3.554 0.000 -1.672) 3.928 5.696 ( 6.380 0.000 0.421) 6.394 5.860 ( 1.550 0.000 -4.098) 4.381 5.893 ( 2.897 0.000 5.214) 5.965 6.048 ( -0.482 0.000 2.195) 2.247 6.083 ( -6.915 0.000 -1.394) 7.054 6.177 ( 1.503 0.000 -2.186) 2.653 6.359 ( 5.650 0.000 1.091) 5.755 6.387 ( -4.660 0.000 -0.494) 4.686 6.393 ( -2.166 0.000 2.952) 3.661 6.436 ( 0.470 0.000 1.005) 1.110 6.610 ( 10.897 0.000 1.530) 11.004 6.670 ( 0.091 0.000 -0.826) 0.831 7.095 ( 1.715 0.000 2.365) 2.922 7.232 ( -2.867 0.000 -3.558) 4.570 7.240 ( 0.854 0.000 1.606) 1.819 7.290 ( -1.705 0.000 -0.364) 1.743 7.641 ( -0.370 0.000 0.515) 0.634 7.660 ( 2.334 0.000 -0.239) 2.346 7.974 ( 0.129 0.000 -0.461) 0.479 7.992 ( 0.556 0.000 -1.071) 1.206 8.384 ( 4.602 0.000 4.589) 6.499 8.542 ( -4.915 0.000 -2.210) 5.388 8.885 ( -1.107 0.000 0.858) 1.401 8.890 ( -0.048 0.000 0.240) 0.245 8.957 ( 1.159 0.000 -0.601) 1.305 8.968 ( 0.139 0.000 -1.073) 1.082 9.120 ( 0.337 0.000 4.885) 4.896 9.204 ( 0.382 0.000 -0.220) 0.441 9.319 ( -2.034 0.000 -3.592) 4.128 9.359 ( -14.050 0.000 2.146) 14.213 9.372 ( 0.238 0.000 -3.748) 3.755 9.482 ( 3.779 0.000 -2.042) 4.295 9.541 ( -1.016 0.000 1.973) 2.219 9.614 ( 2.996 0.000 -0.458) 3.031 9.640 ( 0.137 0.000 2.692) 2.696 9.664 ( 2.638 0.000 1.033) 2.833 9.765 ( -3.524 0.000 0.017) 3.524 9.802 ( 2.881 0.000 -0.397) 2.908 9.838 ( -1.008 0.000 -0.506) 1.128 9.869 ( -2.771 0.000 0.679) 2.853 9.905 ( -0.905 0.000 -1.403) 1.669 9.925 ( 2.744 0.000 -2.694) 3.845 10.063 ( 0.958 0.000 0.930) 1.335 10.078 ( -2.130 0.000 0.337) 2.157 10.172 ( -6.738 0.000 -0.362) 6.748 10.196 ( 3.014 0.000 -1.158) 3.229 10.222 ( 1.057 0.000 1.097) 1.524 10.233 ( -2.678 0.000 0.566) 2.737 10.686 ( -1.171 0.000 0.591) 1.312 10.719 ( 4.149 0.000 -0.736) 4.214 10.762 ( -2.004 0.000 2.460) 3.173 10.885 ( -0.883 0.000 -3.106) 3.229 11.070 ( 4.663 0.000 2.590) 5.334 11.153 ( -2.585 0.000 -1.158) 2.832 11.223 ( -0.556 0.000 -0.194) 0.589 11.235 ( 9.532 0.000 -0.537) 9.547 11.733 ( -0.461 0.000 0.261) 0.530 11.743 ( 0.483 0.000 -0.168) 0.511 13.529 ( -0.044 0.000 0.302) 0.305 13.542 ( 0.048 0.000 -0.252) 0.257 14.190 ( 19.548 0.000 3.518) 19.862 14.443 ( -34.166 0.000 -9.700) 35.517 14.714 ( -9.089 0.000 2.549) 9.440 14.750 ( 20.160 0.000 3.592) 20.478 15.774 ( 3.228 0.000 0.187) 3.234 15.803 ( -2.569 0.000 -1.057) 2.778 15.900 ( -4.459 0.000 0.610) 4.501 15.920 ( 4.819 0.000 -0.150) 4.821 16.657 ( -2.120 0.000 1.121) 2.398 16.674 ( 1.764 0.000 0.102) 1.767 19.637 ( 4.754 0.000 19.366) 19.941 19.751 ( -2.651 0.000 11.533) 11.833 19.890 ( 4.597 0.000 8.099) 9.313 20.079 ( 5.005 0.000 4.340) 6.625 20.401 ( -3.156 0.000 -4.214) 5.265 20.421 ( -1.289 0.000 -8.677) 8.772 20.473 ( -0.483 0.000 -12.865) 12.874 20.603 ( -0.444 0.000 -2.870) 2.904 21.129 ( 0.212 0.000 -10.400) 10.402 21.175 ( 5.243 0.000 -9.373) 10.739 21.462 ( -0.020 0.000 -0.206) 0.207 21.505 ( -0.798 0.000 -3.328) 3.422 21.715 ( 4.129 0.000 4.245) 5.922 21.757 ( 7.492 0.000 4.073) 8.528 21.886 ( 0.701 0.000 1.355) 1.525 21.900 ( -1.354 0.000 1.689) 2.165 21.989 ( -2.143 0.000 4.319) 4.822 22.133 ( -3.965 0.000 -7.406) 8.401 22.144 ( -0.818 0.000 -2.600) 2.726 22.207 ( 0.058 0.000 -3.579) 3.580 22.322 ( 2.317 0.000 0.907) 2.488 22.445 ( -4.157 0.000 -6.620) 7.818 22.661 ( 5.494 0.000 1.689) 5.748 22.725 ( -0.244 0.000 3.670) 3.678 22.756 ( -1.153 0.000 -1.635) 2.001 22.782 ( 0.231 0.000 3.236) 3.244 22.796 ( 0.002 0.000 0.010) 0.010 22.842 ( 0.064 0.000 -1.135) 1.136 22.974 ( -0.054 0.000 1.572) 1.573 23.010 ( -6.666 0.000 0.452) 6.681 23.018 ( -3.070 0.000 1.506) 3.419 23.054 ( -0.030 0.000 -0.741) 0.742 23.353 ( 0.866 0.000 2.698) 2.834 23.355 ( -0.774 0.000 2.147) 2.283 23.598 ( 8.770 0.000 0.478) 8.783 23.615 ( -1.724 0.000 -0.278) 1.746 ======================= Grid point 36 (14/44) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.982 0.000 16.905) 16.934 0.487 ( 5.109 0.000 15.578) 16.394 0.702 ( 0.988 0.000 -14.012) 14.047 0.847 ( 3.323 0.000 -16.184) 16.522 0.883 ( 8.333 0.000 22.927) 24.394 0.984 ( -10.178 0.000 -4.812) 11.258 1.056 ( -4.829 0.000 5.549) 7.356 1.126 ( -4.690 0.000 -2.305) 5.226 1.149 ( -8.072 0.000 1.689) 8.247 1.287 ( 3.121 0.000 -0.098) 3.123 1.308 ( -4.082 0.000 4.422) 6.018 1.334 ( 2.284 0.000 -0.202) 2.293 1.344 ( 3.199 0.000 0.630) 3.260 1.358 ( 0.094 0.000 -0.975) 0.979 1.365 ( 2.648 0.000 -4.138) 4.913 1.384 ( 1.761 0.000 -3.035) 3.509 1.429 ( -7.484 0.000 1.557) 7.644 1.454 ( 4.452 0.000 -1.499) 4.697 1.483 ( -0.462 0.000 5.042) 5.063 1.515 ( -0.615 0.000 2.941) 3.005 1.535 ( 0.490 0.000 1.861) 1.924 1.536 ( -1.513 0.000 -0.857) 1.739 1.542 ( 1.654 0.000 -2.379) 2.898 1.582 ( -1.291 0.000 -1.170) 1.742 1.589 ( 1.649 0.000 -1.590) 2.291 1.627 ( 2.182 0.000 1.634) 2.726 1.630 ( -1.290 0.000 -2.368) 2.696 1.659 ( 2.807 0.000 0.136) 2.810 1.666 ( -3.217 0.000 -1.441) 3.525 1.699 ( 0.717 0.000 0.347) 0.796 1.704 ( -1.897 0.000 -0.466) 1.954 1.766 ( 2.241 0.000 -2.926) 3.685 1.796 ( -5.449 0.000 -3.549) 6.503 1.812 ( 0.036 0.000 -2.762) 2.763 1.819 ( 3.109 0.000 0.282) 3.121 1.929 ( -2.128 0.000 7.294) 7.598 1.997 ( 3.819 0.000 -6.508) 7.546 2.042 ( 0.621 0.000 -2.663) 2.735 2.113 ( 2.397 0.000 0.454) 2.439 2.178 ( 1.856 0.000 -0.077) 1.858 2.187 ( -3.724 0.000 -1.437) 3.991 2.236 ( 0.100 0.000 0.429) 0.441 2.251 ( 2.059 0.000 -1.182) 2.374 2.321 ( 6.683 0.000 -4.252) 7.921 2.322 ( -4.271 0.000 -2.599) 4.999 2.427 ( 5.073 0.000 0.266) 5.080 2.441 ( 9.142 0.000 -2.635) 9.514 2.535 ( 6.539 0.000 0.624) 6.568 2.600 ( 13.828 0.000 4.994) 14.702 2.616 ( 9.268 0.000 -2.987) 9.738 2.725 ( -0.223 0.000 -1.699) 1.713 2.778 ( -0.807 0.000 -1.787) 1.961 2.800 ( -3.504 0.000 -1.050) 3.658 2.828 ( 2.217 0.000 -2.014) 2.995 2.868 ( 5.117 0.000 -1.094) 5.232 2.896 ( 5.468 0.000 2.727) 6.110 3.172 ( -6.654 0.000 5.433) 8.590 3.226 ( 2.156 0.000 -0.962) 2.361 3.237 ( 8.683 0.000 -1.889) 8.886 3.374 ( -2.069 0.000 8.438) 8.688 3.503 ( 1.706 0.000 1.070) 2.014 3.523 ( -4.618 0.000 -6.414) 7.903 3.523 ( 2.562 0.000 -0.940) 2.729 3.608 ( 2.598 0.000 -5.485) 6.069 3.662 ( 1.945 0.000 0.751) 2.085 3.710 ( 0.040 0.000 -1.607) 1.607 3.760 ( -0.322 0.000 1.028) 1.077 3.803 ( 4.804 0.000 -3.397) 5.884 3.980 ( -3.517 0.000 -2.887) 4.550 3.987 ( -3.183 0.000 2.781) 4.227 4.046 ( -4.295 0.000 3.594) 5.601 4.071 ( -0.008 0.000 2.398) 2.398 4.113 ( -1.997 0.000 1.473) 2.481 4.167 ( 5.712 0.000 4.259) 7.125 4.258 ( -0.596 0.000 -2.230) 2.308 4.296 ( 2.933 0.000 1.039) 3.112 4.314 ( -1.161 0.000 -1.379) 1.803 4.315 ( 1.627 0.000 1.411) 2.153 4.414 ( 0.976 0.000 -2.814) 2.979 4.472 ( 5.785 0.000 -0.102) 5.786 4.491 ( 0.061 0.000 7.742) 7.743 4.583 ( 3.239 0.000 -7.212) 7.906 4.607 ( 2.075 0.000 6.096) 6.439 4.827 ( 1.203 0.000 3.200) 3.418 4.877 ( 3.455 0.000 -12.501) 12.970 4.998 ( -0.467 0.000 -2.514) 2.557 5.030 ( -5.535 0.000 1.846) 5.835 5.146 ( 2.015 0.000 0.251) 2.031 5.152 ( -3.949 0.000 -1.251) 4.143 5.232 ( 6.712 0.000 3.260) 7.462 5.249 ( -10.164 0.000 7.118) 12.409 5.337 ( 2.177 0.000 -0.868) 2.344 5.356 ( 0.552 0.000 -2.821) 2.874 5.382 ( 3.311 0.000 2.607) 4.214 5.388 ( 0.058 0.000 -0.122) 0.135 5.506 ( -4.926 0.000 -3.358) 5.961 5.605 ( -2.834 0.000 -1.688) 3.299 5.619 ( -0.488 0.000 -3.101) 3.139 5.767 ( 1.160 0.000 2.332) 2.604 5.873 ( -1.377 0.000 -1.818) 2.281 5.919 ( -2.601 0.000 6.540) 7.038 5.948 ( 5.207 0.000 -7.594) 9.207 6.083 ( 0.302 0.000 3.920) 3.931 6.184 ( 0.563 0.000 -0.509) 0.759 6.302 ( -4.821 0.000 -0.527) 4.849 6.419 ( 1.702 0.000 1.125) 2.040 6.428 ( -3.219 0.000 -0.540) 3.264 6.486 ( 3.834 0.000 2.148) 4.394 6.799 ( 15.339 0.000 0.950) 15.369 6.889 ( 11.907 0.000 -7.059) 13.843 7.185 ( 0.012 0.000 -4.058) 4.058 7.213 ( 9.346 0.000 3.845) 10.106 7.284 ( 1.536 0.000 1.873) 2.422 7.355 ( 13.539 0.000 -5.096) 14.466 7.656 ( 1.854 0.000 0.998) 2.106 7.702 ( 2.671 0.000 -2.242) 3.487 7.987 ( 0.456 0.000 -0.019) 0.456 8.038 ( 11.069 0.000 -7.810) 13.547 8.397 ( -8.507 0.000 -5.026) 9.881 8.518 ( 4.565 0.000 6.892) 8.267 8.876 ( -0.327 0.000 -0.221) 0.394 8.888 ( -0.659 0.000 0.554) 0.860 8.952 ( -0.521 0.000 -1.079) 1.198 8.983 ( 2.242 0.000 -0.028) 2.242 9.149 ( -2.015 0.000 2.771) 3.426 9.201 ( -0.670 0.000 -0.023) 0.670 9.236 ( -8.789 0.000 7.204) 11.364 9.274 ( -0.888 0.000 0.315) 0.942 9.327 ( -0.401 0.000 -3.038) 3.064 9.488 ( -1.247 0.000 -0.105) 1.251 9.554 ( 1.320 0.000 -0.181) 1.332 9.636 ( -5.592 0.000 -1.338) 5.750 9.647 ( 0.661 0.000 -1.359) 1.511 9.689 ( -0.812 0.000 -0.322) 0.874 9.700 ( -0.116 0.000 3.189) 3.191 9.730 ( -3.975 0.000 0.599) 4.020 9.829 ( -0.002 0.000 0.504) 0.504 9.862 ( -1.466 0.000 -2.558) 2.948 9.902 ( 1.452 0.000 0.362) 1.497 9.949 ( 1.687 0.000 -0.889) 1.907 10.052 ( -3.696 0.000 3.613) 5.168 10.115 ( -0.286 0.000 0.468) 0.548 10.115 ( 2.593 0.000 0.295) 2.610 10.193 ( -2.711 0.000 -0.115) 2.713 10.261 ( 6.094 0.000 -0.672) 6.130 10.289 ( 6.000 0.000 0.600) 6.030 10.676 ( -0.031 0.000 -0.513) 0.514 10.729 ( -1.325 0.000 0.378) 1.377 10.824 ( 4.930 0.000 2.324) 5.450 10.840 ( -0.504 0.000 -2.262) 2.318 11.058 ( -3.157 0.000 3.940) 5.049 11.077 ( -3.789 0.000 -3.516) 5.169 11.400 ( 22.211 0.000 5.636) 22.915 11.755 ( 23.559 0.000 -11.914) 26.400 11.786 ( 29.200 0.000 -13.426) 32.139 11.800 ( 7.027 0.000 0.511) 7.045 13.495 ( -4.136 0.000 0.344) 4.150 13.504 ( -4.127 0.000 -0.351) 4.142 13.668 ( -48.356 0.000 -10.147) 49.409 14.107 ( -27.728 0.000 16.259) 32.144 14.959 ( 24.734 0.000 -1.213) 24.764 15.067 ( 17.001 0.000 -0.426) 17.007 15.682 ( -7.429 0.000 -0.905) 7.484 15.718 ( -7.175 0.000 0.576) 7.198 15.963 ( 7.908 0.000 0.176) 7.910 16.074 ( 10.982 0.000 -0.955) 11.023 16.611 ( -3.984 0.000 0.499) 4.015 16.702 ( 0.893 0.000 0.632) 1.094 19.821 ( -2.983 0.000 9.568) 10.022 19.922 ( -5.955 0.000 5.179) 7.892 19.929 ( 6.675 0.000 17.550) 18.776 20.165 ( 0.137 0.000 -8.171) 8.173 20.305 ( -3.790 0.000 -8.445) 9.256 20.331 ( 0.651 0.000 -6.686) 6.718 20.340 ( -0.745 0.000 5.311) 5.363 20.536 ( -0.027 0.000 -8.796) 8.797 21.030 ( -0.491 0.000 -9.268) 9.281 21.162 ( 4.719 0.000 -8.587) 9.798 21.407 ( -6.565 0.000 3.316) 7.355 21.466 ( -1.214 0.000 -1.564) 1.980 21.780 ( -1.996 0.000 -2.050) 2.862 21.803 ( 2.377 0.000 1.398) 2.757 21.877 ( -2.321 0.000 0.073) 2.323 21.925 ( 0.861 0.000 1.958) 2.140 22.005 ( -1.664 0.000 4.406) 4.710 22.025 ( -2.176 0.000 -0.806) 2.320 22.115 ( -0.267 0.000 -0.310) 0.409 22.187 ( 1.323 0.000 -2.286) 2.641 22.347 ( -2.458 0.000 -2.756) 3.692 22.385 ( 3.412 0.000 2.253) 4.089 22.632 ( -7.785 0.000 5.888) 9.761 22.697 ( -3.158 0.000 -3.995) 5.092 22.759 ( 0.296 0.000 2.591) 2.608 22.795 ( 0.301 0.000 -1.098) 1.138 22.797 ( -0.752 0.000 1.403) 1.591 22.830 ( -0.070 0.000 -0.433) 0.439 22.946 ( -2.551 0.000 3.602) 4.414 22.994 ( 0.208 0.000 1.928) 1.939 23.045 ( -0.320 0.000 -0.198) 0.377 23.048 ( 1.029 0.000 0.514) 1.150 23.348 ( -2.044 0.000 0.852) 2.215 23.368 ( -2.431 0.000 1.439) 2.825 23.538 ( -4.483 0.000 -3.095) 5.447 23.564 ( -6.383 0.000 3.855) 7.457 ======================= Grid point 37 (15/44) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 8.001 0.000 -5.116) 9.497 0.635 ( -7.243 0.000 1.575) 7.412 0.711 ( 2.501 0.000 7.220) 7.641 0.772 ( 7.827 0.000 -12.415) 14.676 0.840 ( -9.677 0.000 1.675) 9.821 0.860 ( 2.316 0.000 7.321) 7.679 1.073 ( -0.697 0.000 -0.736) 1.013 1.079 ( -4.972 0.000 4.336) 6.597 1.223 ( -12.688 0.000 0.776) 12.712 1.273 ( -4.173 0.000 2.576) 4.905 1.279 ( 1.120 0.000 4.027) 4.180 1.328 ( 2.882 0.000 5.168) 5.917 1.349 ( 2.269 0.000 -4.180) 4.756 1.371 ( 1.287 0.000 4.053) 4.253 1.376 ( 3.041 0.000 -3.361) 4.533 1.415 ( 0.743 0.000 -1.205) 1.416 1.418 ( 2.768 0.000 1.365) 3.086 1.474 ( -0.966 0.000 -0.255) 0.999 1.485 ( -2.333 0.000 1.441) 2.742 1.511 ( 1.688 0.000 -2.409) 2.941 1.522 ( 0.326 0.000 -0.296) 0.441 1.532 ( 1.073 0.000 -0.723) 1.294 1.545 ( 0.178 0.000 -0.547) 0.575 1.565 ( 1.032 0.000 -1.052) 1.474 1.598 ( -0.365 0.000 -0.052) 0.369 1.604 ( 1.079 0.000 -1.540) 1.881 1.629 ( -0.999 0.000 -1.915) 2.160 1.632 ( 0.387 0.000 1.939) 1.977 1.667 ( 0.213 0.000 -0.569) 0.608 1.688 ( 0.046 0.000 0.168) 0.174 1.725 ( 0.136 0.000 -0.694) 0.708 1.775 ( 1.809 0.000 -2.491) 3.078 1.791 ( -0.307 0.000 8.828) 8.833 1.843 ( 2.217 0.000 4.680) 5.179 1.928 ( 3.871 0.000 5.114) 6.414 1.987 ( -2.379 0.000 4.788) 5.346 2.021 ( 2.421 0.000 1.079) 2.651 2.066 ( 2.727 0.000 2.490) 3.692 2.083 ( -1.341 0.000 -0.553) 1.451 2.158 ( 0.666 0.000 0.998) 1.199 2.206 ( 1.269 0.000 0.478) 1.356 2.248 ( -0.878 0.000 2.761) 2.898 2.262 ( 0.852 0.000 -2.086) 2.253 2.301 ( 1.779 0.000 1.135) 2.111 2.341 ( 3.059 0.000 -5.944) 6.685 2.471 ( 3.260 0.000 -1.808) 3.728 2.489 ( 1.915 0.000 0.093) 1.917 2.597 ( 1.483 0.000 -1.649) 2.218 2.648 ( -3.706 0.000 -4.533) 5.855 2.692 ( -3.113 0.000 0.675) 3.185 2.708 ( 3.477 0.000 0.748) 3.556 2.730 ( -1.636 0.000 -0.669) 1.768 2.746 ( -1.131 0.000 -3.886) 4.047 2.861 ( 0.718 0.000 -3.010) 3.095 2.933 ( -0.246 0.000 6.378) 6.383 3.020 ( 1.378 0.000 0.987) 1.695 3.155 ( 2.307 0.000 -3.048) 3.822 3.330 ( 7.160 0.000 8.025) 10.755 3.360 ( 9.289 0.000 -5.159) 10.625 3.361 ( -8.334 0.000 -2.401) 8.673 3.436 ( 0.131 0.000 7.474) 7.476 3.498 ( 0.300 0.000 -4.448) 4.459 3.552 ( 3.059 0.000 -7.973) 8.539 3.581 ( 0.891 0.000 3.181) 3.303 3.708 ( -0.559 0.000 0.420) 0.699 3.714 ( 3.236 0.000 -1.011) 3.391 3.774 ( -0.873 0.000 2.391) 2.545 3.800 ( -0.645 0.000 -0.828) 1.050 3.915 ( -6.194 0.000 1.394) 6.349 3.950 ( 3.310 0.000 -2.041) 3.889 4.019 ( -3.078 0.000 -5.808) 6.573 4.025 ( -0.803 0.000 -1.090) 1.354 4.102 ( -0.163 0.000 0.475) 0.502 4.216 ( -2.061 0.000 -3.084) 3.709 4.216 ( -0.577 0.000 -4.026) 4.067 4.306 ( 0.237 0.000 -0.154) 0.283 4.356 ( 2.134 0.000 1.085) 2.394 4.409 ( 5.221 0.000 -0.483) 5.244 4.434 ( -0.983 0.000 9.229) 9.281 4.541 ( -5.788 0.000 6.657) 8.821 4.542 ( 5.985 0.000 -4.140) 7.277 4.630 ( 4.616 0.000 5.868) 7.466 4.702 ( 1.091 0.000 5.162) 5.276 4.810 ( 3.566 0.000 -11.390) 11.935 4.835 ( 1.556 0.000 -1.994) 2.529 4.922 ( -7.005 0.000 3.152) 7.681 4.971 ( 1.327 0.000 -6.135) 6.277 5.071 ( -4.342 0.000 -1.655) 4.647 5.199 ( -4.726 0.000 8.523) 9.746 5.212 ( 4.331 0.000 -0.417) 4.351 5.328 ( -5.592 0.000 -3.962) 6.853 5.344 ( 1.867 0.000 1.106) 2.170 5.348 ( 2.138 0.000 -2.806) 3.528 5.416 ( 4.902 0.000 -0.062) 4.902 5.420 ( 0.091 0.000 3.187) 3.188 5.454 ( 2.312 0.000 1.272) 2.639 5.541 ( -2.163 0.000 -0.171) 2.170 5.587 ( -2.384 0.000 0.760) 2.502 5.779 ( -2.502 0.000 1.827) 3.098 5.818 ( 0.989 0.000 -2.401) 2.596 5.940 ( 0.168 0.000 2.102) 2.109 5.998 ( 1.753 0.000 -2.504) 3.057 6.171 ( 4.673 0.000 2.633) 5.363 6.178 ( -1.659 0.000 1.662) 2.348 6.251 ( 0.506 0.000 0.492) 0.706 6.347 ( -5.330 0.000 0.046) 5.330 6.445 ( 1.705 0.000 -3.152) 3.584 6.499 ( -2.268 0.000 -1.997) 3.022 6.933 ( 2.730 0.000 -1.121) 2.952 6.985 ( 3.172 0.000 0.909) 3.300 7.179 ( 1.965 0.000 0.757) 2.106 7.285 ( -0.295 0.000 0.210) 0.362 7.432 ( 4.690 0.000 3.575) 5.897 7.505 ( 8.861 0.000 -3.278) 9.448 7.698 ( -0.548 0.000 -0.654) 0.853 7.705 ( 0.740 0.000 0.855) 1.131 8.054 ( 0.767 0.000 4.288) 4.356 8.137 ( 12.398 0.000 -10.424) 16.198 8.244 ( 0.077 0.000 1.510) 1.512 8.650 ( 3.298 0.000 6.835) 7.589 8.868 ( 0.548 0.000 -2.375) 2.437 8.883 ( -0.701 0.000 0.717) 1.003 8.942 ( 0.823 0.000 -1.092) 1.367 9.009 ( 2.147 0.000 -2.582) 3.358 9.113 ( -4.199 0.000 0.449) 4.223 9.170 ( -1.307 0.000 -2.973) 3.248 9.195 ( -5.959 0.000 8.339) 10.249 9.300 ( 0.563 0.000 4.677) 4.711 9.337 ( 1.889 0.000 2.653) 3.256 9.471 ( -1.970 0.000 -0.135) 1.975 9.516 ( -1.944 0.000 0.740) 2.080 9.589 ( -3.694 0.000 0.200) 3.699 9.610 ( 1.590 0.000 0.200) 1.603 9.671 ( 0.710 0.000 -4.057) 4.118 9.697 ( -1.994 0.000 -3.406) 3.947 9.714 ( 0.046 0.000 -1.486) 1.487 9.845 ( -0.071 0.000 2.072) 2.073 9.848 ( 1.282 0.000 1.429) 1.920 9.907 ( -0.322 0.000 0.008) 0.322 9.958 ( 0.513 0.000 -0.751) 0.910 10.032 ( -3.643 0.000 3.873) 5.317 10.125 ( 0.479 0.000 0.202) 0.520 10.137 ( 0.610 0.000 -0.346) 0.701 10.151 ( -0.955 0.000 -1.305) 1.617 10.344 ( 4.178 0.000 -0.830) 4.260 10.373 ( 2.904 0.000 -0.608) 2.967 10.682 ( 2.102 0.000 -1.343) 2.494 10.699 ( -2.530 0.000 -0.126) 2.534 10.829 ( 0.693 0.000 -0.046) 0.695 10.935 ( 5.643 0.000 0.980) 5.728 10.973 ( -3.822 0.000 -2.723) 4.693 11.030 ( -4.249 0.000 1.938) 4.670 11.774 ( 4.865 0.000 3.688) 6.105 11.830 ( 2.921 0.000 -0.257) 2.933 12.195 ( 24.914 0.000 18.877) 31.258 12.263 ( 46.192 0.000 -23.309) 51.739 12.863 ( -28.798 0.000 1.376) 28.831 13.433 ( -3.034 0.000 0.336) 3.052 13.445 ( -2.419 0.000 -0.149) 2.423 13.879 ( -23.147 0.000 22.384) 32.200 15.259 ( 12.664 0.000 -0.491) 12.674 15.268 ( 7.783 0.000 -0.112) 7.784 15.582 ( -4.521 0.000 1.283) 4.699 15.625 ( -4.224 0.000 0.388) 4.241 16.074 ( 4.359 0.000 0.766) 4.426 16.202 ( 6.066 0.000 -2.062) 6.407 16.562 ( -2.472 0.000 1.170) 2.735 16.705 ( -0.574 0.000 -0.563) 0.803 19.788 ( -4.720 0.000 -2.562) 5.370 19.863 ( -10.968 0.000 -20.921) 23.622 19.871 ( -5.077 0.000 -0.158) 5.080 20.089 ( 2.755 0.000 -9.680) 10.064 20.283 ( 1.971 0.000 11.188) 11.360 20.318 ( 2.752 0.000 -1.832) 3.306 20.469 ( 1.844 0.000 -5.432) 5.736 20.490 ( 1.875 0.000 13.381) 13.512 20.907 ( -4.678 0.000 -6.795) 8.250 21.170 ( 5.283 0.000 -5.652) 7.737 21.379 ( -3.417 0.000 7.411) 8.161 21.435 ( -0.065 0.000 -1.994) 1.995 21.707 ( -2.026 0.000 -6.253) 6.573 21.760 ( -1.617 0.000 -8.565) 8.717 21.871 ( 0.010 0.000 1.221) 1.221 21.915 ( -1.256 0.000 -1.307) 1.813 22.015 ( -2.629 0.000 4.193) 4.949 22.054 ( 0.738 0.000 5.550) 5.599 22.142 ( 0.649 0.000 4.088) 4.140 22.194 ( 2.008 0.000 -2.224) 2.996 22.304 ( -0.523 0.000 -1.332) 1.431 22.440 ( -0.804 0.000 0.170) 0.822 22.600 ( 0.377 0.000 -5.560) 5.573 22.605 ( -5.022 0.000 9.559) 10.798 22.774 ( -0.745 0.000 1.153) 1.372 22.775 ( -0.293 0.000 -3.274) 3.287 22.806 ( -0.371 0.000 2.098) 2.130 22.834 ( 0.730 0.000 -0.116) 0.739 22.945 ( -1.560 0.000 2.355) 2.825 22.992 ( -1.128 0.000 -0.833) 1.403 23.052 ( -0.075 0.000 -1.100) 1.102 23.061 ( 0.064 0.000 3.071) 3.072 23.302 ( -2.639 0.000 -3.139) 4.102 23.315 ( -1.673 0.000 -1.058) 1.979 23.483 ( 1.290 0.000 -2.019) 2.396 23.506 ( -4.829 0.000 1.405) 5.029 ======================= Grid point 38 (16/44) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -16.001 0.000 -1.268) 16.052 0.547 ( -17.183 0.000 3.655) 17.568 0.711 ( 8.014 0.000 -3.770) 8.857 0.878 ( 14.038 0.000 -3.831) 14.551 0.894 ( -19.804 0.000 4.135) 20.231 0.969 ( 7.479 0.000 4.504) 8.730 1.038 ( 4.951 0.000 3.078) 5.829 1.085 ( 4.235 0.000 1.053) 4.364 1.144 ( -1.690 0.000 7.387) 7.578 1.233 ( -1.767 0.000 -6.157) 6.405 1.254 ( -1.727 0.000 4.067) 4.418 1.317 ( -1.642 0.000 -3.448) 3.819 1.363 ( -1.342 0.000 -1.701) 2.166 1.363 ( -0.570 0.000 -0.601) 0.828 1.392 ( -1.146 0.000 1.829) 2.159 1.450 ( -0.592 0.000 3.182) 3.236 1.456 ( -0.897 0.000 -0.257) 0.933 1.462 ( -2.204 0.000 2.061) 3.018 1.485 ( 3.311 0.000 1.637) 3.693 1.501 ( -0.542 0.000 -0.812) 0.976 1.517 ( -1.206 0.000 -1.302) 1.774 1.537 ( 1.150 0.000 -0.994) 1.520 1.554 ( 0.313 0.000 -1.000) 1.048 1.574 ( 0.138 0.000 -3.118) 3.121 1.589 ( 1.284 0.000 0.537) 1.392 1.611 ( 0.841 0.000 -2.663) 2.792 1.629 ( 2.417 0.000 1.855) 3.046 1.654 ( -0.940 0.000 0.021) 0.941 1.685 ( 1.835 0.000 1.713) 2.511 1.698 ( -1.609 0.000 -1.993) 2.561 1.725 ( 1.568 0.000 2.123) 2.639 1.741 ( -2.342 0.000 -2.883) 3.714 1.812 ( -3.928 0.000 4.121) 5.693 1.948 ( 0.711 0.000 8.611) 8.640 2.017 ( 5.995 0.000 -1.292) 6.132 2.047 ( 3.509 0.000 10.986) 11.533 2.082 ( 1.565 0.000 1.916) 2.474 2.115 ( -2.798 0.000 4.619) 5.400 2.132 ( 1.257 0.000 1.477) 1.939 2.153 ( 0.032 0.000 -0.985) 0.986 2.207 ( -0.345 0.000 -2.237) 2.264 2.249 ( 2.358 0.000 -3.122) 3.912 2.265 ( -1.093 0.000 3.387) 3.559 2.326 ( 0.731 0.000 -2.408) 2.516 2.398 ( 5.501 0.000 6.197) 8.287 2.488 ( -1.765 0.000 -1.974) 2.648 2.505 ( -3.261 0.000 -1.135) 3.453 2.559 ( 2.379 0.000 -4.242) 4.864 2.562 ( -2.584 0.000 -6.510) 7.004 2.620 ( 1.492 0.000 -7.331) 7.482 2.675 ( 0.066 0.000 -0.572) 0.575 2.751 ( 1.865 0.000 -0.384) 1.904 2.773 ( 1.979 0.000 2.002) 2.815 2.832 ( -0.623 0.000 -3.725) 3.777 2.935 ( -3.783 0.000 5.798) 6.923 3.019 ( 0.263 0.000 1.924) 1.942 3.185 ( 0.435 0.000 4.422) 4.444 3.214 ( -10.062 0.000 0.702) 10.087 3.346 ( -5.967 0.000 -7.745) 9.777 3.384 ( -5.951 0.000 3.256) 6.784 3.393 ( -0.289 0.000 -4.399) 4.409 3.585 ( -0.067 0.000 -2.096) 2.097 3.608 ( 7.269 0.000 6.029) 9.444 3.623 ( 6.637 0.000 -0.979) 6.708 3.715 ( 1.018 0.000 -0.300) 1.061 3.739 ( 2.344 0.000 -0.364) 2.373 3.755 ( -2.345 0.000 1.730) 2.914 3.850 ( 4.076 0.000 -1.336) 4.289 3.864 ( -0.627 0.000 -4.519) 4.562 3.926 ( -3.131 0.000 0.939) 3.269 3.945 ( 1.389 0.000 -5.905) 6.066 4.007 ( 1.399 0.000 -1.205) 1.846 4.108 ( -0.709 0.000 1.720) 1.860 4.168 ( 0.072 0.000 -3.380) 3.381 4.178 ( 0.514 0.000 0.825) 0.972 4.251 ( -6.247 0.000 -2.063) 6.579 4.322 ( -2.209 0.000 -1.694) 2.783 4.400 ( -4.383 0.000 1.911) 4.782 4.517 ( -0.130 0.000 7.655) 7.656 4.568 ( -0.818 0.000 5.619) 5.678 4.620 ( -8.908 0.000 -0.142) 8.909 4.637 ( 2.157 0.000 3.836) 4.401 4.731 ( 2.010 0.000 -2.409) 3.137 4.785 ( 5.180 0.000 -2.818) 5.897 4.845 ( -4.047 0.000 -1.950) 4.492 4.854 ( -2.828 0.000 -1.281) 3.104 5.012 ( 6.950 0.000 1.025) 7.025 5.043 ( 5.189 0.000 -2.414) 5.723 5.200 ( -3.425 0.000 -2.843) 4.452 5.251 ( 2.785 0.000 1.491) 3.159 5.264 ( 1.569 0.000 4.381) 4.654 5.338 ( -1.382 0.000 -2.756) 3.083 5.359 ( 2.806 0.000 -3.516) 4.499 5.432 ( -1.105 0.000 2.182) 2.446 5.452 ( -1.167 0.000 0.574) 1.300 5.531 ( 2.976 0.000 0.708) 3.059 5.545 ( -5.227 0.000 2.837) 5.947 5.556 ( 4.336 0.000 -0.365) 4.352 5.737 ( -2.869 0.000 0.024) 2.869 5.852 ( 3.881 0.000 -0.913) 3.986 5.953 ( -1.992 0.000 1.801) 2.685 5.981 ( 0.162 0.000 -1.279) 1.289 6.192 ( 1.406 0.000 2.002) 2.446 6.203 ( -2.391 0.000 2.140) 3.209 6.276 ( 0.349 0.000 2.581) 2.604 6.371 ( -4.554 0.000 -5.758) 7.341 6.374 ( 5.844 0.000 2.326) 6.290 6.432 ( -0.960 0.000 -4.174) 4.283 6.942 ( -6.648 0.000 -1.210) 6.758 6.988 ( 3.608 0.000 0.972) 3.736 7.243 ( 2.680 0.000 2.752) 3.841 7.259 ( -3.543 0.000 -2.261) 4.203 7.380 ( -11.405 0.000 2.230) 11.621 7.553 ( 0.425 0.000 -1.488) 1.548 7.676 ( -2.954 0.000 -0.069) 2.955 7.705 ( 2.247 0.000 0.144) 2.251 7.992 ( -3.146 0.000 0.179) 3.151 8.218 ( 8.763 0.000 -7.045) 11.244 8.461 ( 7.818 0.000 10.198) 12.850 8.728 ( 2.579 0.000 -7.859) 8.271 8.846 ( -0.144 0.000 1.237) 1.245 8.881 ( -0.172 0.000 0.444) 0.476 8.949 ( 1.024 0.000 -0.761) 1.276 8.995 ( 0.028 0.000 -3.709) 3.709 9.051 ( -2.630 0.000 0.673) 2.715 9.146 ( 1.188 0.000 -0.025) 1.189 9.209 ( -4.465 0.000 12.504) 13.277 9.362 ( 0.577 0.000 4.894) 4.928 9.420 ( 3.220 0.000 4.999) 5.946 9.431 ( 0.118 0.000 -2.243) 2.247 9.558 ( 2.441 0.000 1.430) 2.829 9.577 ( 2.589 0.000 -0.776) 2.702 9.600 ( -1.594 0.000 -3.605) 3.942 9.629 ( -0.153 0.000 -4.280) 4.283 9.653 ( 1.301 0.000 1.207) 1.775 9.684 ( -0.992 0.000 -3.278) 3.424 9.852 ( -0.828 0.000 0.810) 1.158 9.892 ( 1.790 0.000 0.857) 1.984 9.907 ( -0.542 0.000 1.401) 1.502 9.952 ( 0.091 0.000 -1.260) 1.263 10.013 ( -3.269 0.000 3.612) 4.871 10.126 ( -0.669 0.000 0.214) 0.702 10.136 ( -0.857 0.000 -0.258) 0.895 10.144 ( 1.947 0.000 -1.582) 2.508 10.352 ( -3.770 0.000 -1.389) 4.017 10.356 ( -2.306 0.000 -0.081) 2.307 10.660 ( -0.803 0.000 -1.170) 1.419 10.703 ( 0.979 0.000 -0.330) 1.033 10.864 ( 2.498 0.000 1.741) 3.045 10.866 ( -4.367 0.000 -1.730) 4.697 10.969 ( -3.711 0.000 -0.709) 3.778 11.060 ( 6.404 0.000 0.834) 6.458 11.739 ( -18.106 0.000 3.620) 18.464 11.831 ( -2.601 0.000 -0.224) 2.611 11.935 ( -22.735 0.000 -0.938) 22.755 12.817 ( 46.489 0.000 -14.004) 48.552 13.430 ( 2.301 0.000 0.100) 2.304 13.433 ( 9.272 0.000 4.307) 10.223 13.511 ( 33.493 0.000 27.192) 43.141 13.816 ( -8.182 0.000 9.376) 12.444 15.260 ( -8.910 0.000 -0.701) 8.937 15.301 ( -6.868 0.000 0.440) 6.882 15.616 ( 5.864 0.000 2.861) 6.525 15.623 ( 3.230 0.000 0.184) 3.235 16.093 ( -3.842 0.000 2.032) 4.346 16.194 ( -3.671 0.000 -4.813) 6.053 16.577 ( 2.007 0.000 2.437) 3.157 16.684 ( 0.604 0.000 -2.990) 3.051 19.524 ( -6.034 0.000 -14.022) 15.265 19.621 ( -1.834 0.000 -26.306) 26.370 19.746 ( -6.499 0.000 1.595) 6.692 20.015 ( 1.601 0.000 -8.491) 8.640 20.390 ( 2.222 0.000 9.919) 10.165 20.419 ( 1.518 0.000 7.126) 7.286 20.488 ( 1.376 0.000 1.851) 2.307 20.591 ( 0.807 0.000 2.117) 2.266 20.780 ( -7.240 0.000 2.296) 7.596 21.193 ( 4.681 0.000 -7.281) 8.656 21.427 ( -0.355 0.000 7.337) 7.346 21.458 ( 3.788 0.000 1.966) 4.268 21.587 ( -3.118 0.000 -9.816) 10.300 21.654 ( 0.259 0.000 -9.197) 9.200 21.882 ( 0.146 0.000 0.872) 0.884 21.885 ( -0.946 0.000 -0.774) 1.222 22.005 ( -3.322 0.000 3.700) 4.973 22.116 ( 0.652 0.000 4.456) 4.503 22.183 ( -0.334 0.000 2.707) 2.727 22.210 ( 2.130 0.000 -0.605) 2.214 22.297 ( 0.377 0.000 -0.714) 0.807 22.359 ( -2.668 0.000 -5.070) 5.729 22.636 ( 3.756 0.000 1.088) 3.911 22.650 ( -2.298 0.000 9.650) 9.920 22.716 ( -1.448 0.000 -5.503) 5.690 22.770 ( -1.400 0.000 1.773) 2.259 22.815 ( -0.082 0.000 0.121) 0.146 22.846 ( 0.926 0.000 -0.485) 1.046 22.950 ( -0.856 0.000 3.256) 3.367 22.967 ( -0.776 0.000 -0.425) 0.885 23.036 ( -0.615 0.000 0.229) 0.656 23.073 ( -0.779 0.000 0.524) 0.939 23.275 ( 1.841 0.000 -1.632) 2.460 23.279 ( -0.487 0.000 -2.907) 2.948 23.431 ( -4.859 0.000 -0.842) 4.931 23.523 ( 4.320 0.000 0.206) 4.325 ======================= Grid point 39 (17/44) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( -12.521 0.000 7.673) 14.685 0.298 ( -16.667 0.000 4.496) 17.262 0.603 ( -24.546 0.000 20.466) 31.959 0.857 ( 7.660 0.000 -2.825) 8.165 1.019 ( 2.465 0.000 -10.505) 10.791 1.070 ( 1.669 0.000 -4.460) 4.761 1.094 ( 13.717 0.000 -1.060) 13.757 1.146 ( 3.493 0.000 -4.653) 5.818 1.195 ( 2.352 0.000 2.267) 3.267 1.215 ( -0.468 0.000 6.932) 6.947 1.270 ( 0.948 0.000 -1.700) 1.946 1.296 ( -1.339 0.000 7.151) 7.275 1.334 ( -0.583 0.000 0.577) 0.820 1.344 ( -1.421 0.000 -0.032) 1.421 1.384 ( -1.416 0.000 0.600) 1.538 1.417 ( -3.141 0.000 -1.883) 3.662 1.432 ( -3.791 0.000 3.500) 5.159 1.448 ( -3.746 0.000 -0.971) 3.870 1.473 ( -0.410 0.000 1.778) 1.825 1.495 ( -0.136 0.000 0.038) 0.141 1.510 ( -2.537 0.000 -0.070) 2.538 1.551 ( 1.746 0.000 -0.936) 1.981 1.559 ( 0.818 0.000 -0.553) 0.988 1.594 ( 4.233 0.000 -0.548) 4.269 1.606 ( 0.500 0.000 -0.820) 0.960 1.608 ( 0.583 0.000 0.583) 0.824 1.642 ( 0.261 0.000 -1.264) 1.291 1.644 ( -2.250 0.000 -1.619) 2.772 1.668 ( -0.108 0.000 1.374) 1.378 1.681 ( -1.313 0.000 -1.045) 1.678 1.695 ( -0.384 0.000 -0.702) 0.800 1.742 ( -0.223 0.000 0.264) 0.346 1.816 ( -2.219 0.000 7.388) 7.715 2.033 ( -0.819 0.000 0.409) 0.916 2.071 ( -2.659 0.000 -1.429) 3.019 2.083 ( 0.215 0.000 -3.165) 3.172 2.087 ( -2.824 0.000 -1.740) 3.317 2.109 ( 6.095 0.000 -2.697) 6.664 2.136 ( -0.992 0.000 1.792) 2.048 2.157 ( -0.308 0.000 -6.284) 6.291 2.199 ( 2.208 0.000 1.286) 2.555 2.245 ( 0.765 0.000 -4.773) 4.834 2.277 ( -0.979 0.000 -0.343) 1.037 2.329 ( -1.690 0.000 -3.788) 4.147 2.371 ( -7.830 0.000 0.171) 7.832 2.411 ( -1.650 0.000 -9.091) 9.240 2.413 ( -1.582 0.000 0.376) 1.626 2.525 ( 0.423 0.000 2.929) 2.959 2.542 ( -7.012 0.000 1.266) 7.125 2.612 ( 4.269 0.000 1.137) 4.418 2.734 ( 6.238 0.000 -2.608) 6.761 2.754 ( -0.666 0.000 -0.985) 1.189 2.821 ( 3.280 0.000 -0.262) 3.290 2.827 ( 2.137 0.000 1.348) 2.526 2.952 ( -5.171 0.000 1.665) 5.432 3.051 ( -3.610 0.000 4.139) 5.492 3.095 ( 0.530 0.000 -1.777) 1.855 3.135 ( -6.621 0.000 -8.760) 10.981 3.257 ( -1.311 0.000 8.641) 8.740 3.323 ( -4.500 0.000 4.024) 6.037 3.375 ( 0.349 0.000 0.581) 0.678 3.540 ( -1.395 0.000 -11.333) 11.419 3.639 ( -6.435 0.000 -10.928) 12.682 3.666 ( 0.395 0.000 -3.063) 3.088 3.702 ( 2.703 0.000 2.760) 3.863 3.722 ( -3.149 0.000 2.510) 4.026 3.779 ( -1.801 0.000 -3.402) 3.849 3.810 ( 2.334 0.000 -5.760) 6.215 3.886 ( 4.502 0.000 6.883) 8.225 3.907 ( 1.716 0.000 -1.686) 2.406 3.997 ( -0.361 0.000 -0.428) 0.560 4.028 ( 5.183 0.000 0.933) 5.267 4.119 ( -7.874 0.000 1.118) 7.953 4.127 ( -1.084 0.000 1.894) 2.182 4.179 ( 0.998 0.000 5.583) 5.672 4.224 ( 3.762 0.000 -0.667) 3.821 4.283 ( -0.041 0.000 -2.173) 2.174 4.379 ( -1.869 0.000 3.498) 3.966 4.460 ( -5.088 0.000 -2.016) 5.473 4.546 ( -3.341 0.000 -0.967) 3.478 4.628 ( -1.168 0.000 9.303) 9.376 4.652 ( -2.518 0.000 -2.768) 3.742 4.680 ( -4.369 0.000 -4.101) 5.993 4.709 ( -7.388 0.000 -4.153) 8.475 4.812 ( 4.568 0.000 0.958) 4.668 4.885 ( 3.495 0.000 1.071) 3.655 5.096 ( 3.465 0.000 -1.970) 3.986 5.102 ( 0.951 0.000 0.149) 0.963 5.192 ( 2.273 0.000 0.494) 2.326 5.256 ( -3.018 0.000 1.085) 3.207 5.289 ( -1.322 0.000 -0.844) 1.568 5.364 ( 5.023 0.000 -3.113) 5.910 5.387 ( 4.769 0.000 1.104) 4.895 5.410 ( -3.445 0.000 0.462) 3.476 5.465 ( -5.379 0.000 -3.320) 6.321 5.500 ( 6.122 0.000 7.892) 9.988 5.557 ( 0.420 0.000 -0.232) 0.479 5.613 ( 6.671 0.000 -6.735) 9.479 5.724 ( 0.969 0.000 2.968) 3.122 5.877 ( 1.478 0.000 -2.745) 3.117 5.880 ( -9.626 0.000 -0.392) 9.634 6.006 ( 2.109 0.000 1.800) 2.773 6.167 ( -4.463 0.000 2.261) 5.003 6.207 ( -1.485 0.000 -2.273) 2.715 6.302 ( 3.187 0.000 -1.067) 3.361 6.359 ( 4.324 0.000 2.689) 5.092 6.398 ( 0.262 0.000 -0.573) 0.630 6.453 ( 0.145 0.000 2.047) 2.052 6.782 ( -11.670 0.000 0.002) 11.670 7.001 ( -4.127 0.000 -7.178) 8.280 7.122 ( -6.837 0.000 -0.679) 6.870 7.262 ( -5.139 0.000 0.896) 5.217 7.288 ( 0.343 0.000 0.629) 0.716 7.504 ( -4.518 0.000 -6.525) 7.937 7.647 ( -1.192 0.000 0.678) 1.371 7.726 ( -1.166 0.000 -3.799) 3.974 7.984 ( 1.197 0.000 -0.629) 1.353 8.280 ( 4.270 0.000 -4.877) 6.482 8.390 ( -21.129 0.000 -35.510) 41.320 8.585 ( -0.701 0.000 3.690) 3.756 8.884 ( -0.035 0.000 1.933) 1.934 8.885 ( 0.212 0.000 0.230) 0.313 8.961 ( 0.300 0.000 -2.541) 2.559 8.964 ( 1.422 0.000 -0.658) 1.567 9.063 ( 0.985 0.000 3.318) 3.461 9.184 ( 2.454 0.000 -0.283) 2.470 9.337 ( 3.423 0.000 8.597) 9.253 9.381 ( -1.282 0.000 -1.581) 2.036 9.439 ( 3.172 0.000 -1.553) 3.532 9.532 ( 3.815 0.000 2.648) 4.644 9.534 ( -0.835 0.000 0.369) 0.913 9.598 ( -3.156 0.000 -4.375) 5.394 9.604 ( 1.032 0.000 -0.713) 1.254 9.622 ( 0.514 0.000 1.420) 1.510 9.668 ( 8.509 0.000 0.988) 8.566 9.721 ( 4.936 0.000 1.692) 5.218 9.849 ( -0.360 0.000 0.557) 0.663 9.911 ( -1.670 0.000 2.282) 2.827 9.913 ( 0.765 0.000 -0.639) 0.997 9.938 ( 0.114 0.000 -2.039) 2.042 10.040 ( 2.641 0.000 9.933) 10.278 10.097 ( -3.588 0.000 -0.377) 3.608 10.110 ( -1.522 0.000 0.403) 1.574 10.168 ( 2.492 0.000 -1.335) 2.827 10.256 ( -5.650 0.000 -0.753) 5.700 10.288 ( -5.171 0.000 0.563) 5.202 10.666 ( 2.680 0.000 -0.780) 2.791 10.702 ( -1.289 0.000 0.892) 1.568 10.797 ( -3.390 0.000 0.051) 3.391 10.905 ( -0.942 0.000 -2.375) 2.555 10.932 ( 1.566 0.000 3.001) 3.385 11.145 ( 3.611 0.000 -0.313) 3.625 11.386 ( -20.461 0.000 3.284) 20.723 11.765 ( -4.153 0.000 -0.626) 4.200 11.782 ( -4.557 0.000 -0.470) 4.581 12.883 ( -53.331 0.000 -100.076) 113.399 13.489 ( 5.111 0.000 0.050) 5.112 13.507 ( 4.153 0.000 -0.172) 4.157 13.674 ( 32.363 0.000 -18.428) 37.242 14.264 ( 28.297 0.000 13.910) 31.531 14.987 ( -22.622 0.000 -3.682) 22.920 15.052 ( -23.058 0.000 -5.441) 23.691 15.692 ( 5.597 0.000 -0.818) 5.656 15.733 ( 6.105 0.000 -1.634) 6.319 16.009 ( -9.252 0.000 -3.628) 9.938 16.009 ( -8.613 0.000 2.270) 8.908 16.642 ( 1.555 0.000 2.796) 3.199 16.664 ( 1.276 0.000 -3.802) 4.011 19.451 ( 1.419 0.000 5.759) 5.931 19.508 ( 10.767 0.000 19.159) 21.978 19.718 ( -4.313 0.000 8.995) 9.976 19.999 ( 3.131 0.000 -1.821) 3.622 20.458 ( -1.042 0.000 0.219) 1.064 20.499 ( -0.257 0.000 -2.782) 2.794 20.571 ( 0.671 0.000 -7.489) 7.519 20.587 ( 4.794 0.000 4.607) 6.648 20.889 ( 11.990 0.000 37.638) 39.502 21.183 ( 5.454 0.000 -9.769) 11.188 21.436 ( -2.245 0.000 -6.854) 7.212 21.512 ( 1.914 0.000 9.353) 9.547 21.541 ( 1.084 0.000 -0.373) 1.146 21.614 ( 4.062 0.000 -1.110) 4.211 21.873 ( -0.148 0.000 0.216) 0.262 21.893 ( -0.240 0.000 1.564) 1.582 21.991 ( -3.055 0.000 3.874) 4.933 22.179 ( -1.136 0.000 -0.870) 1.431 22.193 ( 5.094 0.000 -1.310) 5.259 22.234 ( 0.402 0.000 -0.921) 1.005 22.304 ( 0.169 0.000 -1.784) 1.792 22.327 ( 4.669 0.000 12.469) 13.315 22.595 ( -3.037 0.000 -8.083) 8.635 22.693 ( 0.675 0.000 2.882) 2.960 22.732 ( -0.566 0.000 7.489) 7.511 22.769 ( -0.511 0.000 1.036) 1.155 22.805 ( -0.179 0.000 -1.408) 1.419 22.849 ( 0.590 0.000 -1.293) 1.421 22.963 ( -0.142 0.000 0.875) 0.886 22.981 ( 0.969 0.000 1.659) 1.921 23.062 ( -0.107 0.000 -0.849) 0.856 23.110 ( 7.039 0.000 11.416) 13.411 23.218 ( -2.594 0.000 -3.156) 4.085 23.306 ( 2.110 0.000 1.200) 2.427 23.364 ( -2.879 0.000 1.952) 3.478 23.596 ( 3.305 0.000 0.682) 3.375 ======================= Grid point 40 (18/44) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 5.165 14.484 8.947) 17.790 0.436 ( -10.422 8.656 14.201) 19.627 0.725 ( -1.716 15.436 19.952) 25.284 0.921 ( -3.076 3.056 -14.126) 14.776 0.969 ( 3.584 4.005 -11.272) 12.488 1.060 ( 4.832 2.886 0.947) 5.707 1.198 ( -1.294 1.333 -1.971) 2.709 1.214 ( -1.118 1.516 -1.651) 2.505 1.237 ( -2.846 1.362 -1.620) 3.547 1.282 ( -2.042 2.264 2.050) 3.674 1.299 ( 0.999 -0.256 0.446) 1.123 1.331 ( -1.123 -0.769 0.584) 1.481 1.334 ( 1.204 1.328 1.000) 2.053 1.345 ( -0.084 1.409 -0.162) 1.421 1.359 ( -0.734 -0.156 0.638) 0.984 1.376 ( -0.671 0.816 3.629) 3.780 1.394 ( 1.092 0.220 0.997) 1.495 1.432 ( -0.590 0.149 1.748) 1.851 1.484 ( -0.789 1.133 -0.520) 1.476 1.501 ( 0.424 -0.855 0.741) 1.208 1.515 ( -1.024 1.268 1.507) 2.220 1.529 ( -1.377 -1.639 -0.400) 2.178 1.545 ( 2.414 -0.496 -1.950) 3.143 1.571 ( 0.838 -0.823 0.229) 1.197 1.589 ( -1.674 -1.078 0.009) 1.991 1.599 ( 0.957 -1.398 -0.139) 1.700 1.622 ( 0.367 -2.563 -1.252) 2.876 1.644 ( -0.440 1.203 1.124) 1.704 1.682 ( 0.553 0.900 0.586) 1.208 1.692 ( 0.809 0.467 1.447) 1.722 1.729 ( 1.067 0.359 0.098) 1.130 1.738 ( -1.458 1.199 -0.088) 1.890 1.844 ( -2.679 -4.509 3.914) 6.545 1.864 ( -2.775 -1.876 -4.360) 5.498 1.943 ( -2.653 -1.102 -7.918) 8.423 1.974 ( -2.051 2.153 -12.663) 13.008 2.059 ( -7.761 -1.019 2.666) 8.270 2.080 ( 1.564 -0.386 -2.768) 3.203 2.103 ( 4.759 -0.288 -3.916) 6.170 2.109 ( 5.754 -0.879 -2.428) 6.306 2.126 ( -4.362 0.203 -2.809) 5.192 2.198 ( 3.216 0.992 -2.360) 4.110 2.281 ( -0.927 2.111 -2.577) 3.457 2.298 ( 1.234 1.131 -2.585) 3.080 2.315 ( 3.536 3.695 1.434) 5.312 2.335 ( -3.381 3.122 -0.638) 4.646 2.424 ( -1.449 -1.192 -3.839) 4.273 2.491 ( 3.019 1.619 -2.230) 4.088 2.548 ( 2.803 -1.732 6.537) 7.320 2.598 ( 2.129 2.438 5.852) 6.688 2.669 ( -0.178 -3.791 -1.810) 4.205 2.729 ( 0.610 -2.347 -0.773) 2.545 2.772 ( -1.986 3.885 -2.344) 4.953 2.908 ( 0.452 4.969 -8.652) 9.987 2.933 ( -0.844 3.497 -0.406) 3.621 2.961 ( -0.359 2.964 -0.105) 2.987 3.071 ( -0.118 -1.882 6.194) 6.474 3.219 ( 3.260 2.009 -0.038) 3.829 3.287 ( -6.741 2.331 3.645) 8.010 3.357 ( -2.560 2.671 6.354) 7.353 3.419 ( 0.301 -0.270 4.020) 4.040 3.483 ( 7.178 0.309 -3.406) 7.951 3.567 ( -0.303 -2.328 -2.717) 3.591 3.601 ( 1.381 0.808 -4.393) 4.675 3.654 ( -0.170 -1.074 2.672) 2.885 3.734 ( 2.913 -1.702 -3.156) 4.620 3.767 ( -0.519 1.514 -0.026) 1.601 3.871 ( 1.451 4.297 -1.082) 4.663 3.934 ( -1.813 -2.497 5.502) 6.308 3.976 ( 2.475 1.074 5.216) 5.873 4.017 ( -1.060 1.015 0.989) 1.770 4.122 ( 1.809 4.176 1.539) 4.804 4.157 ( -3.019 2.908 0.412) 4.212 4.210 ( 0.030 4.189 -2.149) 4.708 4.249 ( 0.970 -0.141 0.174) 0.996 4.303 ( -0.414 4.678 -3.206) 5.686 4.359 ( -0.357 4.964 2.936) 5.779 4.364 ( 1.884 0.488 1.562) 2.496 4.387 ( -2.218 -2.847 -5.145) 6.285 4.452 ( 0.031 -2.876 -2.537) 3.835 4.530 ( -3.164 0.614 4.144) 5.250 4.590 ( -4.604 3.322 -0.774) 5.730 4.611 ( 1.368 2.645 -5.891) 6.601 4.757 ( 0.414 2.804 4.607) 5.409 4.927 ( 2.967 -0.622 -0.311) 3.048 4.958 ( 7.694 -0.811 -0.747) 7.773 5.034 ( -1.080 -2.450 -0.531) 2.729 5.072 ( -0.743 -4.184 2.614) 4.989 5.189 ( -1.252 -1.846 -0.716) 2.343 5.221 ( -2.912 -2.796 0.858) 4.128 5.279 ( -2.496 6.006 -0.267) 6.509 5.287 ( 0.902 0.329 5.150) 5.239 5.347 ( -2.803 -2.426 -1.607) 4.041 5.396 ( -0.977 -0.694 -1.466) 1.894 5.453 ( -0.859 2.613 0.095) 2.752 5.508 ( -0.771 -4.655 -1.226) 4.875 5.548 ( 4.911 0.691 -0.760) 5.017 5.651 ( -0.407 -2.154 -5.161) 5.607 5.741 ( -1.103 -1.946 2.100) 3.068 5.779 ( 3.776 -2.385 -0.918) 4.560 5.864 ( -0.031 -0.880 -2.872) 3.004 5.954 ( -0.040 -6.164 -4.106) 7.406 6.091 ( -4.193 -3.302 3.945) 6.637 6.164 ( 2.033 -5.589 1.393) 6.108 6.282 ( 2.480 -7.839 1.504) 8.358 6.327 ( -2.228 -9.112 0.370) 9.388 6.516 ( 0.251 -7.787 2.009) 8.046 6.598 ( -1.454 -6.221 -1.036) 6.472 6.675 ( -0.670 24.382 2.661) 24.536 6.998 ( 3.305 16.500 -14.710) 22.351 7.166 ( 5.153 4.426 1.078) 6.878 7.257 ( 1.293 3.513 -2.292) 4.389 7.293 ( -2.353 1.577 -1.754) 3.332 7.303 ( -3.680 12.311 -8.725) 15.532 7.703 ( -0.184 4.925 0.283) 4.937 7.711 ( 1.435 4.997 -0.078) 5.200 7.998 ( -0.501 1.210 -0.591) 1.436 8.003 ( 1.011 2.336 -0.824) 2.675 8.362 ( 4.158 -1.966 3.716) 5.913 8.513 ( -4.328 -3.366 -4.109) 6.851 8.857 ( -1.739 -0.977 0.406) 2.035 8.897 ( 1.466 -0.694 -1.686) 2.339 8.949 ( 0.398 -0.017 0.191) 0.442 8.979 ( 0.661 0.209 -0.603) 0.919 9.110 ( 0.355 -0.330 4.705) 4.730 9.220 ( 0.275 1.486 -0.882) 1.750 9.242 ( -5.973 -2.846 6.141) 9.027 9.360 ( -1.426 -0.438 -0.353) 1.533 9.387 ( -2.411 1.040 -2.892) 3.906 9.502 ( 0.103 0.057 -4.086) 4.088 9.529 ( 1.257 -0.845 0.304) 1.545 9.597 ( 1.558 -2.611 -1.360) 3.331 9.636 ( 1.560 -0.681 1.983) 2.613 9.661 ( 1.197 1.120 1.584) 2.280 9.733 ( -2.128 -1.246 1.170) 2.729 9.817 ( -5.444 -1.407 0.932) 5.700 9.826 ( 5.608 -1.251 0.381) 5.759 9.870 ( 0.095 2.370 -0.724) 2.480 9.892 ( -0.219 -1.848 -0.700) 1.988 9.940 ( 0.540 1.031 -2.663) 2.906 10.026 ( -0.618 -2.034 1.982) 2.907 10.067 ( 2.113 -3.467 3.969) 5.677 10.077 ( -1.536 -0.489 0.551) 1.704 10.193 ( -0.898 -0.727 -1.889) 2.214 10.289 ( 3.371 5.956 -0.002) 6.844 10.317 ( -3.910 2.994 -1.043) 5.034 10.695 ( -0.924 0.906 0.810) 1.526 10.730 ( 3.679 -0.399 0.771) 3.780 10.750 ( -2.490 -0.645 0.420) 2.606 10.861 ( -0.431 -2.435 -2.501) 3.517 10.989 ( 1.119 -2.928 4.887) 5.805 11.121 ( -0.083 -3.311 -1.908) 3.823 11.338 ( -2.822 12.119 0.531) 12.454 11.361 ( 3.722 12.170 -0.410) 12.733 12.078 ( -0.297 32.898 2.996) 33.036 12.533 ( 0.860 40.100 -26.757) 48.215 13.543 ( -0.834 -0.594 0.890) 1.356 13.775 ( 2.977 11.377 -21.647) 24.635 14.354 ( 17.503 20.412 -4.539) 27.269 14.501 ( -32.820 6.241 -8.395) 34.447 14.712 ( -10.973 0.398 2.486) 11.258 14.758 ( 20.874 2.589 2.132) 21.141 15.744 ( 3.247 -3.168 0.736) 4.596 15.795 ( -2.737 -1.498 -1.313) 3.385 15.870 ( -4.675 -2.793 0.231) 5.451 15.901 ( 4.422 -1.782 -0.585) 4.803 16.609 ( -1.795 -4.215 1.828) 4.933 16.663 ( 1.091 -2.174 -0.609) 2.508 19.626 ( 2.887 -0.221 14.238) 14.530 19.796 ( -0.911 3.572 12.715) 13.239 19.830 ( 6.860 -5.532 11.894) 14.804 20.039 ( -2.415 -2.474 8.308) 8.999 20.329 ( -2.176 -7.031 -7.828) 10.745 20.337 ( -2.709 -6.251 -5.237) 8.593 20.478 ( 0.887 -0.961 -8.879) 8.975 20.572 ( 0.830 -2.726 -3.363) 4.408 21.055 ( 1.975 -5.182 10.645) 12.003 21.211 ( 5.531 2.462 -6.634) 8.982 21.352 ( -2.144 -4.724 -0.660) 5.229 21.529 ( -0.596 -0.189 -5.542) 5.577 21.645 ( 2.738 -2.995 8.919) 9.799 21.716 ( 4.790 -2.540 5.189) 7.505 21.895 ( 0.282 0.894 0.017) 0.937 21.916 ( -1.812 0.737 -1.050) 2.220 22.003 ( -0.869 1.386 3.232) 3.623 22.099 ( -1.733 -2.851 -4.557) 5.648 22.144 ( -4.681 0.391 -2.787) 5.462 22.226 ( 1.296 0.692 -3.278) 3.593 22.290 ( 3.192 -2.835 3.211) 5.341 22.409 ( -3.379 -1.770 -0.291) 3.826 22.495 ( 0.561 -9.391 6.425) 11.392 22.656 ( -0.516 -1.921 0.965) 2.211 22.717 ( -0.224 -1.513 1.971) 2.495 22.748 ( -0.154 -2.733 -2.542) 3.736 22.768 ( 0.339 -1.615 1.785) 2.431 22.795 ( -0.686 -2.871 -1.714) 3.413 22.997 ( 0.284 2.435 2.218) 3.306 23.035 ( 0.478 1.732 1.304) 2.220 23.057 ( -0.388 0.721 -0.557) 0.990 23.102 ( -3.490 3.130 -2.745) 5.433 23.313 ( 2.435 -4.289 4.008) 6.355 23.340 ( -0.546 -1.763 1.743) 2.539 23.391 ( 3.942 -6.474 7.996) 11.017 23.546 ( -1.247 -6.044 -1.122) 6.272 ======================= Grid point 41 (19/44) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 1.659 4.710 15.027) 15.835 0.531 ( -0.521 6.735 12.687) 14.373 0.716 ( 0.992 3.128 -14.880) 15.238 0.925 ( 5.859 6.958 -6.443) 11.147 0.963 ( -1.612 4.999 7.240) 8.944 1.013 ( -8.526 3.848 -3.624) 10.031 1.076 ( -3.693 2.138 4.355) 6.097 1.156 ( -4.778 2.965 0.479) 5.644 1.189 ( -6.002 3.638 5.103) 8.678 1.255 ( 0.055 -1.585 1.023) 1.887 1.317 ( -1.908 -1.489 1.032) 2.631 1.330 ( 0.818 -0.461 0.753) 1.203 1.338 ( 1.627 0.810 -2.172) 2.832 1.358 ( 1.717 0.806 0.580) 1.983 1.381 ( 2.090 2.657 1.313) 3.626 1.395 ( 1.376 1.497 -1.924) 2.799 1.424 ( -2.614 -0.581 1.293) 2.973 1.456 ( 1.120 0.501 0.672) 1.399 1.463 ( -1.064 -2.876 -0.445) 3.098 1.482 ( -0.980 -1.113 -0.892) 1.730 1.504 ( -0.395 -1.878 0.916) 2.127 1.539 ( 0.150 -0.257 0.341) 0.453 1.550 ( 0.681 -0.085 -0.501) 0.849 1.580 ( 0.353 -2.315 0.276) 2.358 1.590 ( 1.170 -0.586 -0.744) 1.505 1.615 ( 1.756 1.069 -0.217) 2.067 1.636 ( -0.424 -0.669 -0.701) 1.057 1.665 ( 0.664 0.846 -0.460) 1.170 1.675 ( -1.649 0.839 -0.841) 2.032 1.684 ( -1.191 -0.380 -1.718) 2.125 1.716 ( 0.118 0.208 0.904) 0.936 1.743 ( 1.403 -0.954 -0.423) 1.749 1.768 ( -0.459 -1.008 -1.071) 1.541 1.810 ( -3.981 2.105 -2.938) 5.377 1.849 ( 1.226 -5.508 0.366) 5.654 1.900 ( 2.041 4.934 -0.912) 5.417 2.033 ( 1.376 1.326 0.268) 1.930 2.045 ( -0.035 0.088 -2.285) 2.287 2.109 ( 3.740 1.111 -0.296) 3.913 2.167 ( 1.225 -0.154 -1.469) 1.919 2.219 ( 1.313 2.118 -1.610) 2.967 2.235 ( 2.661 0.581 -0.929) 2.878 2.275 ( 2.411 1.978 -1.959) 3.683 2.310 ( 2.578 0.891 -2.344) 3.596 2.335 ( -1.001 0.634 -1.991) 2.316 2.363 ( 6.190 -2.843 -0.288) 6.818 2.460 ( 5.604 1.538 1.907) 6.116 2.525 ( 5.825 -0.445 -2.602) 6.395 2.619 ( 1.093 -2.403 1.495) 3.034 2.667 ( 0.206 -4.692 0.464) 4.720 2.690 ( 0.129 -0.246 -0.975) 1.014 2.741 ( 2.517 0.921 1.967) 3.324 2.774 ( 1.049 2.288 2.522) 3.563 2.829 ( 0.461 2.676 -7.791) 8.251 2.937 ( -1.221 2.189 0.580) 2.573 2.974 ( 7.628 2.401 0.920) 8.050 3.166 ( 1.749 -1.489 2.436) 3.348 3.191 ( -6.716 0.872 2.012) 7.065 3.286 ( 7.339 1.177 -1.671) 7.619 3.382 ( -2.549 1.079 6.131) 6.727 3.461 ( -0.973 -2.690 2.876) 4.057 3.499 ( -2.517 -1.578 -3.432) 4.540 3.510 ( 3.086 -0.937 -4.064) 5.188 3.624 ( 4.215 -0.140 -3.864) 5.720 3.696 ( 0.585 3.884 0.702) 3.990 3.720 ( -0.930 0.845 -1.086) 1.661 3.793 ( 2.321 1.753 2.045) 3.555 3.843 ( -0.677 3.236 -4.977) 5.975 3.946 ( -3.507 -4.729 4.254) 7.263 4.001 ( -3.482 0.709 0.455) 3.583 4.053 ( 1.634 -2.245 2.345) 3.634 4.095 ( -6.813 3.230 0.148) 7.541 4.117 ( -0.325 1.512 2.041) 2.561 4.165 ( 1.256 1.340 -3.215) 3.702 4.277 ( 0.230 2.486 -0.726) 2.600 4.318 ( 1.535 1.313 -0.670) 2.128 4.329 ( 0.081 2.585 -2.720) 3.753 4.349 ( 4.125 3.046 5.454) 7.486 4.464 ( 4.341 -0.937 -2.300) 5.002 4.499 ( -0.061 1.525 3.921) 4.207 4.543 ( 5.586 -0.070 1.311) 5.738 4.571 ( 1.706 6.132 -0.142) 6.367 4.642 ( 4.785 4.344 1.018) 6.543 4.798 ( -0.442 -1.506 1.637) 2.268 4.897 ( 3.031 0.604 -9.518) 10.007 4.989 ( -3.718 -3.551 -0.171) 5.144 5.045 ( -2.994 2.695 -1.689) 4.368 5.115 ( 0.119 -4.236 6.331) 7.619 5.165 ( 0.422 -0.568 1.996) 2.118 5.184 ( -3.499 2.328 -2.178) 4.733 5.272 ( 3.003 0.537 3.963) 5.001 5.327 ( 1.433 -0.520 -2.532) 2.956 5.367 ( 0.755 -0.398 1.017) 1.327 5.406 ( -0.421 2.317 -2.109) 3.161 5.411 ( 3.143 0.427 3.497) 4.721 5.480 ( -1.359 -0.491 -3.379) 3.675 5.608 ( 2.389 -2.345 -0.806) 3.443 5.628 ( 2.563 1.442 -2.908) 4.136 5.742 ( -0.851 -0.107 1.291) 1.550 5.834 ( 0.276 -3.795 -2.757) 4.699 5.870 ( 5.161 -1.798 1.359) 5.632 5.950 ( 7.491 -2.444 -3.703) 8.707 6.066 ( -3.120 -3.061 4.662) 6.390 6.210 ( 1.286 -3.193 -0.957) 3.573 6.277 ( -1.842 -6.974 -0.398) 7.224 6.354 ( 0.534 -5.912 1.958) 6.251 6.491 ( -5.710 1.625 1.260) 6.069 6.520 ( -4.247 0.612 0.141) 4.293 6.785 ( 9.049 3.805 2.092) 10.037 6.935 ( 1.733 8.131 -6.766) 10.719 7.191 ( -0.372 1.360 -2.778) 3.116 7.258 ( 0.783 -0.507 0.692) 1.162 7.277 ( 7.993 3.752 3.519) 9.505 7.428 ( 14.120 8.328 -5.307) 17.230 7.712 ( 1.198 4.635 0.600) 4.825 7.740 ( 1.533 3.878 -1.609) 4.469 7.986 ( -0.080 0.144 0.024) 0.166 8.049 ( 7.871 1.259 -5.070) 9.447 8.367 ( -7.917 -2.680 -4.742) 9.610 8.470 ( 2.775 -4.372 5.714) 7.712 8.835 ( -1.866 -1.657 0.939) 2.666 8.907 ( 2.216 -0.447 -1.839) 2.914 8.941 ( -1.351 -0.082 -0.289) 1.384 8.993 ( 1.833 0.193 -0.397) 1.885 9.142 ( -2.048 -0.535 3.223) 3.856 9.203 ( -0.569 0.115 -0.841) 1.022 9.228 ( -4.726 1.058 7.744) 9.133 9.302 ( -2.974 1.006 -0.773) 3.233 9.340 ( -0.265 1.254 -2.576) 2.877 9.476 ( -1.160 -0.980 -0.079) 1.520 9.561 ( 2.450 0.167 -0.519) 2.510 9.616 ( -4.565 -1.034 -1.009) 4.788 9.633 ( 2.547 -2.283 -1.296) 3.658 9.667 ( -1.301 -0.899 0.839) 1.791 9.719 ( -1.080 0.681 1.343) 1.853 9.737 ( -3.872 0.710 0.974) 4.055 9.848 ( -0.608 1.755 0.082) 1.859 9.864 ( 0.169 0.021 -1.276) 1.288 9.908 ( 1.356 -0.016 -0.007) 1.356 9.944 ( 2.023 -0.484 -1.191) 2.397 10.030 ( -2.117 -1.039 2.930) 3.762 10.063 ( 0.311 -2.039 -0.293) 2.083 10.133 ( -0.244 -5.008 0.530) 5.042 10.170 ( 0.802 0.697 -0.656) 1.248 10.262 ( 0.856 3.253 0.128) 3.367 10.370 ( 4.791 4.569 -0.203) 6.623 10.689 ( -0.173 1.174 -0.298) 1.224 10.722 ( -2.178 -0.680 0.993) 2.489 10.807 ( 4.040 -1.605 1.524) 4.606 10.823 ( -0.212 -1.733 -1.802) 2.509 11.021 ( -1.881 -2.789 3.427) 4.802 11.059 ( -4.131 -2.151 -3.178) 5.638 11.425 ( 12.986 6.937 1.095) 14.763 11.550 ( 16.277 0.935 -1.551) 16.378 12.203 ( 10.660 35.577 7.093) 37.812 12.458 ( 16.271 34.984 -20.455) 43.669 13.394 ( -22.960 -5.678 -1.825) 23.722 13.547 ( -12.087 3.909 -5.648) 13.902 13.921 ( -24.230 20.310 -4.612) 31.951 14.295 ( -17.588 18.875 9.422) 27.466 14.938 ( 24.295 -1.478 -1.026) 24.362 15.061 ( 16.402 -0.058 -0.712) 16.418 15.659 ( -7.945 -2.411 -1.405) 8.420 15.680 ( -7.843 -3.848 1.166) 8.813 15.949 ( 8.751 -1.313 0.511) 8.863 16.054 ( 11.133 -2.039 -0.915) 11.355 16.579 ( -3.557 -3.415 1.120) 5.056 16.675 ( 0.526 -2.924 0.068) 2.971 19.791 ( -0.473 -2.863 12.329) 12.666 19.875 ( -4.419 -1.738 1.846) 5.094 19.970 ( 2.479 0.860 11.645) 11.937 20.089 ( 1.042 -7.784 -1.932) 8.088 20.205 ( -3.400 -5.332 -7.427) 9.755 20.276 ( -4.234 -5.292 7.540) 10.139 20.387 ( 1.373 2.410 -9.107) 9.520 20.533 ( 1.593 -0.338 -7.050) 7.236 21.079 ( -0.336 4.350 -6.344) 7.699 21.201 ( 3.712 2.883 -7.660) 8.987 21.345 ( -4.029 -4.211 8.045) 9.934 21.461 ( -1.189 -0.595 -3.941) 4.160 21.742 ( 0.056 -1.915 2.882) 3.460 21.804 ( 2.368 -1.211 0.315) 2.678 21.865 ( -2.275 -1.280 -0.378) 2.638 21.917 ( 1.007 -0.930 1.542) 2.064 22.009 ( -0.881 -1.324 0.552) 1.683 22.029 ( -1.222 0.567 -3.089) 3.370 22.066 ( -3.880 -0.197 2.958) 4.883 22.229 ( 2.534 0.851 -1.351) 2.995 22.344 ( -1.701 1.073 -3.168) 3.752 22.381 ( 4.116 -1.349 3.094) 5.323 22.515 ( -5.980 -9.432 8.013) 13.745 22.665 ( -2.915 -3.157 -2.446) 4.944 22.707 ( 0.425 -2.320 -0.618) 2.438 22.724 ( 0.608 -4.848 -0.126) 4.888 22.774 ( 0.560 -2.794 -0.562) 2.905 22.803 ( 0.887 -0.873 0.741) 1.448 23.021 ( -0.932 2.303 1.655) 2.985 23.033 ( -1.315 3.883 0.957) 4.210 23.039 ( -1.126 0.686 -0.349) 1.364 23.073 ( 1.007 1.677 0.376) 1.992 23.327 ( -2.331 -2.826 -0.445) 3.691 23.341 ( -1.558 -1.717 2.036) 3.086 23.476 ( -1.284 -5.904 4.428) 7.491 23.491 ( -1.937 -4.146 -2.905) 5.420 ======================= Grid point 42 (20/44) ======================= q-point: ( 0.40 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -2.230 -2.421 -0.063) 3.292 0.700 ( 1.188 1.184 5.529) 5.778 0.717 ( 5.573 7.260 -0.653) 9.175 0.840 ( -3.262 4.125 -1.776) 5.550 0.884 ( 1.830 4.315 2.168) 5.164 0.898 ( -1.592 5.425 -1.553) 5.863 1.063 ( -2.690 0.478 1.194) 2.981 1.156 ( -3.468 5.013 5.511) 8.218 1.216 ( -5.130 1.496 0.336) 5.354 1.266 ( -3.624 -0.085 -1.201) 3.819 1.296 ( -4.526 0.731 0.869) 4.666 1.328 ( 2.447 1.621 3.231) 4.365 1.359 ( 1.438 -0.009 0.121) 1.443 1.371 ( 0.544 1.626 0.565) 1.805 1.394 ( 0.457 -1.009 0.741) 1.333 1.403 ( 0.807 1.724 3.985) 4.416 1.439 ( 1.077 -1.182 -1.323) 2.075 1.445 ( 0.824 1.228 -0.889) 1.725 1.480 ( 0.449 -1.228 0.276) 1.336 1.488 ( 2.602 -1.218 1.160) 3.098 1.522 ( 0.072 0.304 -0.194) 0.368 1.527 ( 0.771 -1.702 -0.463) 1.925 1.543 ( -0.167 -0.201 -1.703) 1.723 1.568 ( -0.384 0.037 0.510) 0.639 1.583 ( -1.543 0.275 -1.767) 2.362 1.610 ( -0.084 -0.364 0.518) 0.639 1.617 ( 0.324 -0.048 -0.383) 0.504 1.641 ( 0.419 -1.273 -0.820) 1.571 1.666 ( -0.167 0.696 -1.513) 1.674 1.691 ( 0.546 1.385 -0.031) 1.490 1.727 ( 1.361 -0.567 2.818) 3.181 1.770 ( -0.762 -0.785 1.710) 2.031 1.800 ( 2.576 0.970 2.418) 3.664 1.830 ( 1.880 0.250 5.910) 6.207 1.917 ( 3.733 -4.914 3.322) 7.009 1.956 ( 2.685 1.464 1.888) 3.594 2.033 ( 0.033 0.312 1.077) 1.121 2.046 ( -1.128 0.485 -0.331) 1.272 2.126 ( -1.164 2.438 -2.825) 3.908 2.179 ( 2.574 1.295 1.612) 3.301 2.214 ( 0.172 -0.175 0.275) 0.369 2.246 ( 1.110 0.182 -1.875) 2.187 2.284 ( -0.154 2.004 1.186) 2.333 2.323 ( 1.608 2.976 1.198) 3.588 2.342 ( 2.987 0.644 -3.177) 4.408 2.440 ( 4.358 -1.649 -1.874) 5.022 2.505 ( 0.270 -1.183 0.745) 1.424 2.580 ( 1.060 -1.634 -1.563) 2.497 2.619 ( -0.632 -0.749 -3.251) 3.396 2.675 ( 0.733 -2.470 -3.113) 4.041 2.683 ( 2.460 -2.271 0.913) 3.471 2.727 ( -5.173 1.375 0.411) 5.368 2.753 ( 2.728 -2.047 -7.278) 8.037 2.795 ( -3.729 1.400 3.386) 5.228 2.975 ( 3.038 1.379 2.954) 4.456 3.045 ( -5.122 1.516 0.289) 5.350 3.174 ( 3.297 0.794 -1.939) 3.907 3.230 ( 5.953 -4.931 3.474) 8.475 3.337 ( -4.821 -2.219 -0.271) 5.314 3.409 ( 3.880 -0.593 2.647) 4.734 3.423 ( -2.450 -0.841 1.710) 3.104 3.491 ( 1.988 -1.065 -0.582) 2.329 3.559 ( 2.438 0.890 -5.507) 6.088 3.602 ( 2.445 2.361 -0.113) 3.401 3.699 ( -1.697 -2.373 -0.496) 2.959 3.724 ( 0.239 2.489 0.321) 2.521 3.732 ( -2.230 -0.028 -1.986) 2.986 3.860 ( 2.586 1.785 1.580) 3.517 3.948 ( -4.273 1.280 -0.340) 4.473 3.953 ( -1.424 -4.044 -3.795) 5.726 3.978 ( -1.579 2.214 -0.361) 2.743 4.056 ( -2.455 1.272 -2.990) 4.072 4.107 ( 1.077 -0.651 2.085) 2.435 4.194 ( 1.137 1.204 -3.282) 3.676 4.253 ( -1.042 2.968 -3.133) 4.440 4.312 ( 1.482 0.578 1.497) 2.184 4.386 ( 2.932 2.501 2.381) 4.530 4.453 ( -1.389 1.294 6.200) 6.484 4.510 ( 0.152 2.705 5.283) 5.937 4.549 ( 5.115 1.712 1.568) 5.617 4.601 ( 1.521 7.587 -0.597) 7.761 4.647 ( 4.043 -2.662 -0.136) 4.843 4.735 ( 3.257 6.552 1.023) 7.388 4.762 ( -2.995 -2.037 -3.280) 4.887 4.875 ( 4.776 1.804 -5.828) 7.748 4.903 ( -5.351 -1.662 3.511) 6.613 4.957 ( -2.001 -1.131 -5.721) 6.166 5.084 ( -4.198 0.766 -2.500) 4.945 5.175 ( -2.691 -2.328 7.016) 7.867 5.201 ( 0.847 -0.987 1.554) 2.026 5.292 ( -2.186 -0.519 -1.143) 2.521 5.337 ( 0.091 -0.333 2.354) 2.379 5.392 ( 1.556 1.459 -3.501) 4.100 5.442 ( 3.100 1.401 -0.913) 3.522 5.458 ( 6.063 1.373 1.925) 6.508 5.482 ( 1.558 4.348 0.535) 4.650 5.590 ( -4.050 3.589 1.149) 5.532 5.650 ( 2.236 4.422 -0.839) 5.026 5.754 ( 0.752 -2.076 0.779) 2.342 5.826 ( 0.346 -1.019 -0.284) 1.113 5.959 ( 6.812 2.265 -1.941) 7.437 6.027 ( -2.933 2.107 -1.023) 3.753 6.115 ( 5.921 -4.571 2.153) 7.784 6.173 ( 0.838 -2.524 -0.100) 2.661 6.264 ( -2.784 0.070 0.585) 2.845 6.329 ( -2.806 -2.575 1.179) 3.987 6.426 ( -3.927 -1.167 -2.227) 4.663 6.440 ( -3.663 -4.736 -1.012) 6.072 6.901 ( 2.571 -2.278 -0.850) 3.539 6.933 ( 1.864 -3.588 0.499) 4.074 7.179 ( 1.402 -0.075 0.713) 1.574 7.265 ( -0.447 -1.628 0.541) 1.773 7.470 ( 6.348 3.855 2.166) 7.736 7.571 ( 6.637 6.989 -2.560) 9.972 7.727 ( -0.975 3.242 -0.369) 3.406 7.741 ( 0.336 3.296 0.452) 3.344 8.036 ( 0.356 -1.323 4.287) 4.500 8.131 ( 10.604 -0.473 -8.288) 13.467 8.228 ( -0.274 -1.463 0.696) 1.643 8.543 ( -0.852 -9.173 4.820) 10.397 8.821 ( -1.170 -1.811 1.205) 2.470 8.919 ( -0.534 -0.289 -0.676) 0.909 8.931 ( 2.993 0.057 -2.368) 3.817 9.010 ( 1.495 -0.105 -2.195) 2.658 9.114 ( -3.315 0.117 1.049) 3.478 9.176 ( -1.002 0.735 -2.581) 2.865 9.221 ( -5.056 2.362 7.144) 9.065 9.307 ( 1.030 0.386 4.122) 4.267 9.343 ( 1.310 0.557 1.729) 2.240 9.470 ( -0.302 -0.347 0.324) 0.563 9.511 ( -4.197 0.556 0.897) 4.328 9.603 ( 1.502 -1.030 -0.261) 1.840 9.619 ( -2.284 1.796 -0.490) 2.946 9.657 ( 1.753 -1.364 -3.667) 4.288 9.678 ( -2.327 -0.931 -3.192) 4.058 9.725 ( -0.089 0.302 -0.414) 0.520 9.850 ( 0.156 0.952 2.050) 2.266 9.872 ( 0.562 1.656 0.655) 1.868 9.916 ( -0.187 0.654 0.116) 0.690 9.961 ( 1.271 -0.099 -0.975) 1.604 10.020 ( -2.731 -0.675 3.080) 4.171 10.080 ( 0.743 -3.102 1.129) 3.383 10.108 ( -0.187 -4.278 -1.614) 4.576 10.172 ( 0.183 1.205 -0.793) 1.454 10.307 ( 1.232 -0.443 1.506) 1.995 10.421 ( 3.308 2.996 -2.598) 5.164 10.682 ( -1.182 -0.196 -0.194) 1.214 10.696 ( -0.520 0.072 -0.381) 0.648 10.809 ( 0.464 -1.938 0.092) 1.995 10.900 ( 3.542 -3.358 0.326) 4.892 10.959 ( -2.468 -0.940 -1.863) 3.232 11.007 ( -2.933 -1.686 1.256) 3.609 11.679 ( 11.165 -1.040 2.001) 11.390 11.758 ( 8.880 -2.211 -0.871) 9.193 12.567 ( 24.459 21.072 -9.309) 33.600 12.629 ( 23.418 19.950 11.658) 32.899 12.796 ( -37.539 6.342 -4.903) 38.386 13.328 ( -11.670 0.986 1.066) 11.760 13.742 ( -3.159 25.348 5.614) 26.154 14.195 ( -7.180 23.695 11.880) 27.462 15.235 ( 11.848 -1.761 0.070) 11.978 15.256 ( 8.547 -1.067 -0.535) 8.630 15.550 ( -4.465 -3.184 0.753) 5.536 15.586 ( -4.888 -3.862 1.487) 6.405 16.070 ( 4.380 -0.540 1.049) 4.536 16.186 ( 5.969 -1.752 -1.814) 6.480 16.539 ( -2.313 -2.575 1.305) 3.699 16.670 ( -0.804 -3.590 -0.718) 3.749 19.748 ( -6.646 -3.217 -7.067) 10.221 19.807 ( -3.135 -1.917 -7.454) 8.311 19.957 ( -8.660 4.197 -8.653) 12.941 20.002 ( -0.690 -6.474 -3.628) 7.454 20.219 ( 2.240 -5.272 12.327) 13.593 20.317 ( 0.298 -3.494 3.998) 5.318 20.403 ( 3.745 -2.070 -0.670) 4.331 20.523 ( 2.807 1.057 -0.334) 3.018 20.954 ( -4.666 4.092 -7.557) 9.779 21.211 ( 4.577 3.501 -5.455) 7.935 21.365 ( -1.919 -1.210 6.168) 6.572 21.437 ( 0.979 0.451 -0.320) 1.125 21.693 ( -2.246 -1.045 -6.489) 6.945 21.751 ( -1.406 -1.189 -8.635) 8.829 21.879 ( 0.588 0.470 2.243) 2.366 21.924 ( -1.116 1.119 -0.703) 1.729 22.020 ( 0.164 -1.367 3.415) 3.682 22.045 ( -0.119 0.016 5.103) 5.104 22.062 ( -0.841 -2.755 4.696) 5.509 22.265 ( 1.465 -2.212 -0.358) 2.677 22.294 ( 0.600 4.828 -3.443) 5.960 22.453 ( -0.650 0.343 -0.373) 0.825 22.520 ( -3.825 -6.664 9.547) 12.255 22.561 ( 0.736 -4.034 -4.576) 6.145 22.725 ( -0.321 -2.843 1.141) 3.080 22.737 ( 0.493 -3.638 0.486) 3.703 22.782 ( 0.556 -2.839 -0.090) 2.894 22.812 ( -0.008 -1.066 -0.129) 1.074 23.004 ( -0.985 2.585 -0.233) 2.776 23.017 ( -0.951 2.460 -0.266) 2.651 23.037 ( -0.459 1.452 0.874) 1.756 23.095 ( -0.021 1.373 1.484) 2.022 23.267 ( -1.573 -2.523 -3.178) 4.352 23.319 ( -1.602 -0.147 -0.602) 1.718 23.457 ( 0.462 -2.941 -1.822) 3.491 23.466 ( -2.546 -3.203 0.855) 4.180 ======================= Grid point 43 (21/44) ======================= q-point: (-0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -9.194 6.634 2.892) 11.700 0.618 ( -14.334 6.876 5.786) 16.918 0.768 ( 8.555 5.352 -7.445) 12.540 0.902 ( 11.209 4.147 -1.329) 12.026 0.942 ( -16.180 5.459 3.556) 17.442 1.007 ( 5.561 1.598 3.131) 6.578 1.056 ( 4.260 1.893 1.215) 4.817 1.087 ( 4.158 2.843 5.086) 7.158 1.186 ( -2.320 3.162 2.183) 4.489 1.206 ( -2.198 -0.224 -1.455) 2.645 1.273 ( -1.473 1.336 3.292) 3.846 1.336 ( 0.157 -0.383 -1.382) 1.443 1.358 ( -1.595 0.809 0.009) 1.789 1.382 ( -0.989 -0.663 0.917) 1.503 1.391 ( 0.512 2.144 -1.010) 2.425 1.436 ( -0.162 -0.173 0.910) 0.941 1.453 ( -2.632 0.695 2.226) 3.517 1.470 ( 1.467 -2.553 0.630) 3.011 1.475 ( 0.139 -0.639 -0.486) 0.815 1.490 ( 0.096 0.895 0.602) 1.083 1.508 ( -1.081 -0.564 -0.846) 1.484 1.527 ( -0.542 -0.053 -1.244) 1.358 1.540 ( 0.624 -0.661 -3.222) 3.348 1.556 ( 2.167 0.734 -0.764) 2.412 1.591 ( 0.470 -1.486 0.094) 1.561 1.613 ( 0.830 0.147 -1.256) 1.512 1.635 ( -0.542 -1.208 -0.075) 1.326 1.667 ( 1.362 0.844 -0.354) 1.641 1.676 ( -0.009 1.389 0.499) 1.476 1.681 ( 1.010 -0.576 1.304) 1.747 1.747 ( -1.853 1.093 0.829) 2.305 1.761 ( -0.872 1.159 0.050) 1.451 1.813 ( -4.012 0.305 4.949) 6.379 1.953 ( 0.694 0.146 7.024) 7.059 1.995 ( 2.348 -3.896 8.684) 9.804 2.025 ( 2.821 -1.326 1.237) 3.353 2.055 ( 1.746 -1.908 1.190) 2.847 2.066 ( 1.175 -3.583 1.548) 4.076 2.112 ( 0.701 -1.265 -0.088) 1.449 2.186 ( -0.117 -1.366 -2.944) 3.248 2.194 ( -1.128 2.604 -1.928) 3.431 2.233 ( 0.868 0.923 -3.171) 3.415 2.302 ( 0.268 1.512 0.116) 1.540 2.337 ( 0.835 1.545 0.185) 1.766 2.411 ( 2.344 -0.455 3.684) 4.391 2.467 ( -4.049 -2.874 -2.535) 5.575 2.494 ( 1.764 -0.502 -0.711) 1.967 2.531 ( -1.216 -2.871 -2.328) 3.891 2.578 ( -1.998 -2.021 -9.398) 9.818 2.590 ( 1.977 0.383 -5.475) 5.834 2.685 ( 0.342 0.823 0.458) 1.002 2.731 ( 0.912 -1.597 0.934) 2.062 2.760 ( -2.801 1.279 0.318) 3.096 2.797 ( 5.172 0.118 0.313) 5.183 2.968 ( -4.361 2.184 3.206) 5.837 3.057 ( 3.213 2.613 1.928) 4.568 3.179 ( -3.025 -0.847 4.672) 5.630 3.238 ( -5.275 2.061 0.161) 5.665 3.319 ( -3.813 -1.138 -0.926) 4.086 3.354 ( -1.764 -2.002 -4.086) 4.880 3.426 ( -3.484 1.828 1.463) 4.198 3.523 ( 3.399 -3.584 1.930) 5.303 3.573 ( 1.572 -2.193 -1.707) 3.193 3.630 ( 4.266 -0.445 -3.532) 5.557 3.699 ( -1.049 -2.584 0.492) 2.832 3.738 ( 2.859 -0.338 1.502) 3.247 3.762 ( 3.882 0.937 -0.414) 4.015 3.826 ( -6.946 0.157 -0.478) 6.965 3.862 ( -1.534 0.036 -7.482) 7.637 3.934 ( 4.101 1.613 2.446) 5.040 3.988 ( 0.512 -0.572 -0.180) 0.788 4.012 ( 1.180 3.141 -3.081) 4.556 4.120 ( -2.273 1.352 1.286) 2.941 4.178 ( 1.678 1.284 -2.446) 3.233 4.222 ( 0.112 2.985 -0.345) 3.007 4.334 ( 1.629 3.057 -3.476) 4.908 4.388 ( -5.282 6.923 2.482) 9.055 4.468 ( -5.280 1.759 9.454) 10.970 4.555 ( -3.626 -1.902 3.145) 5.163 4.568 ( 0.050 4.301 -0.259) 4.309 4.632 ( -7.350 1.377 0.917) 7.534 4.658 ( 2.749 1.843 1.716) 3.728 4.705 ( -0.302 -3.128 -4.630) 5.595 4.764 ( 3.588 2.531 3.061) 5.352 4.834 ( -3.535 -2.005 -2.087) 4.569 4.869 ( -1.163 2.178 -3.915) 4.629 4.991 ( 5.744 -1.052 1.784) 6.106 5.048 ( 4.770 -0.761 -4.652) 6.707 5.197 ( 0.280 -0.391 1.516) 1.590 5.203 ( -0.381 -2.256 1.141) 2.557 5.286 ( -0.875 1.800 2.831) 3.467 5.342 ( -0.907 0.389 0.859) 1.308 5.388 ( 2.382 1.622 -2.857) 4.057 5.440 ( -4.649 0.543 0.251) 4.688 5.510 ( -0.513 -0.105 0.670) 0.851 5.544 ( 2.655 3.651 -0.886) 4.600 5.573 ( 3.192 1.938 1.243) 3.935 5.638 ( -2.814 6.963 -0.899) 7.563 5.759 ( -2.786 1.015 1.450) 3.300 5.832 ( 1.029 -1.429 -0.468) 1.822 5.938 ( -2.991 -3.432 -1.588) 4.822 6.015 ( -0.143 4.263 0.012) 4.265 6.142 ( -4.264 -2.742 1.862) 5.401 6.209 ( 3.212 -4.276 0.210) 5.352 6.265 ( -4.701 -6.415 -1.433) 8.081 6.289 ( 0.271 0.486 1.694) 1.783 6.396 ( 2.536 -2.508 -1.515) 3.875 6.417 ( 6.765 0.853 -1.242) 6.931 6.889 ( -6.081 -3.965 -0.523) 7.278 6.953 ( 4.066 -2.319 0.150) 4.683 7.232 ( 0.829 -1.158 1.510) 2.076 7.252 ( -0.498 -0.834 -0.476) 1.082 7.423 ( -12.233 5.253 1.470) 13.394 7.596 ( 0.489 4.646 -1.540) 4.919 7.720 ( -1.330 3.272 -0.122) 3.534 7.745 ( 2.590 4.569 0.088) 5.252 7.990 ( -2.828 0.169 0.951) 2.988 8.214 ( 8.273 -0.352 -6.387) 10.457 8.401 ( 4.780 -5.989 7.065) 10.422 8.518 ( -3.468 -14.211 -1.312) 14.687 8.829 ( 0.302 -1.296 2.408) 2.751 8.907 ( 1.152 0.368 -3.321) 3.534 8.945 ( 0.995 -0.174 -0.607) 1.179 8.993 ( -0.111 -0.245 -3.387) 3.398 9.072 ( -2.652 1.572 0.575) 3.135 9.161 ( 1.886 1.289 -0.197) 2.292 9.226 ( -4.604 1.573 9.533) 10.703 9.364 ( 0.539 -0.388 2.955) 3.029 9.409 ( 2.884 -0.861 3.767) 4.822 9.447 ( 0.461 1.359 -0.660) 1.579 9.543 ( 2.720 -0.069 1.627) 3.170 9.575 ( -0.607 -1.666 -3.091) 3.563 9.600 ( 0.699 -0.322 -1.785) 1.944 9.633 ( 1.130 1.324 -4.024) 4.385 9.656 ( 0.850 -0.091 1.679) 1.884 9.698 ( -1.466 0.396 -2.857) 3.235 9.874 ( -0.182 2.219 1.050) 2.462 9.880 ( -0.281 -0.908 1.148) 1.491 9.917 ( -0.046 0.679 0.546) 0.872 9.965 ( 0.848 0.624 -1.439) 1.784 10.009 ( -2.266 -0.204 3.028) 3.787 10.094 ( -1.211 -2.206 1.711) 3.044 10.103 ( 1.089 -4.348 -1.604) 4.761 10.166 ( 0.584 0.880 -1.226) 1.618 10.309 ( -2.273 0.356 1.771) 2.903 10.415 ( -0.932 2.757 -3.018) 4.192 10.652 ( -1.030 -0.847 -0.196) 1.348 10.704 ( 0.922 0.353 -0.345) 1.046 10.836 ( 1.386 -2.588 1.391) 3.249 10.847 ( -3.334 -1.851 -1.436) 4.075 10.958 ( -2.696 -0.745 -0.687) 2.880 11.029 ( 5.709 -2.495 0.540) 6.254 11.672 ( -13.927 0.453 1.681) 14.035 11.762 ( -7.076 -2.493 -0.626) 7.528 12.309 ( -17.847 25.776 -0.399) 31.354 12.895 ( 27.536 -10.593 -7.929) 30.550 13.182 ( 18.310 -2.478 8.327) 20.266 13.232 ( 5.436 11.848 -1.645) 13.138 13.919 ( 12.041 24.899 17.103) 32.519 14.298 ( 8.953 26.082 2.936) 27.732 15.235 ( -9.631 -1.779 -0.121) 9.795 15.292 ( -6.219 -0.518 -0.023) 6.240 15.573 ( 3.069 -4.407 1.703) 5.633 15.597 ( 5.888 -2.380 1.810) 6.604 16.089 ( -4.109 -0.728 2.316) 4.772 16.172 ( -4.721 -2.010 -3.656) 6.300 16.552 ( 1.625 -2.761 2.555) 4.098 16.648 ( 0.627 -3.452 -2.674) 4.411 19.545 ( -4.503 2.282 -10.285) 11.457 19.604 ( -2.899 -0.428 -19.602) 19.820 19.783 ( -7.195 3.430 1.175) 8.057 19.982 ( -1.222 -2.057 1.294) 2.720 20.349 ( 0.993 -5.811 7.144) 9.262 20.375 ( 1.747 -3.443 4.840) 6.191 20.449 ( 2.944 -3.315 -0.438) 4.455 20.568 ( 1.551 -1.724 -0.249) 2.333 20.826 ( -6.136 3.872 0.680) 7.288 21.209 ( 4.559 1.428 -9.125) 10.300 21.423 ( 0.267 -1.653 6.458) 6.672 21.479 ( 3.826 1.064 1.096) 4.120 21.577 ( -2.699 0.698 -7.430) 7.935 21.654 ( 0.145 -0.057 -8.138) 8.140 21.899 ( -0.804 1.469 -0.311) 1.703 21.906 ( 0.883 2.201 0.899) 2.536 22.018 ( -3.678 1.138 3.670) 5.319 22.106 ( 1.976 -2.583 3.682) 4.912 22.127 ( 0.550 -1.605 5.324) 5.588 22.242 ( -0.111 -0.498 -2.428) 2.481 22.307 ( 1.306 2.505 -1.537) 3.216 22.360 ( -2.475 0.173 -5.363) 5.909 22.579 ( -1.739 -5.693 10.304) 11.900 22.618 ( 3.522 -2.975 1.324) 4.797 22.696 ( -1.407 -0.623 -4.756) 4.999 22.742 ( -0.923 -2.063 1.496) 2.711 22.790 ( 0.139 -2.045 0.595) 2.134 22.810 ( -0.086 -2.835 0.376) 2.861 22.990 ( -0.558 1.728 -0.183) 1.826 23.008 ( 0.220 3.089 -0.261) 3.108 23.045 ( 0.549 1.888 1.912) 2.742 23.089 ( -1.094 0.937 -0.432) 1.504 23.245 ( 0.861 -1.754 -0.910) 2.155 23.288 ( -0.033 -0.118 -2.664) 2.667 23.401 ( -4.374 -2.662 -0.574) 5.153 23.487 ( 3.394 -3.579 -0.282) 4.940 ======================= Grid point 44 (22/44) ======================= q-point: (-0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -6.559 19.424 -3.677) 20.828 0.453 ( -6.950 12.450 7.079) 15.919 0.691 ( -19.885 9.047 18.834) 28.844 0.892 ( 10.640 2.146 -3.288) 11.342 1.047 ( 1.598 0.982 -9.653) 9.833 1.081 ( 2.630 1.285 -8.117) 8.628 1.108 ( 8.232 1.914 0.409) 8.462 1.154 ( 8.181 4.008 -0.988) 9.163 1.207 ( 1.685 2.969 5.352) 6.349 1.248 ( 1.398 2.232 4.490) 5.206 1.281 ( -0.500 0.365 0.128) 0.632 1.327 ( -1.056 0.281 0.698) 1.297 1.343 ( -1.522 1.658 4.033) 4.618 1.369 ( -0.637 -1.326 0.381) 1.520 1.378 ( -1.601 3.199 -1.003) 3.716 1.411 ( -2.520 -0.380 -1.135) 2.790 1.428 ( -3.683 1.517 1.616) 4.299 1.439 ( -3.141 -0.739 -0.256) 3.237 1.486 ( 0.414 -1.038 0.267) 1.149 1.495 ( 0.555 0.647 0.151) 0.866 1.516 ( 0.172 0.007 0.130) 0.215 1.522 ( 0.967 -0.332 0.630) 1.201 1.537 ( 0.128 -0.594 -1.740) 1.843 1.568 ( 1.552 -1.279 -0.224) 2.024 1.587 ( -1.245 -0.434 -0.709) 1.497 1.604 ( 0.569 -1.699 -0.054) 1.793 1.639 ( 0.158 -0.352 0.155) 0.416 1.657 ( -0.376 -0.697 -1.529) 1.722 1.662 ( 0.469 2.101 -0.422) 2.194 1.691 ( -2.613 0.761 0.493) 2.766 1.727 ( 0.201 0.397 0.660) 0.796 1.748 ( -1.250 0.623 -0.244) 1.418 1.819 ( -3.007 0.677 7.701) 8.295 1.969 ( -5.075 -5.611 -1.928) 7.807 2.025 ( -1.458 -1.817 0.670) 2.424 2.056 ( -1.098 -2.577 -1.461) 3.160 2.071 ( 0.708 -3.375 -0.376) 3.469 2.101 ( 2.534 -0.898 -4.668) 5.387 2.119 ( 0.477 -3.120 -4.345) 5.370 2.151 ( 1.633 2.323 -0.257) 2.851 2.210 ( 1.346 0.273 -1.178) 1.809 2.217 ( 0.149 0.547 -0.347) 0.665 2.257 ( -2.718 -1.362 -5.951) 6.682 2.342 ( -0.821 0.687 -0.690) 1.273 2.391 ( 0.253 -1.812 1.057) 2.113 2.403 ( -5.462 0.586 -1.940) 5.826 2.447 ( -3.547 -2.001 -4.057) 5.748 2.474 ( -1.247 -1.957 1.648) 2.846 2.547 ( -4.123 1.006 -1.636) 4.548 2.566 ( 0.672 -2.210 1.393) 2.697 2.705 ( -0.247 -1.084 -2.890) 3.096 2.717 ( 1.332 -2.305 -0.423) 2.695 2.776 ( 0.884 2.114 3.555) 4.229 2.884 ( 4.826 0.568 0.881) 4.939 2.956 ( -1.043 3.515 0.903) 3.777 3.048 ( -9.670 2.403 -3.079) 10.429 3.106 ( -0.851 0.516 0.439) 1.087 3.197 ( -1.193 2.370 0.746) 2.757 3.284 ( -1.265 2.478 4.695) 5.458 3.348 ( -0.358 2.409 4.962) 5.528 3.393 ( -1.995 2.462 1.800) 3.644 3.477 ( -3.389 -1.232 -7.573) 8.388 3.594 ( 0.568 -2.466 -1.991) 3.219 3.633 ( -0.406 -3.680 0.833) 3.795 3.670 ( -2.525 -1.389 -4.846) 5.638 3.721 ( 3.187 -3.146 -3.311) 5.569 3.778 ( -1.841 1.822 1.446) 2.966 3.829 ( 2.428 1.657 0.421) 2.969 3.870 ( 4.160 -0.887 4.063) 5.883 3.961 ( -3.206 2.677 0.775) 4.248 4.021 ( 0.878 1.562 -0.964) 2.035 4.042 ( 5.381 1.495 1.485) 5.779 4.139 ( 5.086 1.996 2.325) 5.938 4.192 ( -0.356 2.570 1.535) 3.014 4.213 ( 0.870 2.937 -3.813) 4.891 4.316 ( 1.246 3.860 -2.280) 4.653 4.345 ( -3.555 6.966 3.994) 8.781 4.437 ( -5.926 -1.299 -1.586) 6.271 4.460 ( -4.196 4.429 0.543) 6.125 4.530 ( -3.166 -3.224 -2.404) 5.119 4.588 ( -6.126 -1.096 1.899) 6.506 4.644 ( -3.604 -0.422 4.395) 5.699 4.679 ( -1.722 0.467 -1.827) 2.553 4.764 ( -2.211 2.505 -3.343) 4.727 4.822 ( 1.583 1.943 2.610) 3.618 4.870 ( 5.169 0.725 -0.034) 5.220 5.055 ( 2.013 -3.006 -0.764) 3.697 5.088 ( 1.974 -2.510 -4.018) 5.132 5.205 ( 0.536 -4.503 0.577) 4.571 5.221 ( -0.211 0.472 0.984) 1.111 5.286 ( -3.133 2.036 2.633) 4.571 5.326 ( -4.736 1.227 2.995) 5.737 5.380 ( 0.412 -1.710 1.329) 2.205 5.421 ( 2.470 0.649 -1.925) 3.198 5.464 ( -4.102 0.055 -0.432) 4.125 5.522 ( -0.661 0.096 -4.555) 4.604 5.570 ( -3.797 4.073 1.459) 5.756 5.661 ( 3.611 1.425 -1.538) 4.176 5.736 ( 0.190 -1.834 0.606) 1.941 5.814 ( -2.163 -3.138 -3.668) 5.290 5.893 ( -1.688 -1.917 -1.333) 2.882 5.989 ( -2.921 -2.523 1.797) 4.257 6.097 ( -3.268 -4.307 1.386) 5.582 6.141 ( -0.757 -6.511 -0.545) 6.577 6.275 ( -0.287 -6.375 -0.857) 6.439 6.336 ( 1.182 -6.707 2.844) 7.380 6.459 ( 5.134 0.745 0.481) 5.210 6.531 ( 5.831 2.852 0.632) 6.521 6.769 ( -8.629 4.544 1.070) 9.811 7.023 ( 7.356 2.789 -5.047) 9.346 7.145 ( -6.113 2.476 -0.982) 6.668 7.279 ( -4.751 3.138 0.773) 5.746 7.284 ( 0.525 0.107 0.535) 0.757 7.564 ( -2.572 5.458 -4.631) 7.606 7.705 ( -0.589 4.563 0.403) 4.618 7.766 ( -1.423 4.301 -2.862) 5.359 7.988 ( 1.050 0.660 -0.199) 1.256 8.189 ( -17.448 -8.987 -12.093) 23.053 8.278 ( 4.432 -1.140 -0.831) 4.651 8.563 ( 1.563 -4.888 -0.134) 5.134 8.869 ( 0.491 -1.147 1.950) 2.315 8.890 ( 1.173 0.309 -2.803) 3.055 8.953 ( -0.175 -0.625 -2.170) 2.266 8.964 ( 1.092 0.179 0.398) 1.176 9.064 ( -0.012 0.759 2.550) 2.660 9.203 ( 2.580 1.754 -0.382) 3.143 9.257 ( -4.617 -2.981 9.628) 11.086 9.370 ( -0.704 -0.859 -0.327) 1.158 9.444 ( -1.713 -0.192 0.339) 1.757 9.482 ( 3.803 -0.235 -2.076) 4.339 9.554 ( 1.030 -2.073 1.296) 2.653 9.598 ( 1.201 -0.371 -1.718) 2.129 9.618 ( -2.244 0.565 -3.836) 4.480 9.631 ( 1.179 0.774 1.424) 2.005 9.669 ( 7.750 0.037 0.990) 7.813 9.713 ( 3.511 -0.754 1.634) 3.946 9.862 ( -2.272 -1.750 1.164) 3.095 9.883 ( -0.462 2.082 -0.075) 2.134 9.915 ( -0.843 -0.119 -0.007) 0.852 9.959 ( 0.440 0.648 -2.043) 2.188 10.018 ( -0.665 -0.590 3.860) 3.961 10.056 ( -3.865 -4.662 -0.568) 6.082 10.096 ( -1.162 -1.394 0.130) 1.819 10.180 ( 2.303 0.807 -0.421) 2.476 10.311 ( -0.346 3.751 0.719) 3.835 10.342 ( -3.262 4.044 -0.803) 5.257 10.666 ( 2.859 -0.393 0.245) 2.896 10.707 ( -0.827 0.588 0.659) 1.210 10.788 ( -2.513 -0.813 -0.244) 2.653 10.873 ( 0.626 -3.436 -0.258) 3.502 10.929 ( 0.383 0.153 1.274) 1.339 11.106 ( 3.565 -3.291 -0.748) 4.909 11.447 ( -12.617 7.729 1.486) 14.870 11.542 ( -17.311 -1.628 -1.854) 17.486 12.128 ( -8.111 31.123 1.601) 32.203 12.901 ( -11.128 3.496 -14.771) 18.821 13.467 ( 8.979 -3.283 1.215) 9.637 13.558 ( 40.621 8.412 -12.230) 43.248 14.352 ( 16.915 14.027 1.302) 22.013 14.370 ( 16.752 25.155 -23.789) 38.462 14.989 ( -20.097 0.635 0.282) 20.109 15.040 ( -22.282 1.341 -7.251) 23.471 15.650 ( 6.206 -4.256 -0.864) 7.575 15.716 ( 6.759 -1.881 -0.471) 7.032 16.001 ( -9.227 -1.795 1.167) 9.472 16.003 ( -9.158 -0.615 -2.367) 9.479 16.607 ( 0.380 -3.954 1.979) 4.438 16.644 ( 2.118 -2.293 -1.523) 3.473 19.488 ( 1.088 3.821 4.352) 5.892 19.521 ( 5.376 2.265 11.891) 13.245 19.743 ( -4.565 2.576 8.670) 10.131 19.996 ( -0.210 -0.031 4.044) 4.049 20.387 ( -1.295 -6.776 0.792) 6.944 20.426 ( -0.880 -7.330 -1.942) 7.633 20.492 ( 2.908 -4.627 1.218) 5.599 20.570 ( 2.033 -2.057 -3.162) 4.285 20.832 ( -1.893 0.426 18.674) 18.774 21.196 ( 5.812 1.229 -9.443) 11.156 21.420 ( -1.997 -2.877 -5.055) 6.150 21.534 ( 0.727 3.135 5.323) 6.220 21.567 ( 3.513 -3.763 -1.444) 5.346 21.605 ( 2.630 3.217 -1.656) 4.473 21.890 ( -0.081 1.764 0.109) 1.770 21.931 ( 1.258 3.102 -0.228) 3.355 21.997 ( -3.162 0.128 3.659) 4.838 22.148 ( -0.527 -2.816 -0.343) 2.885 22.180 ( 1.171 -1.585 4.839) 5.225 22.225 ( 0.059 0.050 -2.163) 2.164 22.267 ( -0.985 -0.279 -3.108) 3.272 22.346 ( 1.815 1.332 2.863) 3.642 22.565 ( -3.859 -3.688 -6.998) 8.801 22.665 ( -0.980 -3.485 2.894) 4.635 22.668 ( 0.635 -1.538 4.975) 5.246 22.746 ( -0.492 -1.239 1.502) 2.008 22.787 ( -0.268 -2.153 -1.755) 2.791 22.812 ( -0.207 -2.769 0.026) 2.777 22.983 ( -0.272 2.319 0.511) 2.390 23.016 ( 0.555 2.062 0.496) 2.192 23.067 ( -0.260 0.618 -0.816) 1.057 23.130 ( 5.491 0.534 4.710) 7.253 23.216 ( -2.246 -0.135 -2.358) 3.259 23.296 ( 1.829 -1.256 1.723) 2.809 23.345 ( -2.484 -1.668 1.787) 3.485 23.539 ( 2.435 -5.416 0.171) 5.941 ======================= Grid point 45 (23/44) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -5.159 12.395 7.857) 15.556 0.672 ( -2.835 15.603 3.172) 16.173 0.970 ( -2.456 3.148 -9.616) 10.412 1.044 ( 6.330 10.353 -1.841) 12.274 1.074 ( 1.507 7.753 -0.815) 7.940 1.150 ( 4.314 4.770 0.749) 6.474 1.209 ( -3.750 1.035 -1.113) 4.047 1.238 ( 0.307 1.174 0.369) 1.268 1.258 ( -3.490 0.503 1.045) 3.678 1.296 ( 1.363 0.217 1.099) 1.765 1.309 ( -3.394 -0.608 -0.564) 3.494 1.321 ( -2.949 0.496 0.934) 3.133 1.339 ( -0.600 0.221 1.467) 1.600 1.359 ( -0.525 -0.198 -1.276) 1.394 1.364 ( -1.111 -0.024 0.865) 1.409 1.402 ( 3.722 1.922 1.443) 4.430 1.414 ( 0.294 -0.267 0.145) 0.423 1.441 ( -1.077 0.395 0.575) 1.283 1.487 ( -1.691 -1.582 -1.367) 2.688 1.488 ( 1.881 -0.564 -2.544) 3.214 1.499 ( -1.744 -0.701 1.258) 2.262 1.530 ( -1.109 -0.776 0.605) 1.483 1.532 ( -0.857 -0.089 0.441) 0.968 1.539 ( -1.925 -1.966 0.288) 2.766 1.558 ( 1.543 -1.972 -0.449) 2.544 1.579 ( -0.858 0.657 0.900) 1.406 1.589 ( 0.551 -0.859 -1.038) 1.456 1.632 ( -0.911 -2.291 0.893) 2.622 1.690 ( 0.539 -0.138 -0.295) 0.629 1.726 ( -0.989 -0.303 -1.052) 1.475 1.731 ( -1.529 0.972 -4.596) 4.940 1.798 ( -3.062 0.573 0.354) 3.135 1.829 ( -1.568 3.795 -3.298) 5.266 1.903 ( -1.680 8.453 0.728) 8.649 1.939 ( -0.810 4.061 -0.527) 4.174 1.999 ( 3.573 -0.747 -3.581) 5.113 2.045 ( -0.986 -0.507 1.195) 1.630 2.072 ( 3.595 -1.132 0.823) 3.858 2.086 ( -0.970 1.864 1.862) 2.808 2.130 ( 4.947 2.672 -3.104) 6.423 2.151 ( -0.707 2.237 -5.468) 5.950 2.252 ( 0.814 2.936 -0.162) 3.051 2.279 ( 4.852 -2.181 -2.867) 6.043 2.296 ( 0.020 -0.230 0.619) 0.660 2.356 ( -0.414 -1.485 -0.819) 1.746 2.388 ( 3.092 -1.767 1.701) 3.946 2.436 ( -3.131 5.520 2.201) 6.717 2.496 ( 0.980 2.046 0.222) 2.279 2.520 ( 2.368 -0.252 -1.617) 2.879 2.602 ( 0.895 -0.592 3.169) 3.346 2.627 ( 1.346 -2.872 2.553) 4.071 2.682 ( -1.126 1.709 -2.653) 3.350 2.848 ( 1.153 1.439 0.245) 1.860 2.947 ( -2.871 -0.023 -6.939) 7.509 2.956 ( -0.919 -1.429 -0.484) 1.767 2.995 ( -1.577 -0.799 -1.833) 2.546 3.105 ( 0.170 4.417 2.679) 5.169 3.239 ( 1.519 0.250 0.444) 1.602 3.321 ( -3.747 1.270 -1.338) 4.177 3.400 ( 0.940 -0.201 1.705) 1.957 3.444 ( -2.528 3.155 1.201) 4.217 3.485 ( 1.317 -0.155 -2.341) 2.691 3.531 ( -0.994 0.291 -0.657) 1.227 3.589 ( 0.710 -0.846 -1.551) 1.904 3.698 ( 2.010 -1.257 0.895) 2.534 3.708 ( 4.026 4.850 4.302) 7.632 3.813 ( -0.667 2.453 -0.842) 2.678 3.867 ( -0.695 -1.115 4.574) 4.759 3.923 ( 1.196 0.959 -0.858) 1.757 3.980 ( -2.960 -1.311 -0.437) 3.267 4.081 ( -0.628 3.146 2.184) 3.881 4.144 ( 1.283 -2.534 0.666) 2.918 4.188 ( -1.481 -5.276 0.629) 5.516 4.232 ( 2.737 -2.037 -0.578) 3.461 4.248 ( 2.765 3.876 0.645) 4.805 4.287 ( -2.496 1.721 -3.223) 4.424 4.367 ( 1.751 -0.640 0.538) 1.940 4.390 ( -0.475 2.602 -0.088) 2.647 4.422 ( -0.378 -0.130 -2.979) 3.006 4.517 ( -3.108 4.549 0.150) 5.511 4.577 ( 2.183 5.597 4.930) 7.771 4.634 ( -2.726 1.920 -1.546) 3.675 4.687 ( -0.414 4.944 -0.363) 4.974 4.782 ( -1.244 -0.518 2.145) 2.533 4.888 ( 1.727 -2.013 1.213) 2.917 4.908 ( 0.210 -5.856 -5.343) 7.930 4.984 ( -1.685 -5.294 0.401) 5.570 5.053 ( 1.633 0.262 2.791) 3.244 5.125 ( -0.584 -4.378 -2.194) 4.932 5.139 ( 3.281 -0.104 5.369) 6.293 5.259 ( -0.868 -6.204 -0.371) 6.275 5.280 ( -0.844 -2.077 3.241) 3.941 5.370 ( -0.151 -3.386 -0.247) 3.399 5.412 ( -2.448 -1.300 1.819) 3.315 5.446 ( -1.519 3.331 -2.928) 4.688 5.480 ( 2.404 3.795 -3.313) 5.582 5.616 ( 2.741 -0.535 -4.007) 4.884 5.626 ( -3.276 1.921 -3.000) 4.840 5.651 ( 1.487 -2.617 -1.776) 3.495 5.738 ( 2.548 -2.695 -1.293) 3.928 5.787 ( 0.274 -6.014 -1.633) 6.237 5.844 ( 0.148 -4.837 -1.061) 4.955 5.981 ( 1.566 -9.560 4.951) 10.879 6.032 ( -4.121 -2.120 1.586) 4.899 6.120 ( -1.632 -10.374 1.838) 10.661 6.141 ( 2.068 -6.722 -0.041) 7.033 6.328 ( 1.529 -10.355 2.509) 10.764 6.447 ( -1.020 -8.790 -2.037) 9.080 7.101 ( -5.211 11.402 0.169) 12.537 7.159 ( 6.201 9.054 -1.115) 11.030 7.200 ( 0.493 1.656 3.066) 3.519 7.334 ( 0.963 4.066 -2.781) 5.019 7.396 ( -2.266 11.236 1.664) 11.582 7.581 ( -0.358 10.765 -7.598) 13.181 7.787 ( -0.108 2.975 0.404) 3.004 7.809 ( 0.436 3.322 -0.504) 3.388 8.038 ( 0.331 3.690 0.540) 3.744 8.082 ( -0.364 5.594 -1.490) 5.801 8.316 ( 2.851 -2.804 2.084) 4.509 8.423 ( -2.488 -5.167 -3.310) 6.621 8.850 ( -1.879 0.067 0.228) 1.894 8.891 ( 2.044 0.503 -2.638) 3.375 8.944 ( 0.924 -0.622 0.431) 1.195 8.973 ( -0.230 -0.734 -0.262) 0.813 9.118 ( -0.219 1.101 3.459) 3.636 9.219 ( -2.777 0.325 3.416) 4.414 9.271 ( 0.023 3.019 -0.320) 3.036 9.350 ( -0.976 -0.870 0.808) 1.537 9.385 ( -0.865 -1.456 -1.451) 2.230 9.482 ( -1.371 -1.479 -2.122) 2.927 9.513 ( 2.746 -0.879 -3.054) 4.200 9.553 ( -0.466 -1.597 -1.672) 2.358 9.631 ( 1.037 -0.176 1.788) 2.074 9.661 ( -0.363 -0.930 0.303) 1.043 9.711 ( -0.350 -5.558 3.855) 6.773 9.750 ( 0.087 1.969 2.683) 3.329 9.812 ( 1.731 -5.008 -0.792) 5.358 9.863 ( 0.486 2.224 -2.049) 3.063 9.924 ( -1.056 1.520 -0.914) 2.064 9.955 ( -0.249 0.725 -1.324) 1.530 10.009 ( 1.863 0.381 1.806) 2.622 10.033 ( -0.415 -0.336 2.631) 2.684 10.058 ( -1.486 -1.241 0.602) 2.028 10.168 ( -0.187 -1.812 -2.138) 2.809 10.371 ( -1.444 3.514 0.639) 3.852 10.417 ( 1.528 6.184 -1.488) 6.541 10.680 ( 0.415 -3.611 3.215) 4.853 10.721 ( -0.817 1.035 0.452) 1.393 10.750 ( 0.256 0.058 -0.847) 0.887 10.787 ( 0.201 -4.715 -1.213) 4.873 10.957 ( 0.505 -0.590 2.096) 2.236 11.044 ( -0.091 -3.969 -1.570) 4.269 11.675 ( -1.046 21.749 0.515) 21.780 11.699 ( 0.938 21.736 -0.511) 21.762 12.765 ( 0.704 23.264 2.740) 23.435 12.920 ( -0.384 -0.187 -3.199) 3.228 13.528 ( -2.099 8.130 3.628) 9.147 13.971 ( 5.788 15.471 -17.917) 24.370 14.568 ( -12.102 0.073 0.471) 12.112 14.647 ( 8.352 1.370 -3.200) 9.048 14.869 ( -2.742 16.541 -0.258) 16.769 15.006 ( 1.105 21.281 -11.572) 24.249 15.641 ( 1.804 -7.707 1.207) 8.007 15.709 ( -0.912 -8.085 -1.554) 8.284 15.820 ( -2.718 -0.569 1.078) 2.979 15.888 ( 1.676 2.076 -1.710) 3.169 16.485 ( -2.451 -8.875 2.772) 9.615 16.567 ( 1.530 -8.056 -1.055) 8.267 19.650 ( 0.656 2.910 6.912) 7.529 19.745 ( 4.197 -1.416 10.080) 11.010 19.868 ( -1.172 2.841 10.123) 10.579 19.996 ( -6.918 -2.988 5.156) 9.131 20.175 ( -0.752 -7.583 -3.794) 8.513 20.194 ( -3.090 -7.504 0.384) 8.124 20.453 ( 2.948 -0.769 -4.716) 5.614 20.523 ( 2.946 -2.150 -4.422) 5.732 21.026 ( 1.326 2.038 15.932) 16.116 21.261 ( 6.457 2.368 -4.505) 8.222 21.303 ( -1.822 -2.165 -1.766) 3.335 21.481 ( 2.198 -3.694 -3.374) 5.464 21.666 ( 0.618 2.930 1.182) 3.220 21.687 ( 1.606 1.255 3.957) 4.452 21.894 ( -2.276 -2.241 -3.919) 5.056 21.933 ( -1.030 1.187 -1.951) 2.505 22.002 ( -1.545 -2.241 -1.723) 3.222 22.070 ( -0.111 1.571 2.177) 2.687 22.176 ( -1.307 2.794 -2.474) 3.954 22.207 ( -0.583 -1.256 1.312) 1.907 22.273 ( 0.555 -0.903 -2.970) 3.153 22.373 ( 0.248 -4.528 1.003) 4.645 22.418 ( -0.060 1.692 -2.700) 3.187 22.595 ( 1.423 -4.279 -2.915) 5.370 22.653 ( -0.783 -3.741 -3.350) 5.082 22.685 ( -1.787 -3.519 -1.052) 4.085 22.745 ( 1.994 -0.404 3.698) 4.221 22.764 ( -1.489 -0.855 0.052) 1.718 23.046 ( -0.074 2.318 1.983) 3.051 23.074 ( -1.150 1.182 0.429) 1.704 23.078 ( 1.094 2.188 0.357) 2.472 23.139 ( -1.841 0.892 -1.671) 2.641 23.235 ( 2.748 -2.796 3.434) 5.211 23.292 ( -0.824 -2.882 0.617) 3.060 23.329 ( 1.074 -1.823 4.906) 5.343 23.424 ( -0.215 -5.593 0.278) 5.604 ======================= Grid point 46 (24/44) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -2.557 10.870 5.890) 12.625 0.703 ( -3.374 9.666 6.357) 12.051 0.848 ( 1.780 9.030 -4.846) 10.402 1.041 ( -0.712 4.468 -6.697) 8.083 1.078 ( -0.897 4.868 -5.530) 7.422 1.105 ( -7.254 5.629 3.967) 10.003 1.152 ( -4.924 4.635 0.843) 6.815 1.208 ( -3.125 1.057 1.479) 3.615 1.247 ( -3.391 0.833 0.066) 3.493 1.273 ( -2.218 -1.860 1.844) 3.432 1.295 ( 3.277 4.608 5.681) 8.015 1.334 ( 0.956 1.290 0.777) 1.784 1.354 ( -0.328 1.361 2.060) 2.490 1.372 ( 1.932 -0.078 0.837) 2.107 1.387 ( 1.352 -0.289 -1.672) 2.170 1.412 ( 0.668 -0.974 -0.066) 1.183 1.419 ( 0.199 -0.935 -0.329) 1.011 1.447 ( -0.854 0.539 0.720) 1.240 1.461 ( 0.672 -1.044 0.876) 1.519 1.478 ( -1.061 -0.150 0.854) 1.370 1.485 ( -0.053 1.172 -0.475) 1.266 1.510 ( 0.246 -1.648 0.606) 1.773 1.525 ( -0.428 -1.954 0.550) 2.075 1.548 ( 0.520 -0.472 -1.094) 1.300 1.582 ( 2.289 -0.204 -0.067) 2.299 1.602 ( 1.686 -3.822 1.166) 4.337 1.613 ( 0.423 -1.512 -1.790) 2.381 1.630 ( 1.993 -0.126 1.161) 2.309 1.673 ( 0.400 -0.821 -1.981) 2.181 1.695 ( -1.333 -2.416 -1.141) 2.986 1.730 ( -3.997 2.632 -0.539) 4.816 1.734 ( 0.571 0.948 0.946) 1.456 1.765 ( 0.782 -1.554 -1.819) 2.517 1.847 ( -1.157 7.767 0.484) 7.868 1.916 ( -2.550 7.339 1.029) 7.837 2.003 ( -0.176 4.893 -3.719) 6.148 2.049 ( 3.147 2.461 -0.955) 4.107 2.081 ( -1.213 3.651 3.037) 4.902 2.141 ( 4.095 0.512 -1.622) 4.434 2.197 ( 2.528 3.424 -2.306) 4.841 2.215 ( 5.918 -2.386 -2.915) 7.015 2.245 ( 1.974 0.099 -1.221) 2.323 2.330 ( 1.234 2.578 -3.275) 4.347 2.337 ( 3.391 1.153 0.312) 3.596 2.352 ( 1.857 1.509 -0.217) 2.402 2.370 ( 2.041 2.290 -0.763) 3.161 2.454 ( 2.102 0.028 -0.107) 2.105 2.545 ( 2.456 1.217 1.805) 3.282 2.578 ( 3.151 -0.041 -0.003) 3.151 2.594 ( 1.848 -0.811 -3.435) 3.984 2.679 ( -0.167 -1.795 1.410) 2.288 2.738 ( 2.650 1.645 5.653) 6.456 2.824 ( -1.303 0.322 -6.708) 6.841 2.883 ( 0.375 1.161 -0.469) 1.307 2.949 ( -0.542 -2.176 0.480) 2.293 2.953 ( 1.796 -2.465 0.958) 3.196 3.154 ( 1.301 -0.022 0.541) 1.409 3.212 ( -7.620 0.654 1.308) 7.759 3.280 ( 3.093 -1.268 -1.551) 3.685 3.394 ( -4.636 0.814 0.668) 4.754 3.453 ( 0.622 0.280 3.804) 3.864 3.483 ( 1.093 -1.086 -4.223) 4.495 3.490 ( -0.718 0.014 -0.079) 0.723 3.601 ( 3.006 -1.690 -0.719) 3.523 3.731 ( -1.025 0.042 0.433) 1.113 3.761 ( -1.236 0.878 2.337) 2.786 3.813 ( 1.834 2.354 -0.622) 3.048 3.853 ( -5.982 -1.719 0.521) 6.246 3.912 ( 0.511 1.102 -2.460) 2.743 3.948 ( -1.983 -2.269 2.815) 4.123 4.074 ( -0.125 -0.073 1.576) 1.583 4.091 ( -5.668 -2.225 0.219) 6.093 4.148 ( -3.051 1.495 -3.307) 4.741 4.213 ( 1.109 2.698 -0.341) 2.937 4.277 ( 1.175 -1.315 0.203) 1.776 4.374 ( 4.122 2.885 2.239) 5.507 4.381 ( -0.934 1.811 -0.780) 2.182 4.420 ( 7.238 2.258 -2.200) 7.895 4.474 ( 1.424 -0.659 -1.710) 2.321 4.478 ( 4.229 2.527 0.745) 4.982 4.578 ( -2.062 4.757 3.983) 6.538 4.689 ( 2.550 3.984 0.111) 4.731 4.738 ( 5.613 3.215 3.954) 7.581 4.785 ( 0.804 1.191 0.473) 1.512 4.872 ( 2.975 -3.404 -6.131) 7.618 4.913 ( -1.720 -3.106 -1.055) 3.704 5.000 ( -0.676 -5.348 4.604) 7.089 5.091 ( -0.678 -1.263 0.559) 1.539 5.133 ( 3.195 -3.457 2.888) 5.522 5.198 ( -1.820 -2.300 -4.813) 5.636 5.293 ( 3.609 2.199 3.778) 5.669 5.342 ( 2.169 -1.827 1.739) 3.327 5.368 ( 3.299 0.068 -3.680) 4.943 5.396 ( 1.332 1.517 -2.190) 2.978 5.412 ( 0.990 1.497 4.065) 4.444 5.536 ( 4.094 1.084 -0.616) 4.280 5.569 ( 2.429 2.338 -4.843) 5.901 5.648 ( 5.297 -0.365 -3.453) 6.334 5.705 ( 2.591 -4.575 1.912) 5.595 5.743 ( 4.004 -4.611 -3.355) 6.967 5.849 ( 7.617 -1.428 0.615) 7.774 5.861 ( 5.017 -3.987 -1.552) 6.593 5.987 ( -2.254 -3.653 1.978) 4.727 6.058 ( 2.599 -9.059 2.284) 9.698 6.096 ( -0.876 -9.945 0.359) 9.990 6.217 ( 4.068 -7.305 0.883) 8.408 6.383 ( -0.089 -9.488 1.209) 9.565 6.407 ( 0.806 -9.076 -1.255) 9.197 6.987 ( -8.276 11.354 1.162) 14.098 7.122 ( -8.690 7.601 -1.586) 11.653 7.222 ( -3.324 1.595 -0.458) 3.715 7.254 ( -2.619 0.860 -0.607) 2.823 7.452 ( 7.790 12.893 1.606) 15.149 7.629 ( 9.765 10.343 -2.311) 14.411 7.799 ( 0.922 4.048 0.812) 4.230 7.826 ( 1.776 2.890 -1.681) 3.786 8.014 ( -2.461 3.563 0.091) 4.331 8.092 ( 2.941 3.242 -1.286) 4.562 8.309 ( -6.684 -3.025 -3.745) 8.238 8.370 ( -0.107 -5.505 3.113) 6.325 8.818 ( -2.298 -0.016 0.533) 2.359 8.905 ( 2.121 0.713 -1.420) 2.650 8.939 ( -0.914 -0.276 -1.164) 1.506 8.979 ( 1.100 -1.638 0.221) 1.985 9.138 ( -2.037 0.554 3.262) 3.886 9.211 ( -0.129 0.834 0.202) 0.868 9.276 ( -1.957 3.034 4.586) 5.836 9.309 ( -2.297 0.172 -1.830) 2.942 9.359 ( -0.642 0.247 -1.281) 1.454 9.460 ( -0.224 -0.548 -0.367) 0.697 9.540 ( 2.840 -3.622 -1.553) 4.857 9.554 ( 1.927 -3.101 -0.051) 3.652 9.616 ( -4.673 0.035 0.671) 4.721 9.663 ( 0.715 0.075 0.161) 0.736 9.712 ( -1.714 -1.144 0.592) 2.145 9.744 ( -2.291 -1.339 0.814) 2.776 9.855 ( 2.242 -1.108 1.164) 2.759 9.868 ( 2.529 -0.493 -2.744) 3.765 9.900 ( -0.348 1.275 -0.401) 1.381 9.948 ( 0.203 0.683 -0.159) 0.730 10.021 ( -1.814 -2.230 -1.249) 3.134 10.034 ( -0.496 0.968 0.887) 1.404 10.047 ( -2.359 -2.386 2.917) 4.446 10.160 ( 1.533 -1.529 -0.877) 2.336 10.345 ( -1.338 4.830 0.545) 5.042 10.456 ( 3.605 4.235 -1.264) 5.703 10.689 ( -3.044 -2.819 2.612) 4.902 10.715 ( 0.212 0.716 -0.449) 0.871 10.767 ( 0.357 -2.574 -0.660) 2.682 10.781 ( 2.470 -1.713 -0.385) 3.030 10.977 ( -0.937 -1.475 1.620) 2.383 11.006 ( -2.123 -2.715 -1.798) 3.887 11.688 ( 3.041 18.663 0.017) 18.909 11.730 ( 3.938 15.800 0.074) 16.284 12.754 ( -8.415 6.328 2.589) 10.842 12.805 ( -9.750 -2.831 -2.840) 10.542 13.488 ( -5.993 24.929 5.385) 26.198 13.810 ( -0.520 25.051 -14.820) 29.111 14.321 ( -12.129 16.731 -0.181) 20.666 14.650 ( -6.161 8.693 -0.175) 10.656 14.997 ( 17.927 11.970 0.360) 21.559 15.100 ( 11.702 4.902 -2.437) 12.919 15.561 ( -8.322 -7.580 1.323) 11.334 15.599 ( -7.681 -4.090 -1.712) 8.869 15.925 ( 9.824 -0.450 1.230) 9.911 16.004 ( 10.343 -1.883 -1.089) 10.569 16.468 ( -2.592 -8.223 2.098) 8.874 16.573 ( 0.302 -7.862 -0.749) 7.903 19.740 ( -0.390 -1.610 8.918) 9.070 19.836 ( -3.337 -2.528 -2.390) 4.820 19.919 ( 0.435 -6.839 7.850) 10.421 19.949 ( -0.077 -4.072 -1.569) 4.365 20.131 ( -2.619 -2.254 1.853) 3.921 20.178 ( -5.563 -3.600 8.641) 10.889 20.430 ( 2.898 2.033 -8.012) 8.759 20.521 ( 3.341 -0.889 -5.758) 6.717 21.169 ( 0.621 4.061 1.333) 4.319 21.218 ( -2.316 -0.250 -0.189) 2.337 21.342 ( 4.085 3.306 0.874) 5.328 21.448 ( 0.572 -0.548 -5.951) 6.004 21.725 ( 1.075 -0.214 4.487) 4.619 21.761 ( 1.698 -2.391 1.837) 3.461 21.821 ( -2.044 -3.297 -1.870) 4.306 21.867 ( -0.589 -4.148 -3.971) 5.772 21.982 ( -0.968 0.931 2.124) 2.513 22.082 ( -0.835 3.886 -2.004) 4.451 22.107 ( -2.976 2.923 0.876) 4.262 22.201 ( 1.076 -2.270 -1.629) 2.994 22.308 ( 0.068 -4.867 5.575) 7.401 22.385 ( 1.778 0.522 -2.621) 3.210 22.409 ( 1.118 -0.973 0.784) 1.677 22.561 ( 0.101 -6.176 -7.055) 9.377 22.641 ( -0.472 -3.300 1.169) 3.532 22.652 ( -0.158 -3.573 -0.126) 3.578 22.735 ( -1.985 -0.695 0.775) 2.241 22.795 ( 1.258 -0.341 0.602) 1.435 23.054 ( -1.499 1.108 0.414) 1.909 23.061 ( -1.050 1.664 1.738) 2.626 23.095 ( 0.547 2.175 0.201) 2.251 23.110 ( -0.311 1.881 -0.077) 1.908 23.261 ( -1.675 -3.061 -0.659) 3.551 23.301 ( 0.662 -2.505 1.745) 3.124 23.385 ( 0.375 -3.051 2.641) 4.053 23.415 ( -0.262 -3.436 -0.915) 3.565 ======================= Grid point 47 (25/44) ======================= q-point: ( 0.40 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -2.933 8.789 3.736) 9.990 0.778 ( -1.303 6.527 11.403) 13.204 0.920 ( 4.854 11.499 1.510) 12.573 0.969 ( -2.133 7.654 1.231) 8.040 0.984 ( -3.953 5.623 2.861) 7.445 1.021 ( -1.646 6.864 -5.277) 8.813 1.121 ( -0.561 4.802 -0.379) 4.850 1.195 ( -0.275 0.029 3.045) 3.058 1.239 ( -0.767 0.615 1.095) 1.471 1.251 ( -1.633 -1.844 0.962) 2.644 1.330 ( -0.672 -1.849 0.798) 2.123 1.334 ( -1.009 0.618 -2.708) 2.956 1.375 ( -0.039 0.030 1.641) 1.641 1.388 ( -0.348 0.122 0.487) 0.611 1.403 ( 0.824 -1.111 0.893) 1.646 1.430 ( 0.032 -0.359 -0.994) 1.057 1.457 ( 3.412 0.282 -0.878) 3.534 1.466 ( -1.130 3.467 1.532) 3.955 1.480 ( 0.757 1.926 1.903) 2.812 1.492 ( -0.833 -0.136 0.987) 1.299 1.504 ( 1.139 -1.114 0.152) 1.601 1.523 ( 1.290 0.304 0.278) 1.354 1.524 ( -1.129 -0.950 -0.672) 1.621 1.538 ( 0.164 -0.459 3.582) 3.615 1.575 ( -0.635 -1.306 0.252) 1.474 1.604 ( -2.429 -1.624 1.887) 3.479 1.627 ( 2.705 1.762 -1.371) 3.507 1.651 ( -0.807 3.290 1.299) 3.628 1.688 ( -0.128 1.543 -0.965) 1.825 1.706 ( 3.631 0.485 2.571) 4.475 1.712 ( 0.933 -0.996 1.836) 2.287 1.771 ( 1.964 1.081 4.236) 4.793 1.790 ( -0.708 -1.054 3.787) 3.994 1.859 ( 0.873 3.168 0.547) 3.332 1.906 ( 0.840 3.877 -0.243) 3.975 1.994 ( 4.383 3.333 -4.058) 6.840 2.027 ( -1.205 -0.574 -1.982) 2.390 2.089 ( -2.816 3.815 -3.456) 5.867 2.156 ( 0.347 1.068 -0.670) 1.308 2.208 ( 1.382 1.853 -0.508) 2.367 2.223 ( 2.335 -0.082 -3.311) 4.052 2.262 ( -1.392 2.808 -1.355) 3.414 2.315 ( 1.922 0.374 -1.443) 2.432 2.365 ( 2.433 1.499 -1.336) 3.154 2.378 ( 2.175 1.137 -1.820) 3.055 2.438 ( 2.118 -1.028 1.788) 2.956 2.481 ( 1.104 4.168 -1.751) 4.654 2.550 ( 0.889 -1.435 -4.096) 4.430 2.611 ( 0.159 -1.975 -4.204) 4.648 2.627 ( 2.262 -0.351 -5.197) 5.679 2.675 ( 3.199 0.938 3.436) 4.787 2.732 ( 0.446 0.825 -1.350) 1.644 2.773 ( -4.956 2.883 -0.439) 5.750 2.854 ( -3.479 2.801 3.281) 5.542 2.983 ( 4.826 -0.650 2.576) 5.509 3.057 ( -1.614 -1.677 0.691) 2.427 3.135 ( -1.740 -3.380 3.760) 5.347 3.172 ( 3.896 -0.720 2.240) 4.552 3.292 ( -2.463 -2.063 -0.008) 3.213 3.357 ( -0.867 -3.131 3.678) 4.907 3.424 ( 0.169 -0.231 -2.528) 2.545 3.487 ( -0.074 0.635 2.789) 2.862 3.572 ( 2.767 -5.975 2.040) 6.893 3.596 ( 0.214 2.125 -3.661) 4.238 3.674 ( -3.651 1.026 -1.187) 3.974 3.725 ( -4.723 -0.603 1.105) 4.888 3.787 ( 1.973 2.789 -3.779) 5.095 3.872 ( 2.360 -0.579 4.367) 4.998 3.907 ( -0.354 -0.363 -1.145) 1.252 3.947 ( -0.081 -0.257 -0.720) 0.769 3.984 ( -4.740 -1.320 -1.884) 5.269 4.067 ( -1.338 -0.329 -2.426) 2.790 4.116 ( 1.239 1.552 1.128) 2.284 4.225 ( 0.098 1.756 -2.379) 2.959 4.306 ( -3.151 0.589 -3.396) 4.670 4.310 ( 2.342 -1.519 1.230) 3.051 4.436 ( 3.088 2.025 0.764) 3.771 4.459 ( 1.309 -0.208 -0.326) 1.365 4.526 ( 0.037 1.009 5.077) 5.177 4.579 ( 4.870 -2.047 -0.574) 5.314 4.634 ( 0.259 5.557 6.098) 8.254 4.689 ( 1.140 0.362 -1.421) 1.858 4.765 ( -2.253 0.791 -5.145) 5.672 4.863 ( 4.524 3.803 1.716) 6.155 4.875 ( -1.682 -0.254 0.377) 1.743 4.904 ( 2.690 2.928 2.028) 4.464 4.941 ( -3.086 -0.113 -3.892) 4.969 5.082 ( -5.393 -1.096 -3.401) 6.470 5.121 ( -0.574 -3.370 4.828) 5.916 5.192 ( 0.782 -0.251 0.450) 0.936 5.303 ( -0.524 1.565 -0.501) 1.724 5.353 ( -0.398 1.473 0.144) 1.532 5.409 ( 3.133 0.957 -2.428) 4.078 5.454 ( 2.843 -0.587 0.412) 2.932 5.484 ( 3.404 1.273 2.486) 4.403 5.570 ( 2.298 4.039 -1.095) 4.775 5.625 ( 1.470 -0.113 1.175) 1.885 5.695 ( 5.124 -0.844 0.578) 5.225 5.722 ( -1.267 -0.237 0.514) 1.388 5.774 ( 2.633 -2.956 -2.698) 4.790 5.933 ( 0.522 -7.974 -0.595) 8.013 5.985 ( 7.230 -2.621 -3.405) 8.410 6.034 ( 0.631 -4.596 0.677) 4.688 6.088 ( 9.047 -4.371 1.101) 10.108 6.181 ( 6.551 -7.566 1.147) 10.073 6.256 ( 2.320 -5.815 -0.611) 6.291 6.337 ( -5.369 -5.558 -0.795) 7.769 6.387 ( -5.964 -4.757 -0.248) 7.633 6.900 ( -3.545 4.430 1.137) 5.786 6.965 ( -4.979 6.440 -1.899) 8.359 7.174 ( -1.105 -0.234 0.976) 1.493 7.230 ( -1.821 -2.091 0.966) 2.936 7.597 ( 6.697 8.508 0.996) 10.873 7.743 ( 4.262 9.137 -1.915) 10.262 7.815 ( -0.289 3.646 -0.064) 3.658 7.820 ( -1.025 5.907 -0.323) 6.004 8.026 ( 1.120 0.645 3.668) 3.889 8.131 ( 4.546 0.719 -3.846) 5.998 8.190 ( -0.985 -2.424 -0.136) 2.620 8.359 ( -4.942 -8.633 2.314) 10.213 8.797 ( -1.151 -0.411 1.195) 1.709 8.911 ( -0.555 -0.168 -0.382) 0.694 8.931 ( 2.319 -0.086 -2.360) 3.310 8.994 ( 0.855 -1.595 -0.592) 1.904 9.125 ( -1.790 1.481 1.761) 2.915 9.201 ( -1.443 1.823 -1.493) 2.763 9.264 ( -1.161 1.154 2.199) 2.741 9.316 ( -0.505 1.290 4.602) 4.806 9.352 ( 0.263 0.230 0.699) 0.781 9.465 ( 1.110 0.091 -0.340) 1.164 9.530 ( -1.969 -0.500 -0.232) 2.045 9.567 ( -2.348 -1.971 1.319) 3.337 9.592 ( 1.397 -2.493 0.863) 2.985 9.655 ( -1.179 -1.039 -3.880) 4.186 9.676 ( 0.408 1.036 -1.262) 1.683 9.723 ( -0.623 -0.467 -1.016) 1.280 9.870 ( -0.798 0.620 0.993) 1.417 9.886 ( 2.280 -1.575 -1.729) 3.266 9.919 ( 1.512 0.066 0.200) 1.526 9.952 ( -0.181 -0.207 0.600) 0.660 9.991 ( -0.123 -4.438 -0.188) 4.444 10.021 ( -1.195 -1.067 -0.023) 1.602 10.042 ( -1.582 -0.079 2.846) 3.257 10.169 ( 0.339 -1.526 -1.167) 1.951 10.347 ( -0.402 3.862 1.826) 4.291 10.484 ( 2.612 3.218 -3.058) 5.150 10.655 ( -3.802 -2.206 1.970) 4.817 10.710 ( 1.109 0.275 -2.048) 2.346 10.766 ( 0.112 -1.771 0.657) 1.892 10.824 ( 1.560 -3.623 -0.497) 3.976 10.949 ( -0.513 -0.120 -0.636) 0.825 10.978 ( -1.622 -1.240 0.499) 2.101 11.780 ( 6.771 10.467 0.233) 12.468 11.819 ( 5.051 8.026 0.090) 9.483 12.552 ( -13.659 -9.745 1.009) 16.809 12.601 ( -9.191 -11.176 -1.984) 14.606 13.493 ( -2.788 41.713 6.228) 42.267 13.734 ( 6.088 32.801 -9.701) 34.743 14.242 ( -2.550 21.672 7.449) 23.058 14.600 ( -0.422 13.175 1.675) 13.288 15.243 ( 7.932 0.027 -0.795) 7.972 15.249 ( 9.130 5.401 2.044) 10.803 15.464 ( -4.722 -5.587 1.603) 7.489 15.493 ( -4.338 -4.263 1.500) 6.265 16.056 ( 3.959 -0.198 1.158) 4.130 16.132 ( 5.861 -3.417 -1.354) 6.918 16.450 ( -1.729 -6.772 1.688) 7.190 16.559 ( -0.784 -7.954 -0.994) 8.054 19.707 ( -4.322 -0.538 -3.864) 5.822 19.772 ( -2.003 -1.086 -7.912) 8.234 19.896 ( -1.545 -4.468 6.099) 7.717 20.027 ( -7.844 3.017 -3.739) 9.198 20.076 ( 2.566 -8.929 9.523) 13.304 20.209 ( -2.554 -5.099 8.351) 10.113 20.411 ( 4.018 1.614 -6.803) 8.065 20.525 ( 3.342 -0.843 -4.285) 5.499 21.043 ( -4.628 4.813 -7.905) 10.348 21.268 ( 2.015 1.134 -1.992) 3.052 21.348 ( 0.406 0.182 -2.542) 2.581 21.454 ( 2.837 0.846 -0.842) 3.078 21.687 ( -1.297 0.875 -5.304) 5.530 21.720 ( -1.527 -1.346 -5.068) 5.462 21.863 ( 1.427 -2.702 5.770) 6.529 21.922 ( 1.995 -3.416 7.145) 8.167 21.980 ( -1.373 1.418 0.261) 1.991 22.060 ( 1.615 1.923 -0.628) 2.589 22.090 ( -3.598 3.108 4.373) 6.460 22.207 ( 1.380 -2.605 -1.411) 3.269 22.342 ( -0.018 -4.012 1.124) 4.167 22.397 ( -0.417 -0.401 3.768) 3.812 22.473 ( 2.285 -3.784 -6.241) 7.648 22.480 ( 1.171 0.298 1.574) 1.984 22.649 ( 1.021 -3.954 0.708) 4.145 22.677 ( -0.307 -2.995 3.525) 4.636 22.725 ( -0.363 -1.909 1.192) 2.279 22.798 ( -0.421 -0.792 -1.289) 1.570 23.034 ( -1.108 1.511 -0.052) 1.875 23.057 ( -0.463 1.701 0.449) 1.819 23.096 ( -0.225 2.584 -0.445) 2.631 23.112 ( -0.553 0.457 0.766) 1.049 23.224 ( -0.580 -1.431 -2.070) 2.583 23.309 ( -0.963 -0.973 0.260) 1.394 23.380 ( -0.642 -3.793 -1.655) 4.188 23.406 ( -0.374 -3.055 -0.759) 3.170 ======================= Grid point 48 (26/44) ======================= q-point: (-0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.831 13.054 6.908) 14.792 0.804 ( -8.745 11.729 9.950) 17.693 0.934 ( 3.290 10.241 -9.066) 14.067 0.992 ( 6.047 4.829 2.980) 8.292 1.044 ( 2.901 3.166 4.730) 6.388 1.095 ( 4.568 2.064 4.900) 7.010 1.128 ( 1.988 7.428 -1.503) 7.835 1.181 ( -3.802 5.510 -2.510) 7.149 1.224 ( -1.997 0.874 1.701) 2.765 1.238 ( -1.719 4.073 -0.029) 4.421 1.298 ( -0.822 0.537 2.312) 2.512 1.325 ( -1.228 0.423 1.747) 2.177 1.360 ( -1.011 0.378 -0.215) 1.101 1.391 ( 0.314 -2.257 0.286) 2.297 1.400 ( -0.872 -0.369 -0.402) 1.029 1.416 ( -1.568 0.438 -0.820) 1.823 1.447 ( 0.374 0.198 1.527) 1.585 1.459 ( -1.819 0.075 0.154) 1.827 1.474 ( -1.476 -0.413 0.411) 1.587 1.491 ( 0.078 -2.166 -1.829) 2.836 1.510 ( -0.131 0.077 0.545) 0.566 1.515 ( 1.146 -2.304 0.307) 2.592 1.541 ( -0.728 0.103 0.859) 1.131 1.563 ( 1.106 -0.835 0.671) 1.539 1.585 ( -0.543 0.546 -0.102) 0.776 1.602 ( 0.531 -0.619 1.082) 1.355 1.633 ( -0.892 2.448 -1.233) 2.882 1.683 ( 0.613 0.986 -0.543) 1.282 1.701 ( 0.467 2.784 3.580) 4.559 1.751 ( -0.376 1.346 3.172) 3.466 1.757 ( -0.290 2.853 3.544) 4.559 1.811 ( -0.335 6.704 -0.430) 6.726 1.825 ( -2.384 0.970 4.894) 5.530 1.912 ( 0.406 -4.124 7.012) 8.145 1.933 ( 1.594 -1.492 2.280) 3.157 1.969 ( -3.508 -1.936 -0.914) 4.110 2.018 ( 3.798 0.241 -3.207) 4.976 2.045 ( 1.894 -0.205 -1.841) 2.649 2.137 ( -0.043 3.352 -2.321) 4.077 2.172 ( 0.261 0.650 -3.907) 3.970 2.222 ( -0.550 -1.456 -3.180) 3.540 2.243 ( 1.002 -1.660 -4.806) 5.182 2.322 ( -1.386 -0.791 -0.849) 1.808 2.366 ( 0.678 2.184 -1.046) 2.515 2.374 ( 0.144 -0.357 -2.516) 2.545 2.427 ( -3.541 0.341 -2.795) 4.524 2.461 ( 0.578 -1.431 -4.399) 4.661 2.513 ( 0.914 -1.611 -6.517) 6.775 2.531 ( -0.502 0.675 0.342) 0.908 2.621 ( -0.831 1.207 -2.619) 3.001 2.676 ( -3.845 -0.183 0.976) 3.971 2.762 ( 4.664 4.349 2.414) 6.819 2.819 ( -0.965 3.015 2.100) 3.799 2.835 ( 1.822 2.242 0.549) 2.940 2.993 ( -2.763 -0.232 2.799) 3.939 3.088 ( 2.723 -0.334 1.574) 3.163 3.161 ( -0.395 -0.423 5.943) 5.971 3.260 ( -4.596 -0.861 0.528) 4.705 3.311 ( 5.258 1.107 4.190) 6.814 3.326 ( -1.240 -1.503 -2.373) 3.070 3.441 ( 0.203 -0.401 0.702) 0.834 3.502 ( -1.577 0.508 0.943) 1.906 3.526 ( 2.747 -1.699 -2.214) 3.916 3.614 ( 0.705 -1.297 -1.132) 1.861 3.651 ( -4.613 -1.273 1.062) 4.902 3.716 ( 3.455 -0.901 0.245) 3.579 3.786 ( 1.399 2.027 -2.093) 3.232 3.857 ( -1.780 2.354 -2.218) 3.692 3.891 ( -1.245 2.605 -3.775) 4.753 3.952 ( 3.016 -1.081 2.245) 3.912 3.972 ( 1.476 -0.854 2.550) 3.068 4.052 ( 1.345 0.558 -3.332) 3.637 4.132 ( -0.736 -0.196 1.785) 1.941 4.207 ( 1.406 1.323 -3.030) 3.593 4.244 ( -1.296 -1.448 -0.587) 2.030 4.354 ( 2.691 -2.141 -1.663) 3.820 4.447 ( -4.956 0.609 3.696) 6.212 4.474 ( -2.679 -0.712 2.268) 3.581 4.532 ( -0.986 -0.302 0.332) 1.084 4.609 ( -0.851 -0.830 -2.181) 2.484 4.633 ( -0.509 0.332 -2.410) 2.486 4.671 ( -3.706 0.786 1.249) 3.989 4.747 ( -0.611 6.889 4.404) 8.199 4.809 ( -3.945 1.928 1.158) 4.541 4.878 ( 1.311 3.704 0.950) 4.043 4.921 ( 0.147 3.540 -0.504) 3.578 4.986 ( 0.922 0.771 -2.742) 2.994 5.007 ( 2.596 -2.050 -2.658) 4.243 5.114 ( -2.991 -5.500 1.723) 6.494 5.219 ( 3.031 0.175 -0.312) 3.052 5.316 ( -2.694 0.883 2.758) 3.955 5.346 ( -0.474 0.257 1.536) 1.628 5.417 ( 2.570 1.239 -2.590) 3.853 5.448 ( -3.476 0.285 -0.838) 3.587 5.525 ( -2.233 0.879 -0.106) 2.402 5.588 ( 2.098 0.346 -0.899) 2.309 5.617 ( -2.136 1.010 3.122) 3.915 5.693 ( -0.742 1.205 -2.421) 2.805 5.768 ( 1.302 -3.504 1.028) 3.877 5.797 ( 1.314 0.091 -1.572) 2.051 5.860 ( -8.215 -3.185 -0.237) 8.814 6.010 ( -2.630 -6.720 -3.630) 8.078 6.058 ( -5.959 -4.994 -0.388) 7.784 6.072 ( 1.807 -7.564 1.458) 7.912 6.143 ( -14.043 -4.589 2.427) 14.972 6.227 ( -5.108 -6.397 -1.068) 8.255 6.329 ( 3.487 -6.039 -0.637) 7.003 6.394 ( 7.279 -4.307 -0.324) 8.464 6.894 ( 2.368 5.806 0.975) 6.346 6.966 ( 6.587 4.097 -1.661) 7.933 7.207 ( 1.431 -0.878 1.303) 2.125 7.232 ( 2.664 -1.125 0.528) 2.940 7.587 ( -9.881 10.468 0.987) 14.429 7.724 ( -0.888 7.550 -1.646) 7.778 7.800 ( -0.967 5.078 -0.082) 5.170 7.843 ( 3.688 3.892 -0.353) 5.374 8.019 ( -1.806 3.140 2.277) 4.279 8.203 ( 6.842 -1.128 -4.507) 8.270 8.243 ( -7.439 -7.758 0.541) 10.762 8.320 ( 6.704 -6.802 3.384) 10.132 8.810 ( 0.691 -0.381 2.060) 2.206 8.900 ( 1.416 -0.940 -3.319) 3.729 8.943 ( 0.582 0.038 0.634) 0.862 8.985 ( -0.632 -0.667 -1.905) 2.115 9.112 ( -2.170 2.732 0.580) 3.537 9.190 ( 2.119 1.685 0.542) 2.761 9.265 ( -3.567 2.073 4.273) 5.940 9.349 ( 0.201 -0.902 1.271) 1.572 9.387 ( 1.963 -1.239 2.907) 3.720 9.469 ( 1.029 0.765 -0.261) 1.308 9.535 ( 0.128 -1.181 -1.263) 1.734 9.555 ( -1.287 -1.651 1.691) 2.691 9.581 ( 2.431 0.211 -1.890) 3.087 9.638 ( 0.333 -1.365 0.596) 1.526 9.671 ( 1.182 1.246 -2.370) 2.927 9.690 ( -1.311 -0.769 -2.374) 2.819 9.854 ( -1.665 -1.804 -0.121) 2.458 9.913 ( 2.236 -0.251 -0.866) 2.411 9.929 ( -0.637 0.599 0.928) 1.275 9.948 ( -0.663 -1.842 0.312) 1.982 9.999 ( -0.866 -1.855 -0.461) 2.098 10.015 ( 1.150 -1.541 0.270) 1.942 10.053 ( -0.906 -1.248 3.263) 3.609 10.158 ( 0.860 -1.604 -1.707) 2.495 10.360 ( -0.504 3.926 2.362) 4.609 10.479 ( 0.989 3.782 -3.941) 5.551 10.622 ( -1.993 -2.188 1.652) 3.389 10.716 ( 1.648 0.305 -1.361) 2.160 10.776 ( -0.188 -2.814 1.162) 3.050 10.805 ( -1.682 -2.127 -1.086) 2.921 10.950 ( -1.288 -0.136 -0.416) 1.360 10.986 ( 3.576 -1.745 0.317) 3.992 11.786 ( -6.510 10.510 0.234) 12.365 11.815 ( -5.382 7.918 0.084) 9.575 12.534 ( 9.895 -5.540 0.446) 11.349 12.611 ( 13.007 -13.872 -1.392) 19.067 13.478 ( -4.515 34.268 4.203) 34.819 13.781 ( 9.880 32.460 -7.394) 34.727 14.355 ( 3.560 16.824 11.066) 20.450 14.650 ( 5.750 8.673 -2.653) 10.739 15.230 ( -9.650 2.000 0.212) 9.858 15.318 ( 0.176 3.452 0.633) 3.514 15.466 ( 0.105 -5.372 2.749) 6.035 15.541 ( 6.897 -2.693 1.793) 7.618 16.061 ( -5.091 -1.411 1.747) 5.564 16.122 ( -4.930 -2.811 -1.978) 6.011 16.457 ( 0.049 -7.084 2.553) 7.530 16.546 ( 1.168 -7.332 -2.052) 7.703 19.617 ( -1.875 5.055 -3.480) 6.417 19.642 ( -2.141 4.484 -7.777) 9.229 19.864 ( -7.842 4.356 -0.141) 8.972 19.947 ( -1.430 -2.002 7.255) 7.661 20.193 ( 1.346 -9.459 6.097) 11.334 20.244 ( -1.221 -8.668 4.223) 9.719 20.416 ( 3.742 -0.158 -4.702) 6.011 20.528 ( 2.167 -2.486 -4.330) 5.443 20.917 ( -4.719 5.393 -1.283) 7.280 21.239 ( 4.115 1.019 -10.116) 10.969 21.343 ( -0.881 -5.152 0.059) 5.227 21.466 ( 2.842 -2.567 -5.372) 6.597 21.646 ( -0.138 5.392 -0.628) 5.430 21.676 ( -0.081 3.007 -1.473) 3.350 21.921 ( 0.323 -0.502 3.517) 3.568 21.959 ( -0.574 2.464 0.068) 2.531 22.023 ( 1.293 -2.716 4.757) 5.628 22.047 ( -1.505 0.418 0.120) 1.567 22.126 ( 0.377 0.794 5.130) 5.205 22.221 ( 0.949 -0.807 0.685) 1.422 22.316 ( -0.636 -2.107 -5.041) 5.501 22.406 ( 1.384 3.810 -5.436) 6.781 22.454 ( -1.515 -5.982 7.595) 9.786 22.566 ( 2.890 -2.399 2.587) 4.561 22.666 ( 0.577 -2.507 -1.568) 3.013 22.707 ( 0.383 -1.423 2.588) 2.978 22.743 ( 0.338 -2.217 0.982) 2.448 22.761 ( -2.075 -1.961 -0.666) 2.932 23.024 ( -0.059 1.746 0.230) 1.762 23.057 ( 0.193 2.287 -0.313) 2.317 23.086 ( -0.107 1.061 -0.330) 1.116 23.102 ( -0.342 0.719 -0.211) 0.824 23.218 ( 0.570 -0.649 0.835) 1.201 23.280 ( -0.923 -0.457 -2.583) 2.781 23.342 ( -2.787 -3.146 -0.531) 4.236 23.398 ( 1.112 -4.935 -1.126) 5.182 ======================= Grid point 49 (27/44) ======================= q-point: (-0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -7.074 11.824 7.147) 15.522 0.728 ( -6.307 16.066 -0.417) 17.265 0.937 ( 3.181 9.316 0.003) 9.844 1.030 ( -0.105 14.675 1.237) 14.728 1.062 ( 1.141 2.608 -4.330) 5.182 1.131 ( 2.687 2.241 -3.303) 4.812 1.164 ( 5.560 4.564 0.359) 7.202 1.220 ( 2.125 0.235 1.417) 2.565 1.253 ( 3.738 1.286 1.031) 4.085 1.280 ( 2.820 2.713 0.584) 3.956 1.307 ( 0.013 -0.649 1.653) 1.776 1.328 ( -0.741 0.411 0.677) 1.085 1.355 ( -2.677 1.838 -0.190) 3.253 1.370 ( -0.462 -0.170 1.302) 1.392 1.388 ( -0.027 -1.559 0.637) 1.685 1.391 ( -1.102 -0.831 -0.606) 1.507 1.420 ( -2.517 -0.336 0.058) 2.540 1.468 ( -0.160 0.266 -0.483) 0.574 1.478 ( -0.024 0.055 0.290) 0.296 1.486 ( -0.010 -2.734 0.605) 2.800 1.504 ( 0.437 -0.659 0.352) 0.865 1.528 ( 0.188 -0.656 0.049) 0.684 1.547 ( -0.743 -2.338 0.818) 2.586 1.562 ( -0.802 0.585 0.412) 1.075 1.572 ( -1.818 -0.059 0.395) 1.861 1.580 ( -1.651 0.453 -0.850) 1.911 1.624 ( -1.687 -0.806 -0.013) 1.870 1.645 ( -1.541 -0.877 -1.166) 2.122 1.721 ( -3.885 2.864 -0.925) 4.914 1.750 ( 1.476 4.375 3.225) 5.632 1.758 ( -2.140 2.479 -0.565) 3.323 1.795 ( 2.850 7.969 1.235) 8.552 1.847 ( -4.188 2.750 4.207) 6.542 1.916 ( -1.178 1.574 -0.978) 2.196 1.961 ( -0.056 -3.480 -1.370) 3.740 1.990 ( 2.366 -3.987 3.344) 5.717 2.011 ( 0.360 -3.559 -4.734) 5.934 2.038 ( -0.259 -3.368 -4.924) 5.971 2.133 ( 2.523 2.437 -1.027) 3.655 2.172 ( 0.297 -2.154 -0.627) 2.263 2.186 ( -1.065 -0.652 0.815) 1.491 2.235 ( 0.460 -1.139 -3.763) 3.958 2.258 ( 2.786 0.203 -1.835) 3.342 2.328 ( -5.626 0.961 -1.675) 5.948 2.338 ( -1.380 -1.325 -0.401) 1.955 2.376 ( 0.041 -0.385 -0.967) 1.042 2.461 ( -0.761 2.077 -1.254) 2.543 2.500 ( -2.217 2.298 1.740) 3.637 2.509 ( 3.402 -2.557 1.183) 4.417 2.572 ( -1.967 1.318 -3.627) 4.331 2.649 ( -2.725 -2.177 1.255) 3.707 2.744 ( -2.227 3.087 -3.687) 5.299 2.836 ( -1.047 3.433 3.708) 5.161 2.912 ( 4.994 0.166 0.804) 5.061 2.999 ( -0.445 -0.555 0.569) 0.911 3.080 ( -4.021 0.154 -4.122) 5.761 3.139 ( -4.209 3.481 0.609) 5.495 3.223 ( -0.300 0.976 2.224) 2.447 3.314 ( 2.049 0.064 -0.986) 2.274 3.411 ( 2.118 2.167 0.891) 3.159 3.453 ( -0.170 3.433 4.271) 5.482 3.489 ( -1.738 1.363 -5.165) 5.618 3.538 ( 0.986 -4.060 3.983) 5.772 3.574 ( -3.401 0.220 -0.629) 3.466 3.644 ( 2.803 -1.421 -0.774) 3.236 3.704 ( -0.232 2.391 -4.601) 5.191 3.815 ( 1.274 0.324 2.801) 3.094 3.835 ( 0.146 1.643 -0.686) 1.786 3.897 ( 1.206 2.969 2.508) 4.070 4.008 ( 0.346 0.685 0.086) 0.773 4.048 ( 6.051 -1.290 1.542) 6.376 4.054 ( 2.332 0.860 -0.680) 2.577 4.142 ( 1.785 -1.273 1.051) 2.431 4.217 ( 2.298 0.608 -0.938) 2.556 4.231 ( 0.002 -2.389 -1.188) 2.668 4.350 ( -0.845 0.890 -1.033) 1.605 4.388 ( -4.988 -0.185 -2.929) 5.788 4.430 ( -2.425 -2.779 3.503) 5.087 4.508 ( -5.621 0.776 -2.600) 6.242 4.520 ( -1.925 3.528 2.314) 4.637 4.593 ( -3.329 0.443 -0.997) 3.503 4.671 ( -1.954 0.991 2.777) 3.537 4.722 ( -4.026 6.117 1.530) 7.481 4.795 ( -2.485 3.267 2.721) 4.925 4.891 ( -1.634 3.232 -3.152) 4.801 4.947 ( 4.451 5.679 4.035) 8.267 4.962 ( 1.160 -5.876 -3.547) 6.961 5.025 ( -1.595 -3.444 0.113) 3.798 5.084 ( -0.714 -6.323 0.432) 6.377 5.215 ( -4.577 -1.769 -1.322) 5.082 5.270 ( -1.548 -4.348 0.909) 4.704 5.334 ( -6.998 -0.656 2.786) 7.561 5.394 ( -2.274 1.773 -0.466) 2.920 5.427 ( -2.994 -2.900 1.222) 4.344 5.447 ( 2.336 1.039 -3.533) 4.361 5.564 ( -4.727 3.252 -2.072) 6.100 5.618 ( -0.533 -2.545 0.325) 2.620 5.666 ( -0.293 -0.544 -1.793) 1.896 5.721 ( -5.730 3.790 1.627) 7.060 5.755 ( -1.818 -1.834 -5.946) 6.483 5.804 ( 0.424 -6.898 -0.915) 6.972 5.890 ( -6.505 -8.722 -1.237) 10.951 5.935 ( -2.805 -8.851 2.541) 9.627 6.034 ( -0.672 -3.117 1.865) 3.694 6.136 ( -2.905 -8.407 2.514) 9.243 6.166 ( -2.301 -7.586 0.244) 7.931 6.324 ( -1.924 -10.641 -0.186) 10.815 6.449 ( 1.685 -7.802 -0.147) 7.983 7.009 ( 8.915 12.173 2.006) 15.221 7.081 ( 7.734 2.972 -2.115) 8.551 7.218 ( -0.279 4.605 -0.767) 4.676 7.303 ( 4.465 1.772 -0.598) 4.841 7.434 ( -7.556 12.454 1.232) 14.619 7.685 ( -2.996 6.267 -1.529) 7.112 7.790 ( -0.550 3.818 0.320) 3.870 7.856 ( -2.640 2.976 -1.675) 4.317 8.023 ( 0.263 3.019 0.015) 3.031 8.116 ( -3.548 1.254 -1.371) 4.005 8.256 ( 4.050 -1.466 -1.455) 4.547 8.435 ( 3.300 -6.996 0.235) 7.738 8.848 ( 1.018 -0.702 1.711) 2.111 8.893 ( 1.978 -0.296 -3.414) 3.956 8.945 ( -1.050 0.024 -1.718) 2.014 8.965 ( 0.612 -0.146 1.071) 1.242 9.096 ( -0.613 2.311 1.532) 2.839 9.232 ( -2.847 0.978 4.502) 5.416 9.253 ( 1.710 1.623 -0.248) 2.371 9.352 ( -0.891 -0.880 0.967) 1.582 9.414 ( -1.247 -2.107 -0.064) 2.450 9.494 ( 3.460 0.368 -3.083) 4.649 9.516 ( -0.791 -1.330 0.501) 1.627 9.583 ( 1.666 -0.787 -0.158) 1.850 9.607 ( -1.591 -1.692 -0.217) 2.333 9.642 ( 3.182 -2.337 0.821) 4.032 9.657 ( 0.097 0.569 -0.118) 0.589 9.703 ( 2.545 0.344 1.482) 2.965 9.822 ( -1.507 -2.773 -0.610) 3.215 9.896 ( -2.236 -0.074 -0.811) 2.380 9.937 ( 1.123 -0.933 -1.592) 2.160 9.958 ( 0.561 1.669 1.622) 2.394 9.984 ( -0.339 -1.016 -0.574) 1.215 10.019 ( -0.521 0.468 1.045) 1.258 10.065 ( -0.661 -1.807 1.161) 2.248 10.172 ( 1.537 -1.604 -0.646) 2.314 10.375 ( -0.492 3.293 1.439) 3.627 10.440 ( -1.176 5.627 -2.426) 6.239 10.636 ( 1.282 -2.759 1.891) 3.583 10.725 ( -0.009 1.067 0.089) 1.071 10.771 ( -1.321 -0.781 -0.590) 1.644 10.785 ( 0.367 -5.047 0.155) 5.062 10.937 ( 0.134 0.537 0.270) 0.615 11.037 ( 2.377 -3.512 -0.554) 4.277 11.706 ( -2.314 18.200 -0.086) 18.347 11.715 ( -4.980 16.234 0.177) 16.982 12.701 ( 6.727 13.009 0.620) 14.658 12.845 ( 12.896 -9.832 -0.856) 16.239 13.485 ( 1.089 16.086 3.338) 16.465 13.900 ( 15.724 23.878 -9.863) 30.244 14.531 ( 5.851 5.035 7.576) 10.816 14.660 ( 3.129 4.123 -11.091) 12.239 15.032 ( -15.073 5.919 1.292) 16.245 15.221 ( -7.723 14.899 -8.195) 18.676 15.538 ( 6.818 -6.747 0.012) 9.592 15.649 ( 6.068 -5.220 -0.886) 8.054 15.946 ( -10.569 -2.676 1.593) 11.018 15.988 ( -8.243 -0.061 -1.366) 8.356 16.486 ( -1.044 -8.620 3.288) 9.285 16.550 ( 1.964 -7.611 -1.814) 8.067 19.599 ( 0.397 7.386 1.646) 7.577 19.607 ( 1.487 6.285 4.429) 7.831 19.807 ( -4.362 3.481 8.281) 9.986 19.998 ( -2.323 0.151 8.423) 8.738 20.212 ( -1.552 -10.641 -0.942) 10.795 20.249 ( -1.093 -10.047 -0.728) 10.132 20.434 ( 2.999 -1.413 -2.398) 4.091 20.519 ( 2.495 -2.844 -4.037) 5.533 20.895 ( -2.317 5.045 9.361) 10.884 21.225 ( 6.030 1.221 -8.494) 10.488 21.326 ( -1.072 -5.703 0.245) 5.808 21.465 ( 3.404 -5.118 -4.055) 7.364 21.651 ( 0.101 6.383 1.328) 6.521 21.667 ( 0.336 4.361 -1.331) 4.572 21.934 ( -0.335 1.885 -0.230) 1.928 21.969 ( -2.075 -2.597 1.857) 3.808 22.001 ( 0.670 3.606 -1.432) 3.937 22.079 ( -0.110 -3.541 0.438) 3.570 22.167 ( -0.731 0.245 4.335) 4.403 22.225 ( -2.080 -0.800 0.178) 2.236 22.282 ( 2.549 1.157 -2.789) 3.951 22.379 ( 1.722 1.330 -4.897) 5.359 22.467 ( -2.655 -4.530 -0.307) 5.260 22.608 ( 1.059 -3.171 -3.563) 4.887 22.657 ( 0.414 0.362 5.269) 5.297 22.701 ( -0.967 -2.623 -1.999) 3.437 22.735 ( -1.479 -2.604 -0.693) 3.074 22.766 ( 0.242 -2.234 1.644) 2.784 23.032 ( 0.022 2.455 0.981) 2.644 23.059 ( 0.871 2.210 -0.310) 2.396 23.083 ( -0.507 0.850 0.371) 1.058 23.131 ( 3.028 -0.246 1.445) 3.364 23.216 ( -1.972 0.229 -1.704) 2.617 23.266 ( 0.998 -1.482 2.760) 3.288 23.304 ( -1.725 -2.403 1.000) 3.122 23.414 ( 0.885 -6.573 0.459) 6.648 ======================= Grid point 50 (28/44) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.029 11.431 4.968) 13.845 0.961 ( -2.343 12.912 -1.059) 13.166 1.031 ( -2.987 -0.363 -3.458) 4.584 1.112 ( -0.889 -2.294 0.600) 2.533 1.138 ( 3.581 1.727 -5.990) 7.189 1.164 ( 2.208 0.094 -1.489) 2.665 1.195 ( 0.598 -3.336 -1.549) 3.727 1.238 ( -1.927 -4.767 -1.743) 5.429 1.261 ( 2.567 -0.657 -0.477) 2.692 1.286 ( 0.238 -0.997 -0.421) 1.108 1.300 ( -1.720 1.238 -1.424) 2.553 1.328 ( -0.463 -1.434 -1.169) 1.907 1.363 ( -0.826 1.318 1.489) 2.153 1.365 ( 0.661 2.048 0.532) 2.216 1.380 ( -2.513 0.154 2.424) 3.495 1.403 ( -0.645 0.953 1.879) 2.203 1.450 ( 1.252 0.351 0.410) 1.364 1.453 ( 0.858 0.012 -0.428) 0.959 1.456 ( 0.438 -0.857 -0.074) 0.966 1.473 ( -0.709 1.167 -0.517) 1.460 1.502 ( -2.042 -0.274 0.923) 2.258 1.511 ( 0.018 -1.567 0.388) 1.615 1.514 ( -0.429 -0.629 0.639) 0.994 1.517 ( -1.215 -0.300 1.055) 1.637 1.550 ( -0.974 0.766 0.062) 1.241 1.561 ( -0.862 -1.272 -0.979) 1.822 1.606 ( -0.012 2.114 0.935) 2.311 1.626 ( -0.333 1.381 0.566) 1.529 1.688 ( -3.168 0.107 -4.895) 5.832 1.719 ( -2.549 -1.302 -2.934) 4.099 1.753 ( -2.771 2.588 -2.676) 4.641 1.798 ( -3.464 -1.441 -6.016) 7.090 1.885 ( -0.680 4.812 2.504) 5.467 1.958 ( 4.133 -1.376 0.875) 4.443 2.024 ( 3.603 0.206 1.901) 4.079 2.036 ( 2.435 0.596 2.051) 3.239 2.081 ( 3.104 2.363 2.944) 4.888 2.111 ( 3.321 2.107 2.260) 4.536 2.128 ( -1.423 2.683 1.979) 3.624 2.164 ( -0.024 0.736 -1.489) 1.661 2.202 ( 0.607 2.683 -0.606) 2.816 2.236 ( 0.499 1.590 -0.627) 1.781 2.253 ( 2.369 -3.403 0.940) 4.251 2.284 ( 0.404 -1.177 1.940) 2.305 2.356 ( 2.287 3.243 -1.694) 4.315 2.390 ( 4.042 0.171 -1.246) 4.234 2.496 ( -0.967 0.710 2.003) 2.335 2.524 ( 1.257 -1.237 2.201) 2.821 2.559 ( -0.050 3.071 1.025) 3.238 2.577 ( 0.866 0.482 -0.029) 0.992 2.683 ( -0.232 8.061 1.749) 8.251 2.735 ( 0.879 3.556 -4.296) 5.646 2.834 ( 0.706 -4.182 -1.191) 4.405 2.870 ( -0.099 -8.021 0.232) 8.025 2.930 ( -1.797 -0.002 -4.515) 4.859 2.953 ( -3.150 -1.648 -5.647) 6.673 3.175 ( -2.213 2.276 0.212) 3.181 3.216 ( -2.956 -2.249 0.569) 3.757 3.353 ( 0.935 1.744 -3.719) 4.212 3.381 ( 2.465 -1.290 -1.577) 3.198 3.469 ( -0.891 1.898 0.514) 2.159 3.500 ( -0.947 0.285 0.778) 1.258 3.565 ( -1.939 1.011 -0.680) 2.290 3.592 ( -0.241 -0.983 -3.302) 3.453 3.720 ( -1.278 7.030 4.597) 8.496 3.824 ( 1.577 5.371 2.846) 6.280 3.854 ( 0.010 2.232 -0.154) 2.237 3.881 ( 0.914 1.036 0.441) 1.450 3.918 ( -2.400 -7.280 1.766) 7.866 3.926 ( -2.030 -2.471 -2.522) 4.073 4.000 ( 0.947 -1.899 0.623) 2.212 4.052 ( 3.736 -5.601 -2.512) 7.185 4.196 ( 0.862 3.705 1.524) 4.098 4.244 ( 0.831 1.169 3.352) 3.646 4.299 ( -1.102 -0.840 -0.728) 1.565 4.317 ( -0.446 0.666 1.244) 1.480 4.343 ( 2.230 -0.146 2.239) 3.164 4.385 ( 0.445 -2.928 0.728) 3.049 4.462 ( 1.803 5.028 -1.395) 5.520 4.554 ( 2.170 -2.442 -2.925) 4.385 4.651 ( -1.249 3.053 0.728) 3.378 4.704 ( 2.501 4.406 -0.164) 5.069 4.740 ( -3.176 -1.699 0.699) 3.669 4.759 ( -1.614 -1.832 1.257) 2.746 4.841 ( -1.624 0.840 0.934) 2.053 4.850 ( -2.522 -0.779 -0.295) 2.656 4.899 ( -1.656 -4.128 -1.285) 4.629 4.967 ( 1.562 -3.057 1.146) 3.620 5.028 ( -1.272 -1.610 -3.137) 3.749 5.126 ( -0.103 -6.859 -1.998) 7.145 5.191 ( 0.606 -1.452 5.664) 5.878 5.218 ( -2.002 -4.349 1.447) 5.001 5.332 ( 0.376 5.649 2.802) 6.317 5.422 ( -0.360 -2.759 -4.299) 5.121 5.458 ( 1.147 3.988 -0.702) 4.209 5.531 ( 2.414 -1.642 -1.968) 3.520 5.578 ( 2.252 0.062 -1.006) 2.467 5.612 ( 0.830 -3.140 -2.566) 4.139 5.648 ( 0.837 -0.412 -3.012) 3.153 5.670 ( -0.100 -4.432 1.038) 4.553 5.760 ( 1.688 2.591 1.683) 3.520 5.826 ( -0.914 4.753 -0.709) 4.891 5.856 ( 2.763 -4.399 2.141) 5.618 5.969 ( -3.182 -6.096 -0.542) 6.897 6.017 ( -0.655 -0.382 3.596) 3.675 6.083 ( -0.592 4.760 -0.590) 4.833 6.141 ( 1.209 -7.384 3.070) 8.087 6.262 ( -1.632 -9.798 -2.456) 10.232 7.199 ( 1.350 2.748 1.706) 3.505 7.224 ( -0.002 0.204 2.727) 2.735 7.315 ( -0.870 5.308 -2.743) 6.038 7.371 ( -0.068 -0.383 -3.612) 3.632 7.666 ( -0.225 11.777 1.645) 11.893 7.733 ( -0.562 5.275 -1.581) 5.535 7.801 ( 0.752 -1.528 0.314) 1.732 7.814 ( -1.049 -3.012 -0.188) 3.195 8.139 ( 0.953 5.892 1.215) 6.091 8.207 ( -1.101 6.386 -1.878) 6.747 8.245 ( 1.656 -4.443 1.268) 4.908 8.322 ( -1.021 -5.215 -2.258) 5.774 8.864 ( -0.618 1.529 0.933) 1.895 8.899 ( 1.161 -1.040 0.178) 1.568 8.935 ( 0.213 0.540 -0.756) 0.953 8.955 ( -0.838 -1.047 -0.395) 1.398 9.162 ( 0.414 3.458 1.303) 3.719 9.224 ( 0.572 -1.349 -0.365) 1.510 9.315 ( 0.900 0.738 -0.051) 1.165 9.328 ( -1.961 0.637 1.389) 2.486 9.369 ( -1.278 0.213 -0.717) 1.481 9.422 ( -0.208 -4.729 -0.369) 4.748 9.508 ( -0.974 0.391 -3.101) 3.274 9.524 ( -0.476 -1.250 -2.741) 3.050 9.627 ( 1.522 -0.338 2.154) 2.659 9.632 ( 1.826 -1.473 2.736) 3.604 9.651 ( -1.156 0.813 0.601) 1.536 9.706 ( -0.541 -4.545 0.003) 4.577 9.818 ( 0.934 3.775 1.899) 4.328 9.879 ( 0.311 -1.669 -0.706) 1.839 9.940 ( 0.113 1.376 -0.015) 1.381 9.963 ( -0.047 -0.440 -0.907) 1.009 10.019 ( -0.466 0.483 1.507) 1.650 10.034 ( -0.295 -0.905 0.252) 0.985 10.063 ( -0.232 2.850 0.185) 2.865 10.122 ( -0.058 -2.815 -1.583) 3.230 10.455 ( -0.692 4.945 1.301) 5.160 10.519 ( 0.666 2.131 -1.799) 2.867 10.605 ( 0.047 -1.560 2.769) 3.179 10.678 ( 0.376 -5.449 -0.655) 5.501 10.744 ( 0.041 0.674 0.110) 0.684 10.752 ( 0.212 -0.191 -0.204) 0.351 10.957 ( 0.172 0.529 0.428) 0.702 10.982 ( -0.092 -2.191 -0.595) 2.272 12.159 ( -0.211 26.604 0.393) 26.607 12.177 ( 0.116 26.072 -0.388) 26.075 12.654 ( -0.034 -21.981 0.359) 21.984 12.670 ( 0.004 -22.118 -0.300) 22.120 14.048 ( -0.880 30.895 4.014) 31.167 14.320 ( 4.182 12.645 -7.987) 15.530 14.507 ( -4.363 -4.827 3.052) 7.187 14.607 ( 1.993 -5.558 -1.842) 6.185 15.161 ( 1.669 12.869 1.060) 13.020 15.328 ( -2.673 10.032 -8.483) 13.406 15.428 ( 1.731 -13.630 0.812) 13.764 15.511 ( -2.466 -10.048 -2.941) 10.756 15.935 ( -0.565 12.612 1.771) 12.748 16.028 ( 1.892 11.097 -2.719) 11.581 16.261 ( -2.925 -12.686 3.645) 13.520 16.347 ( 1.398 -13.801 -0.792) 13.895 19.739 ( -1.835 5.905 0.848) 6.242 19.777 ( 0.592 3.757 3.175) 4.955 19.870 ( -1.628 -3.469 -0.785) 3.912 19.893 ( -3.684 -6.484 -1.495) 7.606 20.077 ( -2.403 -1.678 7.709) 8.247 20.092 ( -2.154 -2.640 10.283) 10.833 20.456 ( 3.844 0.977 -3.527) 5.308 20.485 ( 3.809 -1.801 -3.917) 5.753 21.103 ( 0.915 5.249 11.226) 12.426 21.212 ( 0.610 -5.358 5.530) 7.724 21.332 ( 5.398 3.463 -2.789) 6.994 21.405 ( 4.772 -3.917 -2.412) 6.628 21.718 ( -0.986 3.920 -1.949) 4.488 21.773 ( -0.794 4.255 -2.654) 5.077 21.819 ( -2.103 -3.974 -3.649) 5.791 21.882 ( -1.490 -4.880 -6.621) 8.358 22.043 ( -1.711 5.336 1.655) 5.843 22.116 ( -0.405 1.571 1.663) 2.323 22.173 ( -0.130 -2.869 0.888) 3.006 22.189 ( -0.806 -2.876 4.473) 5.379 22.265 ( -0.449 3.013 -7.005) 7.639 22.319 ( 1.603 -1.998 -1.412) 2.925 22.457 ( 1.592 2.216 -5.733) 6.349 22.512 ( 1.850 -3.615 -7.030) 8.119 22.605 ( -2.143 -0.984 -1.029) 2.572 22.621 ( -2.750 -2.491 -1.085) 3.866 22.745 ( 1.090 0.270 3.008) 3.211 22.753 ( -0.098 -0.409 2.090) 2.132 23.082 ( -0.760 1.258 1.318) 1.974 23.090 ( -1.050 0.396 0.797) 1.377 23.119 ( 1.140 1.708 0.309) 2.077 23.141 ( 0.022 -0.588 -0.226) 0.630 23.208 ( 0.492 0.080 1.321) 1.411 23.236 ( -0.666 -2.520 0.071) 2.607 23.311 ( 0.857 0.177 4.327) 4.414 23.341 ( 0.402 -2.891 2.938) 4.141 ======================= Grid point 51 (29/44) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -3.948 8.049 4.872) 10.204 0.875 ( -4.552 6.560 0.324) 7.991 1.015 ( 1.683 6.577 1.589) 6.972 1.088 ( -1.391 0.523 0.859) 1.717 1.123 ( -1.708 -1.423 0.055) 2.224 1.169 ( 0.194 1.097 -2.499) 2.736 1.193 ( -0.849 -1.581 -1.113) 2.112 1.205 ( -0.415 -1.103 0.265) 1.208 1.261 ( -3.254 1.600 0.681) 3.689 1.272 ( -1.215 1.204 -0.819) 1.897 1.287 ( -0.573 -0.127 -1.485) 1.597 1.325 ( 2.738 -2.931 -0.656) 4.064 1.354 ( 0.074 -0.174 -0.046) 0.195 1.369 ( -0.049 -0.381 0.395) 0.551 1.395 ( 0.234 0.852 2.085) 2.264 1.411 ( -2.579 1.789 -1.132) 3.337 1.434 ( 0.503 -1.062 1.504) 1.908 1.443 ( -1.462 0.144 -0.260) 1.492 1.452 ( -0.946 -1.813 0.231) 2.058 1.477 ( -0.270 -0.787 0.285) 0.879 1.494 ( -0.350 -0.988 0.465) 1.147 1.507 ( -0.164 0.679 0.816) 1.074 1.519 ( 1.532 -1.200 1.078) 2.225 1.526 ( 0.129 1.180 -0.379) 1.246 1.547 ( 0.377 -1.209 0.599) 1.401 1.554 ( 0.393 -0.376 1.174) 1.294 1.614 ( 2.682 0.705 -1.183) 3.015 1.627 ( 0.969 -0.692 -1.117) 1.633 1.677 ( 2.207 2.233 0.879) 3.260 1.698 ( 0.919 0.769 0.618) 1.348 1.727 ( 0.263 -0.846 -2.023) 2.208 1.740 ( 2.288 -0.733 -0.180) 2.410 1.853 ( -3.034 9.400 1.130) 9.942 1.964 ( -0.888 4.911 -1.715) 5.277 2.032 ( -4.684 -2.882 -0.206) 5.504 2.052 ( 0.628 -4.660 -1.057) 4.819 2.087 ( 0.668 5.036 -3.249) 6.030 2.126 ( 2.264 1.823 0.743) 3.000 2.179 ( 3.315 1.665 0.198) 3.715 2.215 ( 3.221 3.523 1.142) 4.908 2.239 ( 1.930 1.812 2.099) 3.379 2.274 ( 3.257 3.482 0.324) 4.779 2.329 ( 3.182 -2.640 1.216) 4.310 2.342 ( 4.546 -0.728 0.365) 4.618 2.386 ( 3.006 1.236 -3.466) 4.752 2.391 ( -0.410 -0.381 -5.591) 5.619 2.517 ( 2.795 3.738 0.048) 4.668 2.556 ( 3.641 -0.244 0.933) 3.767 2.604 ( 2.444 2.451 0.239) 3.469 2.626 ( 3.166 2.708 0.134) 4.168 2.696 ( -0.670 4.363 0.468) 4.439 2.775 ( 5.533 0.259 3.151) 6.373 2.819 ( -2.171 -0.123 -7.161) 7.484 2.852 ( 0.632 -3.243 -0.462) 3.336 2.870 ( -0.157 -4.000 1.814) 4.395 2.882 ( -0.502 -4.126 -2.822) 5.024 3.151 ( -1.471 -0.023 0.801) 1.675 3.184 ( -3.146 -3.169 2.992) 5.375 3.300 ( -1.746 4.203 -2.294) 5.097 3.409 ( 0.730 -5.847 -0.944) 5.967 3.430 ( -6.356 1.895 -1.755) 6.861 3.453 ( -3.498 -0.080 0.705) 3.569 3.507 ( -1.992 2.120 0.268) 2.921 3.572 ( 0.476 -2.318 -0.163) 2.372 3.742 ( -2.625 2.716 4.747) 6.066 3.798 ( -3.779 1.493 0.991) 4.182 3.820 ( -2.624 -1.346 -0.734) 3.039 3.853 ( -2.279 -0.881 -2.555) 3.535 3.911 ( 0.639 2.348 1.364) 2.790 3.955 ( 1.767 -0.081 1.369) 2.237 4.020 ( -0.519 -1.700 1.163) 2.124 4.042 ( 0.272 -3.568 -1.044) 3.727 4.196 ( -2.885 3.351 -2.505) 5.082 4.254 ( -0.886 -1.518 -0.926) 1.986 4.271 ( -0.538 3.134 2.630) 4.126 4.342 ( -1.150 -3.566 1.093) 3.903 4.415 ( 3.541 0.672 -0.500) 3.639 4.441 ( 3.996 -1.636 -1.431) 4.549 4.486 ( 5.168 4.551 -2.469) 7.315 4.543 ( 1.703 0.079 -3.896) 4.253 4.677 ( 2.453 4.428 1.837) 5.385 4.730 ( -3.077 0.137 0.867) 3.200 4.772 ( 3.827 1.418 -0.564) 4.120 4.808 ( 5.008 0.774 1.175) 5.202 4.845 ( 1.732 0.083 3.038) 3.498 4.879 ( 1.839 -4.785 4.942) 7.120 4.911 ( 3.700 3.115 1.109) 4.962 5.015 ( 4.802 -5.957 -1.407) 7.779 5.055 ( 3.076 -1.665 2.405) 4.245 5.115 ( 1.855 -5.718 -3.917) 7.175 5.270 ( 5.302 -1.606 2.348) 6.017 5.292 ( 4.825 -3.046 3.648) 6.772 5.366 ( 4.082 1.006 -1.272) 4.392 5.417 ( 3.487 -2.939 -0.596) 4.599 5.475 ( -0.059 5.230 -3.197) 6.130 5.562 ( 5.215 -4.346 -4.742) 8.281 5.592 ( 3.200 3.393 -0.428) 4.684 5.633 ( 4.888 -0.284 -2.851) 5.666 5.642 ( 1.295 1.400 -0.923) 2.119 5.685 ( 2.310 -1.650 -0.113) 2.841 5.819 ( 1.924 -0.939 0.293) 2.161 5.850 ( 5.299 1.111 -0.998) 5.506 5.922 ( 0.630 -5.620 -1.073) 5.756 5.935 ( 2.873 -3.174 2.192) 4.810 6.018 ( -0.050 5.303 3.132) 6.160 6.108 ( 2.430 -1.318 0.816) 2.883 6.189 ( -0.183 -9.109 0.576) 9.129 6.228 ( 2.081 -8.617 0.071) 8.865 7.161 ( -7.617 6.362 0.145) 9.926 7.215 ( -4.344 1.793 2.810) 5.475 7.249 ( -4.885 0.790 -0.077) 4.949 7.258 ( -7.931 -0.845 -3.876) 8.868 7.686 ( 2.845 9.511 -0.238) 9.931 7.792 ( 5.847 5.624 0.662) 8.139 7.814 ( 2.733 -3.250 -0.644) 4.295 7.851 ( 4.001 0.146 0.915) 4.107 8.124 ( -3.997 6.615 -0.673) 7.758 8.172 ( -1.023 4.542 0.299) 4.665 8.242 ( -5.265 -4.477 -2.507) 7.352 8.263 ( -1.784 -4.969 1.384) 5.458 8.844 ( -2.382 2.825 0.574) 3.739 8.910 ( -0.247 -2.510 -0.356) 2.547 8.932 ( -0.388 0.424 -0.523) 0.777 8.944 ( 0.772 -0.879 0.151) 1.179 9.181 ( 0.144 3.756 0.793) 3.841 9.228 ( 1.177 0.155 -0.652) 1.355 9.298 ( -2.282 0.172 -1.827) 2.928 9.330 ( 0.524 -1.964 0.688) 2.146 9.355 ( -1.252 2.584 3.223) 4.316 9.428 ( 0.725 -4.274 -0.199) 4.340 9.478 ( 0.185 0.547 -0.753) 0.948 9.511 ( 1.659 -2.192 -1.159) 2.983 9.620 ( -3.220 0.827 0.454) 3.356 9.665 ( 0.509 -1.452 -0.960) 1.813 9.672 ( -0.411 -2.332 1.654) 2.889 9.686 ( -0.015 -1.327 0.379) 1.381 9.856 ( 1.168 1.029 1.708) 2.310 9.871 ( 0.083 0.024 -1.518) 1.521 9.928 ( -0.930 1.443 -0.841) 1.912 9.953 ( -0.243 -0.592 -0.759) 0.993 9.996 ( -3.064 0.029 0.220) 3.072 10.012 ( -2.518 -1.246 1.483) 3.177 10.072 ( 0.393 2.291 0.499) 2.377 10.120 ( 1.180 -2.418 -0.580) 2.752 10.445 ( -1.635 5.246 0.896) 5.568 10.517 ( 0.567 0.112 -1.171) 1.306 10.628 ( -0.363 -0.995 1.875) 2.154 10.678 ( 0.831 -3.897 -1.320) 4.197 10.750 ( 0.590 0.671 0.182) 0.911 10.763 ( 1.235 -0.560 -0.231) 1.376 10.960 ( -0.453 -0.293 0.355) 0.646 10.967 ( -0.765 -1.115 -0.528) 1.452 12.105 ( -5.830 22.697 0.253) 23.435 12.117 ( -5.744 22.484 -0.177) 23.207 12.537 ( -13.504 -20.192 0.531) 24.298 12.546 ( -13.537 -19.563 -0.463) 23.795 14.120 ( 3.648 28.810 4.485) 29.384 14.312 ( 5.162 19.665 -8.257) 21.944 14.472 ( -2.687 -0.991 2.754) 3.973 14.627 ( 1.845 -7.639 -1.518) 8.004 15.225 ( 1.989 7.430 -1.823) 7.905 15.284 ( 7.172 11.889 -0.510) 13.894 15.388 ( -5.002 -9.443 -0.595) 10.703 15.486 ( -0.072 -8.552 -0.145) 8.554 15.986 ( 5.487 8.951 0.771) 10.527 16.080 ( 5.977 9.320 -1.894) 11.233 16.259 ( -1.335 -11.833 2.935) 12.265 16.363 ( 1.070 -13.162 -0.718) 13.225 19.740 ( -1.637 1.623 4.106) 4.709 19.791 ( -3.198 -2.481 -0.936) 4.154 19.823 ( 0.362 -1.754 2.706) 3.245 19.859 ( -0.112 -4.154 -1.530) 4.428 20.116 ( -3.433 0.396 7.611) 8.359 20.134 ( -4.463 -1.380 8.653) 9.834 20.468 ( 3.802 1.807 -6.654) 7.874 20.499 ( 3.974 -1.382 -5.830) 7.190 21.218 ( 0.308 1.568 7.536) 7.703 21.232 ( -1.934 0.550 -1.105) 2.295 21.407 ( 5.246 2.733 -1.465) 6.094 21.440 ( 3.314 -0.651 -5.068) 6.091 21.709 ( 0.439 -0.221 2.396) 2.446 21.746 ( -1.792 -3.446 -2.872) 4.831 21.754 ( -0.063 0.943 -0.229) 0.972 21.793 ( -0.579 -2.952 -3.997) 5.002 22.035 ( -1.560 3.904 1.829) 4.585 22.110 ( -2.254 -2.891 0.761) 3.745 22.157 ( -1.855 2.960 0.521) 3.532 22.200 ( 0.633 -0.122 -1.585) 1.711 22.249 ( 0.201 1.591 2.399) 2.885 22.332 ( 2.552 -4.287 -2.655) 5.651 22.430 ( 2.326 1.339 -4.543) 5.277 22.471 ( 2.234 -3.055 -6.014) 7.106 22.588 ( -1.363 -1.570 1.683) 2.674 22.592 ( -0.911 -1.941 2.416) 3.230 22.747 ( -1.427 1.589 0.494) 2.192 22.780 ( 0.402 -1.385 0.336) 1.481 23.075 ( -1.492 0.838 1.054) 2.009 23.081 ( -1.291 0.339 1.472) 1.987 23.127 ( -0.387 1.196 -0.362) 1.308 23.137 ( -0.047 0.510 -0.109) 0.523 23.225 ( -0.007 -0.231 0.198) 0.305 23.251 ( 1.535 -2.322 0.999) 2.957 23.351 ( 0.040 -0.527 1.552) 1.639 23.363 ( -0.030 -1.725 0.796) 1.900 ======================= Grid point 52 (30/44) ======================= q-point: ( 0.40 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.485 10.336 5.250) 11.688 0.903 ( -1.945 3.784 9.998) 10.865 1.070 ( 0.536 3.384 4.162) 5.390 1.077 ( -4.675 2.441 6.142) 8.096 1.113 ( -0.488 6.129 2.383) 6.594 1.144 ( 0.398 3.685 -2.175) 4.298 1.179 ( -0.387 -0.790 0.325) 0.938 1.200 ( 0.211 0.205 -0.135) 0.324 1.217 ( -1.096 0.609 -0.080) 1.257 1.252 ( 0.483 1.535 0.852) 1.821 1.281 ( -1.027 -1.240 0.615) 1.723 1.338 ( -0.494 -2.618 -0.540) 2.718 1.349 ( -0.009 0.370 -1.819) 1.857 1.357 ( 0.243 -1.672 -0.674) 1.819 1.392 ( 0.818 -1.605 0.109) 1.805 1.402 ( -2.122 -3.961 0.735) 4.554 1.425 ( 0.625 -1.541 -1.158) 2.026 1.442 ( 0.050 -1.473 1.460) 2.075 1.464 ( 0.469 -0.463 1.136) 1.313 1.481 ( -0.688 0.365 1.533) 1.719 1.486 ( 0.392 -2.336 -0.931) 2.545 1.504 ( 0.047 -1.070 -0.020) 1.071 1.530 ( 0.343 0.953 0.507) 1.133 1.554 ( 0.192 -1.348 -0.001) 1.362 1.569 ( -0.019 2.015 4.384) 4.825 1.599 ( -0.203 -0.370 4.649) 4.668 1.651 ( 2.835 0.656 -0.027) 2.910 1.669 ( 2.601 -1.444 1.442) 3.306 1.721 ( 3.412 1.057 1.349) 3.818 1.737 ( -0.189 2.755 0.381) 2.788 1.742 ( 1.007 0.603 2.048) 2.360 1.775 ( 0.364 0.274 1.556) 1.621 1.862 ( 2.376 8.306 2.779) 9.075 1.955 ( -4.123 1.519 0.817) 4.469 1.966 ( 1.641 2.204 -2.056) 3.432 2.018 ( -0.936 -1.938 -2.286) 3.140 2.073 ( 2.340 5.579 -6.035) 8.546 2.167 ( 2.163 -0.870 -2.261) 3.248 2.186 ( -1.338 3.791 -4.008) 5.677 2.222 ( 1.933 0.608 -5.383) 5.752 2.257 ( -1.630 3.764 -1.270) 4.294 2.306 ( 0.142 0.643 -3.999) 4.052 2.315 ( 0.056 -0.586 -1.779) 1.874 2.362 ( 2.686 -2.134 -3.931) 5.218 2.378 ( 3.371 0.907 -3.784) 5.149 2.424 ( 1.489 -1.646 2.073) 3.037 2.554 ( 2.741 1.692 -3.428) 4.704 2.580 ( -2.000 -0.348 -5.317) 5.691 2.591 ( 0.363 3.925 -4.593) 6.052 2.628 ( -0.261 0.622 -3.387) 3.454 2.746 ( 5.984 5.836 3.207) 8.953 2.761 ( 2.178 2.464 -1.705) 3.705 2.816 ( -3.436 0.543 1.734) 3.887 2.887 ( -0.877 0.925 4.464) 4.642 2.919 ( 5.294 -6.021 3.441) 8.725 2.956 ( 2.680 -6.038 4.272) 7.867 3.129 ( -2.503 1.976 3.108) 4.453 3.174 ( -1.640 -1.128 2.829) 3.459 3.268 ( -2.591 1.190 3.592) 4.586 3.316 ( -4.166 -1.420 2.215) 4.927 3.402 ( -0.136 -1.905 -1.049) 2.179 3.428 ( 2.757 -5.229 -0.348) 5.922 3.521 ( -0.768 2.713 3.046) 4.150 3.592 ( -0.260 -3.258 1.394) 3.554 3.715 ( -2.677 2.944 1.267) 4.176 3.745 ( -4.293 2.077 2.092) 5.208 3.816 ( -0.359 -1.595 0.617) 1.748 3.834 ( 1.037 -2.345 4.252) 4.965 3.910 ( 0.798 2.816 -4.080) 5.021 3.956 ( -1.645 -0.297 -2.067) 2.658 4.000 ( -0.304 2.431 -2.092) 3.221 4.044 ( -0.032 -2.102 -2.295) 3.113 4.144 ( -0.250 2.218 -0.427) 2.272 4.228 ( 0.482 -4.911 -1.860) 5.273 4.259 ( -1.421 0.799 -1.561) 2.257 4.288 ( -3.435 -1.746 -2.509) 4.598 4.453 ( 2.810 0.819 -1.519) 3.298 4.466 ( 2.053 0.100 -0.280) 2.075 4.545 ( 1.161 0.571 -1.007) 1.640 4.556 ( 3.296 -0.859 -1.370) 3.671 4.695 ( -0.360 2.262 -0.389) 2.324 4.731 ( -0.100 -1.105 0.108) 1.114 4.795 ( 0.408 6.085 2.702) 6.670 4.860 ( -2.097 -0.300 2.385) 3.190 4.908 ( 1.627 0.788 3.319) 3.779 4.941 ( -0.571 -1.152 4.702) 4.875 4.999 ( 5.373 5.350 1.376) 7.706 5.040 ( -2.227 -2.267 0.053) 3.179 5.061 ( -2.494 -1.564 -3.938) 4.917 5.133 ( 3.303 -5.807 2.823) 7.252 5.360 ( -0.083 2.487 -1.139) 2.736 5.376 ( 0.680 0.576 0.920) 1.281 5.424 ( 3.707 -0.238 -0.831) 3.807 5.438 ( 2.852 1.377 -2.951) 4.329 5.487 ( 2.503 -0.259 2.500) 3.547 5.571 ( 2.336 -6.974 -2.448) 7.751 5.640 ( 1.586 3.153 -2.735) 4.465 5.661 ( 4.617 2.272 -1.475) 5.353 5.705 ( 2.579 -3.750 -3.398) 5.680 5.746 ( 5.103 -1.047 1.357) 5.383 5.810 ( -0.793 -1.489 -2.545) 3.054 5.900 ( 2.768 -6.244 1.675) 7.033 5.980 ( 2.697 1.427 0.999) 3.210 6.046 ( 6.773 -1.515 0.256) 6.945 6.109 ( 5.030 0.770 1.744) 5.379 6.143 ( 2.251 -1.540 -1.275) 3.011 6.207 ( 2.295 -6.193 -0.062) 6.605 6.260 ( -0.191 -7.228 -0.227) 7.234 7.029 ( -5.882 6.398 -1.029) 8.752 7.079 ( -6.560 2.821 -2.900) 7.707 7.170 ( -3.932 -0.371 2.150) 4.497 7.183 ( -3.937 -2.170 2.528) 5.157 7.754 ( 4.675 6.565 0.539) 8.077 7.830 ( 1.782 -0.845 -0.173) 1.980 7.904 ( 3.393 4.822 -0.350) 5.907 7.926 ( 1.755 3.105 0.173) 3.571 8.065 ( -0.296 3.310 0.663) 3.388 8.132 ( -3.733 -2.734 -0.691) 4.678 8.159 ( -0.500 1.340 -0.126) 1.436 8.221 ( -4.852 -5.232 0.796) 7.180 8.818 ( -1.243 2.746 0.724) 3.100 8.885 ( -0.648 -3.032 -1.582) 3.480 8.937 ( 0.128 0.824 0.854) 1.193 8.960 ( 0.864 -1.508 0.187) 1.748 9.184 ( 0.783 4.146 -0.192) 4.224 9.239 ( -1.803 0.148 -1.942) 2.654 9.265 ( 1.982 1.545 1.280) 2.820 9.334 ( -1.145 -2.503 0.601) 2.818 9.366 ( -1.274 2.893 2.887) 4.281 9.436 ( 0.404 -4.263 0.571) 4.320 9.503 ( 2.379 1.686 0.822) 3.029 9.547 ( 1.803 -1.670 0.883) 2.611 9.568 ( -3.167 0.269 1.010) 3.335 9.612 ( -2.466 -3.599 -2.553) 5.055 9.683 ( 0.406 0.068 -0.720) 0.829 9.695 ( -0.189 -1.484 -0.412) 1.551 9.858 ( 0.880 0.126 -1.869) 2.069 9.869 ( -1.008 -0.536 -0.462) 1.232 9.923 ( 1.457 0.036 0.098) 1.461 9.934 ( -0.763 -0.682 -0.055) 1.024 9.969 ( -1.561 0.755 1.214) 2.117 9.991 ( -1.472 -1.384 0.960) 2.237 10.076 ( -0.333 2.396 0.137) 2.423 10.126 ( 0.204 -2.591 -1.046) 2.802 10.435 ( -0.865 4.742 1.442) 5.032 10.511 ( 0.605 -1.844 -1.213) 2.288 10.627 ( -1.436 0.954 0.848) 1.921 10.677 ( 1.050 -2.984 -1.801) 3.640 10.762 ( 0.357 0.677 0.194) 0.789 10.778 ( 0.779 -1.199 -0.392) 1.483 10.950 ( -0.139 0.198 -0.174) 0.298 10.958 ( -0.581 -0.738 0.169) 0.954 12.034 ( -2.100 14.285 0.188) 14.439 12.049 ( -1.877 14.504 -0.072) 14.625 12.327 ( -10.458 -14.200 0.633) 17.647 12.330 ( -9.067 -14.094 -0.502) 16.766 14.197 ( 0.096 26.987 2.321) 27.087 14.320 ( 4.826 22.533 -6.225) 23.870 14.481 ( -0.758 2.062 4.059) 4.616 14.641 ( 1.955 -7.147 -1.513) 7.562 15.252 ( 3.463 1.363 -0.287) 3.733 15.332 ( -2.686 -5.684 1.276) 6.415 15.419 ( 5.622 5.331 2.637) 8.184 15.458 ( -2.557 0.272 0.552) 2.630 16.088 ( 4.206 3.838 0.613) 5.727 16.135 ( 2.454 6.226 -1.376) 6.832 16.276 ( -0.150 -9.687 2.460) 9.996 16.362 ( -0.041 -11.545 -0.642) 11.563 19.731 ( -2.028 2.855 1.856) 3.963 19.786 ( -0.967 1.640 1.379) 2.350 19.814 ( -0.591 -2.751 3.162) 4.233 19.904 ( 1.000 -7.687 4.715) 9.074 20.082 ( -5.796 2.551 1.392) 6.484 20.134 ( -4.504 -2.952 5.000) 7.348 20.451 ( 3.416 2.294 -7.670) 8.704 20.495 ( 3.341 -2.040 -6.649) 7.716 21.141 ( -3.719 5.115 -6.037) 8.743 21.234 ( -1.708 -3.931 -1.794) 4.647 21.387 ( 2.075 3.111 -10.091) 10.762 21.444 ( 2.813 -2.123 -7.250) 8.062 21.714 ( -0.005 2.111 1.466) 2.570 21.747 ( 0.752 3.929 1.187) 4.172 21.785 ( 1.340 -4.289 6.457) 7.867 21.840 ( 1.832 -4.708 5.892) 7.761 22.030 ( -0.946 3.116 1.577) 3.619 22.087 ( -1.204 -1.875 0.921) 2.411 22.140 ( -1.083 3.667 1.085) 3.974 22.201 ( -0.125 -0.112 0.762) 0.780 22.267 ( 0.186 -0.186 0.971) 1.006 22.342 ( 1.704 -4.921 -1.926) 5.552 22.453 ( 3.316 0.753 -1.847) 3.870 22.476 ( 2.565 -1.131 -0.966) 2.965 22.600 ( 0.186 -0.609 2.743) 2.816 22.620 ( 0.039 -2.347 4.085) 4.711 22.728 ( -1.167 1.892 0.518) 2.282 22.772 ( -0.756 -2.023 -1.114) 2.431 23.064 ( -1.103 1.390 0.747) 1.926 23.078 ( -0.734 0.216 1.427) 1.619 23.114 ( -0.617 0.179 -0.762) 0.997 23.120 ( -0.472 -0.090 -1.671) 1.738 23.227 ( 0.185 1.720 -0.218) 1.743 23.273 ( 0.287 -2.587 0.533) 2.657 23.337 ( -0.951 -0.339 -2.336) 2.545 23.355 ( -0.914 -1.961 -1.227) 2.487 ======================= Grid point 53 (31/44) ======================= q-point: (-0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.494 9.741 7.664) 12.404 1.000 ( -0.384 1.868 10.832) 10.999 1.072 ( -2.666 5.730 4.577) 7.804 1.100 ( 0.768 6.831 -3.053) 7.522 1.128 ( 1.626 2.928 3.518) 4.857 1.146 ( 0.638 3.148 -0.958) 3.352 1.191 ( 1.643 1.221 -1.568) 2.579 1.213 ( 2.172 -1.929 0.223) 2.913 1.260 ( 1.823 -1.302 3.705) 4.330 1.268 ( 0.441 3.985 0.179) 4.013 1.284 ( 0.834 -1.950 0.384) 2.155 1.312 ( -0.170 -0.432 -1.372) 1.449 1.352 ( 0.736 -2.600 0.346) 2.724 1.358 ( 0.944 0.522 -0.597) 1.233 1.375 ( -1.912 -6.101 -1.303) 6.525 1.407 ( 1.303 -2.350 0.305) 2.704 1.415 ( 0.093 0.542 -0.004) 0.550 1.457 ( -0.174 -0.919 -0.379) 1.010 1.466 ( -0.784 -0.078 0.272) 0.834 1.483 ( 0.602 -1.778 0.870) 2.069 1.506 ( -1.148 0.449 0.479) 1.322 1.510 ( 0.699 -0.244 0.765) 1.065 1.543 ( -0.011 -0.098 1.013) 1.018 1.547 ( -1.049 0.540 0.905) 1.487 1.603 ( -1.503 2.005 5.369) 5.925 1.612 ( -2.661 3.202 0.944) 4.269 1.687 ( -3.246 1.464 -0.694) 3.628 1.696 ( -2.946 0.117 0.391) 2.974 1.703 ( 1.047 0.479 4.491) 4.636 1.750 ( -0.182 -1.581 5.594) 5.816 1.804 ( -0.832 0.521 5.092) 5.186 1.832 ( 1.953 -2.369 6.903) 7.555 1.885 ( -3.529 4.881 2.295) 6.445 1.923 ( 0.283 1.066 -3.904) 4.057 1.975 ( 4.473 2.809 -0.754) 5.335 2.011 ( 0.689 3.136 -4.644) 5.646 2.037 ( 1.385 1.528 -3.341) 3.926 2.072 ( -2.786 4.211 -7.683) 9.194 2.138 ( -1.978 -3.230 -4.572) 5.937 2.156 ( -3.747 -3.598 -8.607) 10.053 2.204 ( -0.941 0.999 -3.335) 3.606 2.231 ( 0.235 1.105 -3.239) 3.430 2.310 ( -2.008 0.632 -1.462) 2.563 2.356 ( 1.683 -2.176 -3.687) 4.600 2.406 ( 2.869 2.387 -0.466) 3.761 2.449 ( -1.791 1.722 -3.297) 4.128 2.474 ( 0.367 0.432 -1.788) 1.876 2.517 ( -0.932 -0.417 -5.399) 5.494 2.572 ( -0.754 3.436 -0.035) 3.517 2.611 ( 0.422 -0.682 -0.978) 1.265 2.730 ( -4.220 4.985 0.197) 6.534 2.809 ( 3.910 -1.590 -0.681) 4.275 2.869 ( -1.707 1.974 0.883) 2.755 2.886 ( -2.457 4.058 4.036) 6.228 2.949 ( -1.007 -2.841 1.623) 3.424 3.026 ( 1.897 -5.536 3.979) 7.077 3.177 ( 1.130 1.577 4.637) 5.026 3.217 ( 0.904 -2.433 3.880) 4.668 3.298 ( 1.054 -0.131 1.952) 2.222 3.332 ( 3.762 -1.446 0.173) 4.034 3.431 ( 2.192 1.478 3.321) 4.245 3.484 ( 2.051 -2.278 0.448) 3.098 3.525 ( -0.260 1.256 -0.458) 1.362 3.567 ( -0.769 -2.905 -0.502) 3.047 3.704 ( -3.965 5.615 2.551) 7.331 3.735 ( 2.975 2.533 2.174) 4.472 3.830 ( -0.634 1.032 -2.563) 2.834 3.872 ( -0.336 -4.506 -1.089) 4.648 3.899 ( 0.994 0.308 -0.568) 1.185 3.910 ( 1.631 -2.228 4.000) 4.860 3.981 ( 0.391 2.835 -1.761) 3.361 4.028 ( 0.851 -2.177 -2.675) 3.552 4.144 ( 0.381 2.350 0.628) 2.462 4.209 ( -1.567 -1.933 -1.805) 3.074 4.226 ( 1.351 0.676 -3.556) 3.863 4.266 ( 3.313 -4.580 -1.152) 5.769 4.462 ( -1.550 0.713 -0.277) 1.728 4.469 ( -1.714 -0.105 -0.624) 1.827 4.531 ( -0.935 0.831 -2.199) 2.530 4.569 ( 0.786 -2.494 -1.784) 3.166 4.680 ( -2.463 2.446 -2.437) 4.241 4.700 ( 1.272 1.625 -0.034) 2.063 4.815 ( -1.231 2.063 2.349) 3.360 4.868 ( -1.787 0.884 4.346) 4.781 4.939 ( -2.620 -0.103 -0.058) 2.623 4.963 ( -0.697 2.649 4.552) 5.313 4.973 ( -4.172 -0.606 0.960) 4.323 4.999 ( -2.701 -3.283 1.272) 4.437 5.078 ( 0.360 5.797 1.624) 6.031 5.187 ( 0.657 -3.769 0.192) 3.831 5.322 ( -3.349 0.607 0.874) 3.514 5.346 ( -4.483 -1.009 0.510) 4.624 5.434 ( 1.080 0.818 -2.367) 2.727 5.461 ( 1.092 0.020 -0.750) 1.325 5.508 ( -1.206 -0.258 -0.761) 1.449 5.552 ( -1.911 -2.923 -2.743) 4.441 5.637 ( 0.147 1.846 -1.033) 2.120 5.659 ( -1.940 -3.164 -2.050) 4.239 5.703 ( 0.634 -3.929 -2.112) 4.505 5.733 ( -1.573 -6.010 -4.062) 7.423 5.865 ( -1.140 3.661 4.123) 5.631 5.919 ( -5.671 0.036 -1.758) 5.937 5.973 ( -1.750 -2.756 3.152) 4.538 6.014 ( -6.365 -0.147 -1.039) 6.450 6.070 ( -8.499 -2.894 0.496) 8.992 6.153 ( -3.855 2.732 -0.152) 4.727 6.170 ( -3.647 -8.431 -0.446) 9.197 6.272 ( 0.889 -7.157 -0.043) 7.212 7.023 ( 5.799 4.869 -0.325) 7.579 7.047 ( 5.334 2.371 -2.140) 6.217 7.201 ( 4.747 0.080 1.740) 5.056 7.211 ( 5.470 -0.928 1.483) 5.743 7.774 ( -4.629 7.438 0.891) 8.805 7.849 ( -2.319 2.646 -1.981) 4.037 7.875 ( -1.550 1.061 1.562) 2.442 7.894 ( -2.469 2.738 -0.128) 3.689 8.096 ( 0.393 3.886 0.720) 3.972 8.152 ( -0.846 -0.617 -0.257) 1.078 8.167 ( 3.967 -2.811 -1.553) 5.104 8.210 ( 6.873 -4.618 1.563) 8.427 8.823 ( 0.597 1.840 1.084) 2.217 8.869 ( 0.678 -2.242 -1.653) 2.867 8.949 ( 0.295 0.674 0.962) 1.211 8.967 ( -0.020 -1.039 -0.380) 1.107 9.182 ( -1.913 3.886 -0.766) 4.398 9.223 ( 2.307 0.739 -0.417) 2.458 9.288 ( -2.224 0.952 0.602) 2.493 9.329 ( 2.199 -1.542 0.798) 2.801 9.382 ( -1.105 1.541 3.453) 3.940 9.451 ( -0.680 -4.276 1.326) 4.528 9.515 ( -0.599 1.225 0.302) 1.396 9.536 ( -0.679 0.200 -0.864) 1.117 9.581 ( 1.969 -0.718 0.751) 2.227 9.601 ( 1.812 -2.578 -0.599) 3.208 9.671 ( -0.224 -0.635 -1.024) 1.226 9.672 ( -1.101 -0.822 -1.292) 1.886 9.833 ( -1.620 0.775 -1.145) 2.130 9.870 ( 1.686 -2.121 -1.041) 2.902 9.929 ( -0.028 0.631 -0.035) 0.633 9.960 ( 2.176 -1.438 -0.145) 2.612 9.967 ( -0.158 0.792 1.564) 1.760 9.989 ( 0.450 -1.118 1.035) 1.588 10.069 ( -0.617 1.945 0.216) 2.052 10.114 ( 0.467 -2.514 -1.293) 2.865 10.443 ( -0.272 4.405 1.628) 4.704 10.517 ( 1.661 -2.003 -1.530) 3.019 10.605 ( -2.035 2.489 0.670) 3.284 10.677 ( 1.037 -3.749 -1.501) 4.169 10.760 ( -0.803 0.576 0.241) 1.017 10.775 ( -0.531 -0.957 -0.445) 1.181 10.950 ( -0.230 0.212 -0.133) 0.340 10.961 ( 1.173 -0.892 0.126) 1.479 12.033 ( 1.757 13.881 0.164) 13.993 12.051 ( 2.204 14.778 -0.049) 14.942 12.314 ( 9.023 -13.873 0.137) 16.550 12.343 ( 10.305 -14.311 -0.006) 17.635 14.161 ( -5.877 28.826 1.197) 29.444 14.331 ( 3.016 19.526 -4.553) 20.275 14.512 ( -1.182 -0.123 4.290) 4.451 14.651 ( 1.185 -7.200 -2.239) 7.632 15.282 ( -4.635 2.172 -0.693) 5.165 15.322 ( 4.322 -2.638 1.101) 5.182 15.449 ( -0.705 2.216 2.983) 3.782 15.500 ( 2.404 -2.475 0.804) 3.543 16.084 ( -4.868 4.728 0.567) 6.810 16.128 ( -1.809 4.920 -1.234) 5.385 16.287 ( -1.972 -8.706 2.672) 9.318 16.360 ( 0.519 -10.979 -1.014) 11.038 19.741 ( -0.274 7.224 3.238) 7.921 19.766 ( -0.983 7.575 0.123) 7.640 19.880 ( 0.591 -5.140 7.819) 9.376 19.912 ( -4.575 -2.671 0.145) 5.300 20.034 ( -1.223 -3.038 3.813) 5.026 20.091 ( -4.425 -6.131 0.855) 7.609 20.432 ( 2.865 1.649 -5.936) 6.794 20.476 ( 2.408 -2.645 -6.025) 7.007 21.036 ( -3.262 6.740 -2.350) 7.848 21.173 ( -1.417 -6.821 -3.087) 7.620 21.325 ( 2.848 2.817 -9.279) 10.107 21.396 ( 2.678 -4.004 -9.139) 10.331 21.744 ( 0.002 5.074 2.617) 5.709 21.783 ( 1.409 6.478 1.165) 6.731 21.853 ( -0.064 -5.056 4.487) 6.760 21.913 ( 1.565 -5.776 2.393) 6.445 22.045 ( -0.143 3.806 2.697) 4.667 22.086 ( -0.840 1.123 2.296) 2.690 22.145 ( -0.431 1.458 1.627) 2.227 22.200 ( -1.718 -2.632 1.547) 3.503 22.283 ( 2.391 1.027 -2.078) 3.330 22.351 ( 0.207 -4.695 0.666) 4.746 22.469 ( 2.251 2.645 -3.029) 4.609 22.520 ( 2.846 -2.531 -0.214) 3.815 22.640 ( 0.388 0.436 3.615) 3.662 22.670 ( 0.723 -2.118 4.405) 4.941 22.722 ( -0.563 -0.051 -0.128) 0.580 22.733 ( -2.227 -1.011 -2.015) 3.169 23.056 ( 0.008 1.500 0.209) 1.514 23.081 ( -0.242 -0.972 -0.413) 1.084 23.095 ( 0.298 1.494 0.015) 1.524 23.113 ( 0.131 -0.169 -0.002) 0.214 23.229 ( -0.122 1.817 1.073) 2.113 23.274 ( -1.112 -1.190 0.398) 1.677 23.288 ( -1.245 -1.170 -2.910) 3.374 23.315 ( -1.306 -3.051 -2.294) 4.035 ======================= Grid point 54 (32/44) ======================= q-point: (-0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -5.342 10.192 6.586) 13.259 1.021 ( -3.556 12.747 -0.471) 13.242 1.076 ( 1.402 5.439 -3.365) 6.547 1.096 ( -1.439 -4.642 4.230) 6.443 1.140 ( 1.494 3.805 -3.300) 5.254 1.185 ( 1.179 -0.252 0.173) 1.218 1.198 ( 0.942 -1.085 -2.233) 2.655 1.235 ( 1.687 -3.286 -0.941) 3.812 1.255 ( 0.086 1.070 -0.720) 1.293 1.287 ( 0.979 0.691 -1.005) 1.564 1.312 ( 0.259 -3.256 1.016) 3.420 1.326 ( -0.038 -1.612 -0.309) 1.642 1.347 ( 1.566 0.230 0.546) 1.675 1.364 ( -0.658 -1.050 1.062) 1.632 1.388 ( 0.639 -0.382 0.722) 1.037 1.408 ( 1.269 3.024 -0.868) 3.392 1.434 ( -0.786 -1.579 0.747) 1.915 1.450 ( 0.317 -0.836 -0.067) 0.896 1.472 ( -0.155 0.832 1.287) 1.540 1.479 ( -1.662 1.618 -0.644) 2.408 1.493 ( 0.287 0.111 0.416) 0.517 1.507 ( -1.291 1.041 0.838) 1.858 1.524 ( -1.335 0.057 0.147) 1.344 1.544 ( -1.625 -0.803 0.620) 1.916 1.576 ( -1.759 0.513 -0.400) 1.875 1.600 ( -3.127 2.316 1.877) 4.320 1.616 ( -4.580 -1.580 -0.709) 4.896 1.634 ( -1.883 0.175 0.575) 1.977 1.769 ( -1.527 1.486 1.859) 2.828 1.801 ( 0.707 -1.095 5.880) 6.023 1.836 ( -4.105 5.210 2.282) 7.015 1.852 ( -2.381 2.529 -4.549) 5.723 1.900 ( -0.248 -2.337 0.094) 2.352 1.910 ( 0.372 -1.102 0.794) 1.408 1.962 ( 0.826 1.357 -0.834) 1.794 1.975 ( 1.889 0.251 -0.598) 1.997 1.991 ( -1.888 -1.368 -6.642) 7.040 2.029 ( 4.651 1.504 0.896) 4.969 2.096 ( 4.652 0.031 -0.086) 4.653 2.132 ( 3.211 1.244 1.579) 3.788 2.187 ( 1.069 -1.729 -1.248) 2.385 2.215 ( 0.004 -3.779 -1.266) 3.985 2.276 ( 0.769 3.358 -0.065) 3.445 2.324 ( -2.119 -1.330 -3.716) 4.480 2.360 ( -2.748 4.941 -2.808) 6.313 2.425 ( -3.429 0.252 -1.478) 3.743 2.470 ( 1.306 0.243 0.969) 1.645 2.491 ( 0.816 -0.256 -0.002) 0.855 2.563 ( -1.571 3.113 1.996) 4.018 2.597 ( -0.654 0.577 -1.789) 1.991 2.689 ( -2.322 7.640 1.396) 8.107 2.791 ( -1.725 1.717 -4.458) 5.079 2.848 ( -0.684 -4.264 0.017) 4.319 2.873 ( -1.731 -5.227 1.561) 5.723 2.969 ( 0.375 1.749 -0.320) 1.817 3.043 ( -2.293 -3.679 -1.227) 4.505 3.205 ( -1.433 2.296 0.945) 2.867 3.238 ( -1.604 -0.730 2.848) 3.350 3.321 ( 3.581 2.510 -2.882) 5.237 3.390 ( 2.211 -3.439 -1.524) 4.363 3.474 ( 1.145 0.174 -3.013) 3.228 3.482 ( 0.292 -0.867 1.191) 1.502 3.549 ( 1.803 3.161 3.749) 5.225 3.602 ( 2.468 -1.482 -0.980) 3.041 3.689 ( -0.507 8.408 3.132) 8.986 3.780 ( 0.553 4.540 -0.709) 4.628 3.833 ( -0.178 0.692 1.751) 1.891 3.852 ( 3.053 -3.015 1.633) 4.591 3.932 ( -0.761 -2.320 -0.873) 2.593 3.965 ( 2.281 -2.533 1.685) 3.802 3.981 ( 0.896 -1.513 -3.052) 3.523 4.010 ( 2.163 -2.239 -2.902) 4.256 4.181 ( 1.559 -0.011 1.145) 1.934 4.184 ( 1.201 2.021 0.328) 2.374 4.247 ( 3.346 1.788 -0.095) 3.795 4.311 ( 2.625 -3.875 -0.227) 4.686 4.391 ( -6.264 0.540 0.804) 6.339 4.418 ( -4.871 -0.961 1.481) 5.181 4.485 ( -1.655 1.765 -2.379) 3.393 4.554 ( 0.683 -3.678 -2.597) 4.554 4.651 ( 0.394 7.245 0.137) 7.257 4.713 ( -1.478 2.488 0.474) 2.933 4.828 ( -6.377 1.406 4.941) 8.189 4.839 ( -2.773 -2.239 1.087) 3.727 4.861 ( -5.612 -1.831 -0.625) 5.936 4.902 ( -4.929 -3.633 1.445) 6.291 4.938 ( -4.493 0.916 -0.393) 4.602 4.987 ( -0.605 -0.588 -0.992) 1.302 5.088 ( -1.971 1.878 2.055) 3.411 5.159 ( -2.424 -5.303 -1.076) 5.929 5.208 ( -8.125 1.773 1.125) 8.392 5.290 ( -6.960 -5.697 3.287) 9.576 5.358 ( -7.119 4.268 -1.490) 8.433 5.467 ( -0.482 3.057 -1.259) 3.342 5.484 ( 0.503 2.837 -2.429) 3.769 5.496 ( -0.363 -5.926 1.300) 6.078 5.594 ( -2.354 -4.182 -3.183) 5.759 5.638 ( 1.668 -1.356 -1.916) 2.879 5.655 ( -2.996 -8.670 -0.967) 9.223 5.681 ( 0.138 -3.325 -4.248) 5.396 5.790 ( -5.799 2.020 0.364) 6.151 5.804 ( -0.431 1.409 -1.655) 2.216 5.889 ( -6.132 3.285 1.952) 7.225 5.995 ( -1.924 -2.074 2.269) 3.627 6.011 ( -2.862 -4.044 2.905) 5.744 6.102 ( -1.365 -0.168 -1.471) 2.014 6.131 ( -1.854 -3.554 1.896) 4.435 6.279 ( 0.744 -9.256 -0.067) 9.286 7.130 ( 6.185 2.693 -0.462) 6.762 7.148 ( 6.439 1.696 0.997) 6.733 7.299 ( 4.989 3.253 -0.451) 5.973 7.330 ( 7.226 0.258 -1.109) 7.315 7.688 ( -4.249 10.983 -0.147) 11.777 7.790 ( -3.572 3.726 0.473) 5.184 7.822 ( -3.642 -1.129 -0.454) 3.840 7.861 ( -4.392 -2.022 0.851) 4.909 8.104 ( 2.189 5.213 -0.478) 5.674 8.187 ( 3.636 1.121 0.120) 3.807 8.217 ( 2.519 0.486 -0.985) 2.748 8.312 ( 4.013 -5.590 -0.241) 6.885 8.849 ( 1.033 0.876 0.878) 1.614 8.876 ( 1.609 -1.413 -0.615) 2.228 8.952 ( -0.787 0.492 -1.004) 1.367 8.960 ( -0.037 -0.321 0.511) 0.605 9.155 ( -0.661 3.680 0.073) 3.740 9.226 ( -0.368 -2.917 -0.855) 3.062 9.293 ( 0.837 3.991 1.621) 4.389 9.352 ( -0.755 0.290 -0.076) 0.812 9.388 ( -1.129 -0.526 0.546) 1.359 9.430 ( -0.807 -5.556 0.250) 5.620 9.530 ( 1.359 1.721 -0.580) 2.269 9.564 ( 1.032 -1.498 0.615) 1.920 9.580 ( -0.019 0.210 -1.121) 1.140 9.600 ( -0.280 -1.577 -0.008) 1.601 9.656 ( -0.427 0.102 0.494) 0.661 9.688 ( 1.830 -2.979 0.908) 3.613 9.806 ( -0.787 2.966 0.079) 3.069 9.878 ( 0.528 -3.296 -0.597) 3.391 9.935 ( 0.682 2.019 -0.287) 2.150 9.968 ( 0.083 -1.129 -0.407) 1.203 9.996 ( 1.500 1.283 1.089) 2.255 10.020 ( 1.579 -1.129 0.063) 1.942 10.064 ( -0.366 2.559 0.602) 2.655 10.124 ( 1.267 -3.040 -0.440) 3.322 10.451 ( -0.486 4.436 1.084) 4.592 10.525 ( 1.372 -0.400 -2.101) 2.541 10.588 ( -1.381 1.472 2.093) 2.908 10.679 ( 0.506 -5.297 -0.804) 5.382 10.748 ( -0.781 0.780 0.225) 1.127 10.760 ( -0.734 -0.479 -0.264) 0.915 10.950 ( 0.310 0.914 0.006) 0.965 10.979 ( 0.932 -2.199 -0.180) 2.395 12.105 ( 5.550 22.266 0.237) 22.948 12.118 ( 5.896 22.796 -0.161) 23.546 12.528 ( 13.840 -19.368 0.198) 23.805 12.555 ( 13.141 -20.232 -0.129) 24.125 14.075 ( -6.042 31.096 2.443) 31.771 14.329 ( 2.953 14.282 -5.188) 15.479 14.523 ( -2.197 -4.124 3.607) 5.903 14.628 ( -0.545 -6.465 -3.027) 7.160 15.191 ( -4.737 8.813 -0.715) 10.031 15.382 ( 2.327 -9.406 -0.613) 9.709 15.450 ( -1.645 5.136 -2.394) 5.901 15.527 ( 1.663 -5.297 -0.397) 5.566 15.986 ( -6.930 8.778 0.820) 11.214 16.068 ( -3.055 7.927 -1.679) 8.659 16.274 ( -3.141 -11.425 3.520) 12.361 16.348 ( -0.092 -12.305 -1.421) 12.387 19.751 ( -0.512 7.810 1.628) 7.994 19.772 ( -0.459 10.096 -1.206) 10.179 19.850 ( -3.118 -0.433 5.574) 6.401 19.984 ( 1.882 -8.738 4.396) 9.960 20.006 ( -5.879 -2.448 3.035) 7.054 20.064 ( -1.616 -7.418 4.021) 8.591 20.431 ( 3.087 0.981 -3.434) 4.720 20.466 ( 2.927 -2.415 -3.905) 5.445 21.014 ( -1.221 6.922 5.703) 9.051 21.157 ( 0.254 -7.244 2.241) 7.587 21.302 ( 4.118 2.706 -6.340) 8.030 21.372 ( 4.022 -4.240 -5.883) 8.292 21.748 ( -0.885 5.228 -0.294) 5.311 21.800 ( 0.593 6.435 -1.503) 6.635 21.866 ( -1.482 -4.992 0.547) 5.236 21.933 ( 0.892 -5.207 -2.473) 5.833 22.055 ( -1.520 4.829 1.734) 5.351 22.106 ( 0.103 4.193 1.510) 4.458 22.152 ( -1.103 -3.132 3.115) 4.552 22.181 ( -1.566 -3.198 1.101) 3.727 22.303 ( 1.972 1.123 -1.175) 2.555 22.339 ( -0.185 -2.987 -4.324) 5.259 22.474 ( 2.128 3.175 -3.405) 5.118 22.540 ( 2.490 -3.522 -5.075) 6.660 22.664 ( -2.444 -0.087 -2.337) 3.383 22.674 ( -1.833 -0.378 1.854) 2.634 22.696 ( -0.564 -0.296 0.995) 1.181 22.723 ( 0.537 -2.056 3.303) 3.927 23.071 ( 0.470 1.446 1.263) 1.977 23.085 ( 0.848 0.084 0.273) 0.895 23.104 ( 0.295 1.451 0.249) 1.501 23.125 ( 1.353 -0.509 0.033) 1.446 23.226 ( -1.929 0.829 -1.574) 2.624 23.256 ( 0.480 0.905 3.583) 3.727 23.257 ( -1.664 -2.234 -0.504) 2.831 23.306 ( 0.115 -4.153 2.342) 4.770 ======================= Grid point 70 (33/44) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -5.417 0.000 -13.311) 14.371 0.567 ( 5.417 0.000 13.311) 14.371 0.655 ( 0.828 0.000 -13.538) 13.563 0.655 ( -0.828 0.000 13.538) 13.563 1.072 ( 1.238 0.000 -22.632) 22.666 1.072 ( -1.238 0.000 22.632) 22.666 1.096 ( -5.807 0.000 -4.194) 7.163 1.096 ( 5.807 0.000 4.194) 7.163 1.228 ( -0.007 0.000 -5.101) 5.101 1.228 ( 0.007 0.000 5.101) 5.101 1.296 ( -3.590 0.000 1.077) 3.748 1.296 ( 3.590 0.000 -1.077) 3.748 1.312 ( -1.163 0.000 0.315) 1.205 1.312 ( 1.163 0.000 -0.315) 1.205 1.372 ( -2.121 0.000 -0.786) 2.262 1.372 ( 2.121 0.000 0.786) 2.262 1.460 ( 3.192 0.000 -3.146) 4.482 1.460 ( -3.192 0.000 3.146) 4.482 1.525 ( 0.297 0.000 -1.328) 1.361 1.525 ( -0.297 0.000 1.328) 1.361 1.538 ( 1.509 0.000 -2.421) 2.852 1.538 ( -1.509 0.000 2.421) 2.852 1.563 ( -0.938 0.000 0.209) 0.961 1.563 ( 0.938 0.000 -0.209) 0.961 1.595 ( -1.922 0.000 -0.592) 2.012 1.595 ( 1.922 0.000 0.592) 2.012 1.624 ( -2.061 0.000 -2.432) 3.188 1.624 ( 2.061 0.000 2.432) 3.188 1.692 ( -0.841 0.000 -0.140) 0.853 1.692 ( 0.841 0.000 0.140) 0.853 1.726 ( -1.403 0.000 0.429) 1.467 1.726 ( 1.403 0.000 -0.429) 1.467 1.800 ( -2.754 0.000 -5.095) 5.791 1.800 ( 2.754 0.000 5.095) 5.791 1.883 ( 3.671 0.000 -4.723) 5.981 1.883 ( -3.671 0.000 4.723) 5.981 2.037 ( -4.439 0.000 -3.699) 5.779 2.037 ( 4.439 0.000 3.699) 5.779 2.107 ( -0.636 0.000 -2.312) 2.398 2.107 ( 0.636 0.000 2.312) 2.398 2.158 ( -9.155 0.000 1.415) 9.264 2.158 ( 9.155 0.000 -1.415) 9.264 2.239 ( -0.554 0.000 -1.308) 1.421 2.239 ( 0.554 0.000 1.308) 1.421 2.270 ( -8.664 0.000 0.752) 8.697 2.270 ( 8.664 0.000 -0.752) 8.697 2.392 ( -4.459 0.000 0.097) 4.460 2.392 ( 4.459 0.000 -0.097) 4.460 2.532 ( -0.216 0.000 -0.553) 0.594 2.532 ( 0.216 0.000 0.553) 0.594 2.741 ( 0.668 0.000 -2.677) 2.759 2.741 ( -0.668 0.000 2.677) 2.759 2.837 ( -1.621 0.000 -1.320) 2.091 2.837 ( 1.621 0.000 1.320) 2.091 2.850 ( -2.495 0.000 0.497) 2.544 2.850 ( 2.495 0.000 -0.497) 2.544 3.190 ( 0.458 0.000 -1.344) 1.420 3.190 ( -0.458 0.000 1.344) 1.420 3.371 ( 9.480 0.000 -5.987) 11.212 3.371 ( -9.480 0.000 5.987) 11.212 3.487 ( 3.119 0.000 -7.778) 8.381 3.487 ( -3.119 0.000 7.778) 8.381 3.526 ( -2.325 0.000 -4.539) 5.100 3.526 ( 2.325 0.000 4.539) 5.100 3.673 ( 2.083 0.000 -0.907) 2.272 3.673 ( -2.083 0.000 0.907) 2.272 3.765 ( -0.949 0.000 -1.385) 1.679 3.765 ( 0.949 0.000 1.385) 1.679 4.004 ( -3.077 0.000 -3.313) 4.521 4.004 ( 3.077 0.000 3.313) 4.521 4.103 ( -2.733 0.000 -0.737) 2.830 4.103 ( 2.733 0.000 0.737) 2.830 4.141 ( -1.156 0.000 0.146) 1.165 4.141 ( 1.156 0.000 -0.146) 1.165 4.263 ( -3.543 0.000 -3.450) 4.945 4.263 ( 3.543 0.000 3.450) 4.945 4.309 ( -0.731 0.000 -1.972) 2.103 4.309 ( 0.731 0.000 1.972) 2.103 4.404 ( -1.906 0.000 -0.251) 1.922 4.404 ( 1.906 0.000 0.251) 1.922 4.508 ( -0.207 0.000 -3.285) 3.292 4.508 ( 0.207 0.000 3.285) 3.292 4.727 ( 2.029 0.000 -13.986) 14.132 4.727 ( -2.029 0.000 13.986) 14.132 4.887 ( 3.773 0.000 -6.762) 7.744 4.887 ( -3.773 0.000 6.762) 7.744 5.116 ( -6.041 0.000 1.603) 6.250 5.116 ( 6.041 0.000 -1.603) 6.250 5.183 ( -0.570 0.000 -1.839) 1.925 5.183 ( 0.570 0.000 1.839) 1.925 5.329 ( 0.959 0.000 -1.492) 1.773 5.329 ( -0.959 0.000 1.492) 1.773 5.376 ( -0.266 0.000 -0.579) 0.637 5.376 ( 0.266 0.000 0.579) 0.637 5.491 ( 7.339 0.000 -4.405) 8.559 5.491 ( -7.339 0.000 4.405) 8.559 5.590 ( -1.825 0.000 -2.095) 2.779 5.590 ( 1.825 0.000 2.095) 2.779 5.767 ( 0.003 0.000 -5.138) 5.138 5.767 ( -0.003 0.000 5.138) 5.138 5.987 ( -5.719 0.000 -4.767) 7.445 5.987 ( 5.719 0.000 4.767) 7.445 6.133 ( 2.537 0.000 -2.831) 3.801 6.133 ( -2.537 0.000 2.831) 3.801 6.377 ( -6.537 0.000 -0.728) 6.577 6.377 ( 6.537 0.000 0.728) 6.577 6.435 ( 0.117 0.000 -1.228) 1.233 6.435 ( -0.117 0.000 1.228) 1.233 6.644 ( -2.321 0.000 -1.907) 3.004 6.644 ( 2.321 0.000 1.907) 3.004 7.157 ( -2.773 0.000 -4.061) 4.917 7.157 ( 2.773 0.000 4.061) 4.917 7.272 ( -1.330 0.000 -1.551) 2.043 7.272 ( 1.330 0.000 1.551) 2.043 7.653 ( 0.871 0.000 -0.590) 1.052 7.653 ( -0.871 0.000 0.590) 1.052 7.974 ( 0.438 0.000 -0.603) 0.745 7.974 ( -0.438 0.000 0.603) 0.745 8.477 ( -6.679 0.000 -4.694) 8.163 8.477 ( 6.679 0.000 4.694) 8.163 8.893 ( -0.796 0.000 -0.060) 0.798 8.893 ( 0.796 0.000 0.060) 0.798 8.957 ( -1.010 0.000 -0.220) 1.034 8.957 ( 1.010 0.000 0.220) 1.034 9.192 ( 0.689 0.000 -1.800) 1.928 9.192 ( -0.689 0.000 1.800) 1.928 9.300 ( 0.548 0.000 -2.448) 2.509 9.300 ( -0.548 0.000 2.448) 2.509 9.418 ( 6.890 0.000 -3.824) 7.880 9.418 ( -6.890 0.000 3.824) 7.880 9.585 ( 3.125 0.000 -2.214) 3.830 9.585 ( -3.125 0.000 2.214) 3.830 9.678 ( 0.777 0.000 -0.661) 1.020 9.678 ( -0.777 0.000 0.661) 1.020 9.781 ( 3.715 0.000 -1.555) 4.027 9.781 ( -3.715 0.000 1.555) 4.027 9.856 ( 0.571 0.000 -2.707) 2.766 9.856 ( -0.571 0.000 2.707) 2.766 9.888 ( 2.681 0.000 -1.391) 3.020 9.888 ( -2.681 0.000 1.391) 3.020 10.078 ( -1.347 0.000 -0.479) 1.429 10.078 ( 1.347 0.000 0.479) 1.429 10.177 ( -3.931 0.000 0.797) 4.011 10.177 ( 3.931 0.000 -0.797) 4.011 10.236 ( -2.120 0.000 -0.289) 2.139 10.236 ( 2.120 0.000 0.289) 2.139 10.701 ( 2.522 0.000 -1.028) 2.723 10.701 ( -2.522 0.000 1.028) 2.723 10.821 ( -0.381 0.000 -3.592) 3.612 10.821 ( 0.381 0.000 3.592) 3.612 11.119 ( -3.380 0.000 -2.449) 4.174 11.119 ( 3.380 0.000 2.449) 4.174 11.225 ( -3.469 0.000 0.407) 3.493 11.225 ( 3.469 0.000 -0.407) 3.493 11.739 ( 0.662 0.000 -0.307) 0.730 11.739 ( -0.662 0.000 0.307) 0.730 13.536 ( 0.067 0.000 -0.388) 0.394 13.536 ( -0.067 0.000 0.388) 0.394 14.287 ( -31.950 0.000 -6.883) 32.683 14.287 ( 31.950 0.000 6.883) 32.683 14.762 ( -15.079 0.000 1.794) 15.186 14.762 ( 15.079 0.000 -1.794) 15.186 15.784 ( -4.472 0.000 -0.848) 4.551 15.784 ( 4.472 0.000 0.848) 4.551 15.913 ( -6.161 0.000 0.621) 6.192 15.913 ( 6.161 0.000 -0.621) 6.192 16.672 ( -2.872 0.000 0.403) 2.901 16.672 ( 2.872 0.000 -0.403) 2.901 19.933 ( -4.651 0.000 -1.456) 4.874 19.933 ( 4.651 0.000 1.456) 4.874 20.066 ( 3.651 0.000 -8.294) 9.062 20.066 ( -3.651 0.000 8.294) 9.062 20.274 ( -0.917 0.000 0.141) 0.928 20.274 ( 0.917 0.000 -0.141) 0.928 20.445 ( 0.475 0.000 -11.147) 11.157 20.445 ( -0.475 0.000 11.147) 11.157 21.032 ( 3.506 0.000 -2.947) 4.580 21.032 ( -3.506 0.000 2.947) 4.580 21.464 ( 0.350 0.000 -0.931) 0.994 21.464 ( -0.350 0.000 0.931) 0.994 21.784 ( -1.634 0.000 -2.118) 2.676 21.784 ( 1.634 0.000 2.118) 2.676 21.913 ( -2.151 0.000 -0.731) 2.271 21.913 ( 2.151 0.000 0.731) 2.271 22.042 ( -0.539 0.000 -1.210) 1.325 22.042 ( 0.539 0.000 1.210) 1.325 22.140 ( 1.115 0.000 -3.349) 3.530 22.140 ( -1.115 0.000 3.349) 3.530 22.359 ( -2.764 0.000 -3.202) 4.230 22.359 ( 2.764 0.000 3.202) 4.230 22.705 ( -1.244 0.000 -2.973) 3.223 22.705 ( 1.244 0.000 2.973) 3.223 22.778 ( 0.145 0.000 -1.938) 1.944 22.778 ( -0.145 0.000 1.938) 1.944 22.821 ( 0.230 0.000 -1.724) 1.740 22.821 ( -0.230 0.000 1.724) 1.740 23.003 ( -1.296 0.000 -1.193) 1.762 23.003 ( 1.296 0.000 1.193) 1.762 23.041 ( 0.036 0.000 -0.818) 0.819 23.041 ( -0.036 0.000 0.818) 0.819 23.383 ( -1.264 0.000 0.086) 1.267 23.383 ( 1.264 0.000 -0.086) 1.267 23.607 ( -4.008 0.000 -0.514) 4.041 23.607 ( 4.008 0.000 0.514) 4.041 ======================= Grid point 72 (34/44) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 4.844 0.000 -14.124) 14.932 0.520 ( 5.874 0.000 -17.189) 18.165 0.753 ( -1.083 0.000 10.601) 10.656 0.782 ( -0.108 0.000 14.788) 14.788 0.950 ( -6.508 0.000 2.370) 6.926 0.993 ( 13.872 0.000 -16.701) 21.710 1.069 ( -13.289 0.000 1.730) 13.401 1.157 ( -1.412 0.000 -5.691) 5.864 1.179 ( -3.032 0.000 2.898) 4.194 1.273 ( 1.379 0.000 0.298) 1.411 1.312 ( 2.213 0.000 -2.952) 3.689 1.331 ( 2.138 0.000 8.378) 8.647 1.342 ( 0.724 0.000 0.139) 0.737 1.344 ( -0.460 0.000 0.150) 0.484 1.372 ( 2.225 0.000 2.900) 3.655 1.388 ( 0.934 0.000 0.117) 0.941 1.445 ( -0.358 0.000 -2.435) 2.461 1.459 ( 0.655 0.000 0.583) 0.877 1.503 ( -0.776 0.000 -2.089) 2.228 1.505 ( -2.296 0.000 1.530) 2.759 1.519 ( 0.504 0.000 -1.302) 1.396 1.519 ( 0.325 0.000 -0.147) 0.357 1.568 ( -1.580 0.000 3.110) 3.489 1.569 ( -2.467 0.000 0.031) 2.467 1.573 ( 0.514 0.000 -2.155) 2.215 1.604 ( 0.249 0.000 0.766) 0.805 1.625 ( 0.362 0.000 -0.932) 1.000 1.653 ( -1.521 0.000 -0.205) 1.534 1.659 ( 1.499 0.000 1.725) 2.286 1.689 ( -1.235 0.000 -1.307) 1.798 1.706 ( 0.620 0.000 -1.181) 1.334 1.743 ( 0.913 0.000 0.115) 0.920 1.859 ( 3.482 0.000 12.517) 12.993 1.916 ( -2.853 0.000 10.553) 10.932 1.927 ( 1.640 0.000 1.477) 2.206 1.962 ( 5.923 0.000 3.372) 6.816 2.011 ( 6.029 0.000 3.303) 6.875 2.053 ( -1.120 0.000 5.238) 5.356 2.138 ( -3.714 0.000 -1.834) 4.142 2.150 ( -1.189 0.000 2.674) 2.927 2.160 ( 4.435 0.000 -1.664) 4.737 2.230 ( 2.950 0.000 -1.314) 3.230 2.243 ( 2.113 0.000 1.804) 2.778 2.244 ( -0.180 0.000 -1.649) 1.659 2.337 ( -1.515 0.000 2.298) 2.752 2.405 ( 10.624 0.000 -1.280) 10.701 2.443 ( 0.598 0.000 0.778) 0.981 2.551 ( 2.888 0.000 -0.057) 2.889 2.577 ( 9.023 0.000 -1.736) 9.188 2.679 ( 3.675 0.000 -5.738) 6.814 2.705 ( -5.199 0.000 -0.157) 5.201 2.738 ( 7.819 0.000 4.465) 9.004 2.791 ( 1.725 0.000 4.889) 5.184 2.838 ( 8.936 0.000 3.514) 9.602 2.841 ( -0.321 0.000 -0.898) 0.954 2.939 ( 8.472 0.000 1.285) 8.569 3.161 ( -2.406 0.000 -2.789) 3.684 3.174 ( 2.266 0.000 -5.496) 5.945 3.323 ( -0.309 0.000 8.781) 8.787 3.410 ( 3.656 0.000 -6.152) 7.156 3.426 ( -3.896 0.000 -3.767) 5.420 3.451 ( 2.175 0.000 -9.829) 10.067 3.521 ( -0.862 0.000 5.982) 6.044 3.596 ( 1.603 0.000 4.011) 4.320 3.682 ( -0.052 0.000 1.872) 1.873 3.723 ( 1.873 0.000 1.896) 2.665 3.764 ( 2.814 0.000 -1.362) 3.126 3.794 ( 0.217 0.000 0.756) 0.787 3.910 ( -2.619 0.000 -2.844) 3.866 4.003 ( -2.374 0.000 -1.212) 2.665 4.032 ( -4.376 0.000 -6.276) 7.651 4.047 ( -4.936 0.000 -1.746) 5.236 4.114 ( -0.060 0.000 0.459) 0.463 4.175 ( 3.743 0.000 -2.848) 4.703 4.216 ( -1.902 0.000 -0.696) 2.025 4.285 ( 0.842 0.000 -2.543) 2.679 4.308 ( 2.406 0.000 -3.518) 4.262 4.368 ( 0.247 0.000 6.888) 6.892 4.433 ( 3.184 0.000 -3.663) 4.854 4.501 ( 2.916 0.000 9.895) 10.316 4.581 ( 7.663 0.000 4.118) 8.699 4.616 ( 8.889 0.000 4.204) 9.833 4.640 ( 4.052 0.000 -9.056) 9.921 4.762 ( -8.965 0.000 9.127) 12.793 4.840 ( 3.120 0.000 -11.474) 11.890 4.870 ( -3.263 0.000 1.659) 3.661 5.068 ( -4.944 0.000 1.824) 5.270 5.109 ( -1.685 0.000 -2.963) 3.409 5.188 ( -1.839 0.000 1.383) 2.301 5.276 ( 6.429 0.000 -0.924) 6.496 5.299 ( -1.124 0.000 -1.679) 2.021 5.327 ( 3.191 0.000 2.567) 4.096 5.371 ( -2.282 0.000 4.888) 5.394 5.413 ( 0.956 0.000 0.988) 1.375 5.441 ( -4.891 0.000 -3.415) 5.966 5.474 ( -1.974 0.000 7.163) 7.430 5.567 ( 0.637 0.000 -1.754) 1.866 5.591 ( -5.930 0.000 -1.693) 6.167 5.806 ( -3.295 0.000 -5.636) 6.529 5.815 ( 0.049 0.000 3.281) 3.281 5.862 ( 11.875 0.000 -0.132) 11.876 6.009 ( -4.477 0.000 2.341) 5.052 6.146 ( 0.670 0.000 3.242) 3.311 6.181 ( 3.680 0.000 -0.012) 3.680 6.299 ( -4.230 0.000 0.083) 4.231 6.407 ( -0.685 0.000 -2.082) 2.191 6.409 ( -2.879 0.000 -1.299) 3.159 6.493 ( 1.937 0.000 -1.467) 2.430 6.801 ( 12.684 0.000 -2.526) 12.933 6.850 ( 19.404 0.000 5.649) 20.210 7.129 ( 3.523 0.000 -1.663) 3.896 7.276 ( 3.534 0.000 2.114) 4.118 7.292 ( 7.873 0.000 -2.335) 8.212 7.346 ( 8.806 0.000 6.049) 10.684 7.668 ( 1.925 0.000 -1.503) 2.442 7.678 ( 3.365 0.000 1.387) 3.639 7.979 ( 1.180 0.000 -0.555) 1.304 8.021 ( 6.836 0.000 5.397) 8.710 8.318 ( -7.591 0.000 -3.142) 8.215 8.607 ( 5.229 0.000 1.873) 5.554 8.879 ( -1.253 0.000 0.732) 1.451 8.901 ( -0.183 0.000 0.450) 0.485 8.938 ( -0.726 0.000 -0.289) 0.782 8.965 ( 0.644 0.000 -1.294) 1.445 9.148 ( -1.256 0.000 -4.851) 5.011 9.175 ( -2.632 0.000 0.791) 2.748 9.326 ( 1.840 0.000 2.563) 3.155 9.334 ( -0.147 0.000 4.136) 4.139 9.360 ( -5.816 0.000 6.052) 8.393 9.488 ( 2.676 0.000 1.175) 2.923 9.562 ( -1.420 0.000 0.789) 1.625 9.594 ( 1.310 0.000 -3.888) 4.103 9.622 ( -4.716 0.000 -0.421) 4.735 9.659 ( -0.918 0.000 -2.418) 2.586 9.711 ( -4.198 0.000 -2.114) 4.700 9.738 ( -4.844 0.000 -0.101) 4.845 9.842 ( 0.579 0.000 0.607) 0.839 9.870 ( -0.339 0.000 3.294) 3.311 9.911 ( 0.536 0.000 0.783) 0.949 9.933 ( 2.159 0.000 -0.823) 2.311 10.090 ( 1.841 0.000 0.707) 1.972 10.114 ( 1.917 0.000 -0.421) 1.962 10.137 ( -2.855 0.000 1.826) 3.389 10.173 ( -4.488 0.000 -2.823) 5.302 10.250 ( 5.749 0.000 -0.263) 5.755 10.294 ( 5.152 0.000 -0.088) 5.153 10.666 ( -1.718 0.000 -0.527) 1.797 10.720 ( 0.524 0.000 -0.948) 1.083 10.807 ( 1.533 0.000 -1.161) 1.923 10.869 ( 2.492 0.000 2.088) 3.251 11.003 ( -3.505 0.000 -4.226) 5.490 11.118 ( -3.587 0.000 2.471) 4.356 11.489 ( 28.612 0.000 -8.648) 29.890 11.627 ( 32.492 0.000 19.782) 38.040 11.775 ( 4.366 0.000 0.288) 4.375 11.836 ( 21.446 0.000 7.704) 22.788 13.495 ( -6.539 0.000 -0.577) 6.564 13.502 ( -4.180 0.000 0.339) 4.193 13.569 ( -46.058 0.000 -0.643) 46.062 14.342 ( -21.350 0.000 6.192) 22.230 14.947 ( 25.102 0.000 0.256) 25.103 15.044 ( 19.023 0.000 -1.520) 19.084 15.678 ( -6.230 0.000 0.478) 6.249 15.725 ( -7.252 0.000 0.171) 7.254 15.977 ( 7.716 0.000 1.197) 7.808 16.049 ( 9.879 0.000 -1.830) 10.047 16.626 ( -3.448 0.000 1.141) 3.632 16.693 ( 0.668 0.000 -1.893) 2.007 19.742 ( -3.880 0.000 -19.597) 19.978 19.857 ( -7.896 0.000 -17.123) 18.856 19.948 ( 1.689 0.000 -13.466) 13.571 19.992 ( -8.007 0.000 0.155) 8.009 20.353 ( -0.088 0.000 11.916) 11.917 20.354 ( 1.391 0.000 11.110) 11.197 20.428 ( 2.164 0.000 1.308) 2.528 20.566 ( 0.560 0.000 7.994) 8.013 21.002 ( -6.366 0.000 6.298) 8.955 21.074 ( 2.336 0.000 1.351) 2.698 21.434 ( -2.488 0.000 -2.181) 3.309 21.466 ( -1.693 0.000 3.957) 4.304 21.696 ( -3.333 0.000 -5.751) 6.647 21.723 ( -4.233 0.000 -9.609) 10.500 21.881 ( -0.666 0.000 -0.146) 0.682 21.921 ( -0.461 0.000 -1.239) 1.322 22.057 ( 2.431 0.000 -0.599) 2.504 22.088 ( -0.881 0.000 5.864) 5.929 22.147 ( 1.624 0.000 0.181) 1.634 22.174 ( 0.201 0.000 4.541) 4.545 22.304 ( -1.214 0.000 -1.517) 1.943 22.447 ( 2.253 0.000 4.125) 4.700 22.583 ( -6.461 0.000 -8.004) 10.287 22.727 ( -1.900 0.000 4.560) 4.940 22.754 ( -0.295 0.000 -2.972) 2.987 22.790 ( -0.024 0.000 0.871) 0.871 22.812 ( 0.843 0.000 -1.510) 1.729 22.827 ( -0.669 0.000 0.810) 1.051 22.981 ( -0.816 0.000 -0.156) 0.831 23.004 ( -1.258 0.000 -0.919) 1.558 23.047 ( -0.143 0.000 0.245) 0.284 23.081 ( 2.158 0.000 4.071) 4.607 23.341 ( -2.614 0.000 -1.613) 3.071 23.350 ( -6.812 0.000 -4.251) 8.030 23.451 ( -3.832 0.000 -6.278) 7.355 23.599 ( -3.920 0.000 0.536) 3.957 ======================= Grid point 73 (35/44) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 14.211 0.000 -6.643) 15.687 0.599 ( 15.263 0.000 -4.821) 16.007 0.651 ( -12.565 0.000 1.893) 12.707 0.832 ( -15.274 0.000 2.124) 15.420 0.942 ( 1.820 0.000 8.178) 8.378 1.019 ( -0.056 0.000 1.311) 1.313 1.063 ( 4.598 0.000 3.235) 5.622 1.135 ( 12.167 0.000 -12.043) 17.119 1.161 ( -3.868 0.000 2.588) 4.654 1.223 ( -4.312 0.000 -2.160) 4.822 1.284 ( 1.643 0.000 -5.280) 5.530 1.302 ( -6.856 0.000 4.776) 8.356 1.346 ( -0.419 0.000 0.986) 1.071 1.355 ( 0.394 0.000 -2.600) 2.629 1.422 ( 2.890 0.000 -0.851) 3.013 1.425 ( 0.219 0.000 3.581) 3.588 1.475 ( -1.309 0.000 0.960) 1.624 1.475 ( 0.197 0.000 0.839) 0.862 1.477 ( 0.372 0.000 2.236) 2.267 1.488 ( 0.412 0.000 -0.871) 0.963 1.507 ( -0.366 0.000 -0.958) 1.026 1.524 ( -1.351 0.000 -1.378) 1.930 1.547 ( 0.734 0.000 0.062) 0.736 1.556 ( 0.224 0.000 -1.777) 1.791 1.588 ( -0.753 0.000 0.389) 0.847 1.603 ( -0.954 0.000 -1.303) 1.615 1.620 ( 1.497 0.000 4.211) 4.469 1.669 ( 1.632 0.000 0.996) 1.912 1.676 ( -1.473 0.000 -1.668) 2.225 1.691 ( 0.040 0.000 -0.242) 0.245 1.708 ( 2.538 0.000 1.409) 2.903 1.749 ( -0.399 0.000 -1.024) 1.099 1.924 ( 3.185 0.000 -4.945) 5.882 1.949 ( -5.903 0.000 7.343) 9.422 2.025 ( -1.114 0.000 7.505) 7.587 2.057 ( 1.903 0.000 0.127) 1.907 2.085 ( 2.520 0.000 8.325) 8.698 2.127 ( 1.313 0.000 4.382) 4.575 2.136 ( 4.114 0.000 0.750) 4.182 2.175 ( 0.833 0.000 -4.636) 4.711 2.182 ( -1.654 0.000 2.290) 2.825 2.188 ( -1.457 0.000 -3.408) 3.706 2.294 ( 2.037 0.000 1.068) 2.300 2.313 ( -0.770 0.000 2.964) 3.062 2.353 ( 5.141 0.000 6.139) 8.007 2.458 ( 4.110 0.000 0.483) 4.138 2.481 ( 3.623 0.000 -1.034) 3.767 2.539 ( -2.348 0.000 -6.343) 6.764 2.566 ( -5.022 0.000 -6.023) 7.842 2.585 ( -7.020 0.000 -0.984) 7.088 2.695 ( 4.559 0.000 -1.603) 4.832 2.724 ( -2.232 0.000 1.938) 2.956 2.779 ( -0.492 0.000 2.242) 2.295 2.815 ( -1.052 0.000 -2.158) 2.401 3.013 ( 0.521 0.000 -2.029) 2.095 3.040 ( -4.598 0.000 1.409) 4.809 3.177 ( 6.343 0.000 7.481) 9.808 3.263 ( 11.758 0.000 -4.616) 12.632 3.341 ( -1.543 0.000 -10.501) 10.614 3.346 ( -3.732 0.000 1.057) 3.879 3.440 ( 7.115 0.000 -3.718) 8.028 3.486 ( 0.577 0.000 7.023) 7.047 3.598 ( -0.771 0.000 8.382) 8.417 3.630 ( -1.922 0.000 1.447) 2.406 3.679 ( 1.958 0.000 -0.421) 2.003 3.737 ( -3.231 0.000 1.941) 3.769 3.787 ( 0.347 0.000 -0.639) 0.727 3.801 ( 4.097 0.000 0.782) 4.171 3.867 ( -1.570 0.000 -8.783) 8.922 3.920 ( -7.639 0.000 -0.816) 7.682 3.944 ( 3.690 0.000 -1.450) 3.964 3.983 ( -1.798 0.000 1.786) 2.534 4.141 ( -1.161 0.000 2.573) 2.823 4.161 ( -0.574 0.000 -3.458) 3.505 4.181 ( -1.113 0.000 3.066) 3.262 4.228 ( 0.363 0.000 -7.075) 7.084 4.352 ( 6.248 0.000 -3.471) 7.147 4.401 ( -2.492 0.000 1.646) 2.987 4.534 ( 8.753 0.000 2.876) 9.213 4.621 ( 0.604 0.000 7.594) 7.618 4.652 ( 5.536 0.000 -5.171) 7.575 4.675 ( -7.637 0.000 3.320) 8.327 4.729 ( 4.278 0.000 -1.314) 4.475 4.773 ( -1.305 0.000 4.331) 4.523 4.805 ( -0.853 0.000 -0.879) 1.225 4.814 ( 5.157 0.000 -4.905) 7.117 4.984 ( -5.311 0.000 3.417) 6.315 5.034 ( -4.996 0.000 -1.524) 5.223 5.187 ( 1.505 0.000 -1.040) 1.829 5.253 ( -6.294 0.000 -2.944) 6.948 5.289 ( 0.128 0.000 2.241) 2.244 5.320 ( 0.315 0.000 -2.579) 2.598 5.402 ( 4.759 0.000 -1.950) 5.143 5.415 ( -1.099 0.000 7.001) 7.087 5.470 ( -3.664 0.000 1.755) 4.063 5.478 ( -1.033 0.000 -2.474) 2.681 5.542 ( 3.505 0.000 2.247) 4.163 5.582 ( 1.157 0.000 -0.925) 1.481 5.764 ( 3.569 0.000 -2.776) 4.521 5.818 ( -4.016 0.000 2.352) 4.654 5.969 ( -0.934 0.000 0.799) 1.229 5.973 ( 1.634 0.000 -0.528) 1.717 6.210 ( -0.598 0.000 1.189) 1.331 6.213 ( 0.298 0.000 0.655) 0.720 6.278 ( 3.671 0.000 3.299) 4.936 6.357 ( -0.152 0.000 -5.521) 5.523 6.365 ( -1.899 0.000 2.379) 3.044 6.437 ( -4.210 0.000 -4.054) 5.844 6.926 ( 5.744 0.000 0.353) 5.754 6.995 ( -1.300 0.000 0.141) 1.307 7.213 ( 4.534 0.000 2.456) 5.156 7.280 ( -1.482 0.000 -1.055) 1.819 7.439 ( 11.084 0.000 -3.683) 11.679 7.502 ( -0.533 0.000 3.696) 3.734 7.683 ( 1.688 0.000 -0.736) 1.841 7.710 ( -1.263 0.000 -0.209) 1.280 8.018 ( 6.680 0.000 -3.196) 7.406 8.125 ( -9.675 0.000 3.436) 10.267 8.424 ( 11.746 0.000 17.155) 20.791 8.639 ( 0.145 0.000 -7.373) 7.375 8.875 ( -0.538 0.000 1.902) 1.976 8.893 ( -0.802 0.000 -0.468) 0.929 8.938 ( 0.200 0.000 1.222) 1.238 8.955 ( 0.371 0.000 -2.103) 2.135 9.095 ( 1.270 0.000 -3.709) 3.920 9.126 ( -4.260 0.000 0.926) 4.359 9.344 ( -2.718 0.000 6.068) 6.649 9.363 ( 1.051 0.000 -1.216) 1.607 9.404 ( 2.458 0.000 3.189) 4.026 9.465 ( -4.835 0.000 0.646) 4.878 9.552 ( -0.543 0.000 2.072) 2.141 9.563 ( -0.053 0.000 -2.548) 2.549 9.604 ( -1.618 0.000 -2.469) 2.952 9.605 ( -1.971 0.000 -2.077) 2.864 9.637 ( 1.341 0.000 0.546) 1.448 9.684 ( -1.687 0.000 -1.726) 2.414 9.867 ( 1.488 0.000 -0.119) 1.492 9.882 ( -1.411 0.000 1.645) 2.167 9.923 ( 0.031 0.000 1.595) 1.595 9.938 ( 0.276 0.000 -1.451) 1.477 10.094 ( 1.177 0.000 -4.303) 4.461 10.100 ( -3.148 0.000 3.154) 4.456 10.130 ( 0.457 0.000 0.306) 0.550 10.134 ( 0.613 0.000 -0.599) 0.857 10.334 ( 4.078 0.000 0.191) 4.083 10.359 ( 2.000 0.000 -0.553) 2.075 10.658 ( 1.980 0.000 -0.897) 2.174 10.696 ( -2.612 0.000 0.159) 2.617 10.839 ( 2.553 0.000 1.098) 2.779 10.906 ( -2.816 0.000 -2.685) 3.891 10.962 ( 5.467 0.000 0.334) 5.477 11.058 ( -6.032 0.000 0.966) 6.109 11.810 ( 7.342 0.000 -2.614) 7.794 11.819 ( 2.369 0.000 1.237) 2.672 11.981 ( 37.460 0.000 -7.796) 38.263 12.570 ( -35.003 0.000 14.921) 38.051 13.258 ( 25.247 0.000 42.232) 49.203 13.439 ( -3.144 0.000 0.231) 3.153 13.449 ( -0.651 0.000 2.607) 2.687 13.996 ( -20.410 0.000 -13.677) 24.569 15.251 ( 11.682 0.000 -0.053) 11.682 15.275 ( 7.868 0.000 1.311) 7.976 15.615 ( -2.655 0.000 1.406) 3.004 15.634 ( -4.289 0.000 0.524) 4.321 16.103 ( 5.109 0.000 2.853) 5.851 16.148 ( 4.639 0.000 -3.542) 5.836 16.602 ( -1.701 0.000 3.486) 3.879 16.650 ( -1.308 0.000 -4.860) 5.033 19.497 ( -3.036 0.000 -13.757) 14.088 19.509 ( -7.131 0.000 -13.873) 15.598 19.883 ( 4.570 0.000 -10.453) 11.409 19.894 ( -6.474 0.000 4.625) 7.956 20.463 ( 0.443 0.000 6.232) 6.247 20.473 ( 1.185 0.000 6.952) 7.052 20.483 ( 0.652 0.000 6.066) 6.101 20.579 ( -1.175 0.000 -4.081) 4.246 20.974 ( -7.568 0.000 12.376) 14.507 21.040 ( 1.927 0.000 -14.794) 14.919 21.428 ( 3.289 0.000 4.703) 5.739 21.497 ( -0.935 0.000 6.097) 6.169 21.570 ( -4.265 0.000 -7.261) 8.421 21.574 ( -0.570 0.000 -9.520) 9.537 21.879 ( 0.506 0.000 0.084) 0.513 21.896 ( -1.004 0.000 -0.773) 1.267 22.080 ( 3.288 0.000 -3.695) 4.947 22.097 ( -3.735 0.000 4.299) 5.695 22.189 ( 1.676 0.000 2.202) 2.767 22.213 ( -0.559 0.000 2.191) 2.261 22.292 ( 0.293 0.000 0.844) 0.893 22.351 ( -3.176 0.000 -7.516) 8.159 22.597 ( 4.171 0.000 4.825) 6.378 22.698 ( -2.282 0.000 -4.369) 4.929 22.755 ( -1.102 0.000 5.414) 5.525 22.787 ( 0.285 0.000 -2.474) 2.491 22.816 ( 1.393 0.000 -1.545) 2.080 22.822 ( -1.064 0.000 1.172) 1.583 22.971 ( -0.138 0.000 -0.259) 0.293 22.977 ( -0.843 0.000 -0.528) 0.995 23.050 ( -0.112 0.000 1.764) 1.768 23.093 ( -2.502 0.000 -2.215) 3.341 23.239 ( 1.386 0.000 -0.691) 1.548 23.283 ( -2.259 0.000 -1.939) 2.977 23.444 ( 4.489 0.000 -1.901) 4.875 23.522 ( -5.875 0.000 0.366) 5.886 ======================= Grid point 76 (36/44) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -5.855 5.075 -16.940) 18.628 0.611 ( 5.855 5.075 16.940) 18.628 0.707 ( 5.989 5.702 -13.970) 16.234 0.707 ( -5.989 5.702 13.970) 16.234 1.102 ( 1.471 2.108 -3.507) 4.348 1.102 ( -1.471 2.108 3.507) 4.348 1.147 ( 2.158 5.235 -8.042) 9.836 1.147 ( -2.158 5.235 8.042) 9.836 1.252 ( -0.214 2.673 -6.025) 6.595 1.252 ( 0.214 2.673 6.025) 6.595 1.308 ( -2.335 0.701 0.075) 2.439 1.308 ( 2.335 0.701 -0.075) 2.439 1.333 ( -4.047 2.062 -0.700) 4.596 1.333 ( 4.047 2.062 0.700) 4.596 1.367 ( -1.004 -0.173 -0.844) 1.323 1.367 ( 1.004 -0.173 0.844) 1.323 1.450 ( -1.097 -1.193 -1.845) 2.456 1.450 ( 1.097 -1.193 1.845) 2.456 1.492 ( 1.193 -2.041 -1.406) 2.750 1.492 ( -1.193 -2.041 1.406) 2.750 1.512 ( -3.475 -0.998 0.274) 3.625 1.512 ( 3.475 -0.998 -0.274) 3.625 1.575 ( -1.885 -0.228 -1.061) 2.175 1.575 ( 1.885 -0.228 1.061) 2.175 1.601 ( 0.013 -0.980 -2.181) 2.391 1.601 ( -0.013 -0.980 2.181) 2.391 1.611 ( -0.022 -0.563 -3.442) 3.488 1.611 ( 0.022 -0.563 3.442) 3.488 1.711 ( -0.112 -1.944 -1.765) 2.628 1.711 ( 0.112 -1.944 1.765) 2.628 1.717 ( -0.417 3.432 -1.724) 3.863 1.717 ( 0.417 3.432 1.724) 3.863 1.804 ( 0.454 0.089 -2.444) 2.488 1.804 ( -0.454 0.089 2.444) 2.488 1.887 ( -2.294 0.486 -2.666) 3.550 1.887 ( 2.294 0.486 2.666) 3.550 2.041 ( 1.533 1.094 -2.486) 3.119 2.041 ( -1.533 1.094 2.486) 3.119 2.086 ( -6.741 -1.350 -1.141) 6.969 2.086 ( 6.741 -1.350 1.141) 6.969 2.149 ( 5.478 1.075 -3.650) 6.670 2.149 ( -5.478 1.075 3.650) 6.670 2.257 ( -2.210 1.950 -0.927) 3.090 2.257 ( 2.210 1.950 0.927) 3.090 2.331 ( -0.158 0.856 -1.629) 1.847 2.331 ( 0.158 0.856 1.629) 1.847 2.420 ( 0.142 3.536 -4.121) 5.432 2.420 ( -0.142 3.536 4.121) 5.432 2.637 ( 0.940 -0.007 -2.508) 2.679 2.637 ( -0.940 -0.007 2.508) 2.679 2.701 ( -2.898 0.216 -3.694) 4.700 2.701 ( 2.898 0.216 3.694) 4.700 2.773 ( -2.036 1.320 -5.967) 6.441 2.773 ( 2.036 1.320 5.967) 6.441 2.947 ( -0.302 3.241 -1.243) 3.484 2.947 ( 0.302 3.241 1.243) 3.484 3.179 ( 0.653 -0.518 -4.452) 4.530 3.179 ( -0.653 -0.518 4.452) 4.530 3.376 ( 7.788 0.193 -5.557) 9.569 3.376 ( -7.788 0.193 5.557) 9.569 3.478 ( -0.484 -1.068 -2.892) 3.121 3.478 ( 0.484 -1.068 2.892) 3.121 3.517 ( 1.946 -0.093 -2.580) 3.233 3.517 ( -1.946 -0.093 2.580) 3.233 3.703 ( -1.472 2.432 -1.679) 3.302 3.703 ( 1.472 2.432 1.679) 3.302 3.801 ( -0.078 2.923 -4.507) 5.373 3.801 ( 0.078 2.923 4.507) 5.373 4.013 ( 1.299 -1.720 -1.173) 2.454 4.013 ( -1.299 -1.720 1.173) 2.454 4.097 ( -0.584 1.229 -5.472) 5.639 4.097 ( 0.584 1.229 5.472) 5.639 4.174 ( -4.641 2.805 -1.413) 5.604 4.174 ( 4.641 2.805 1.413) 5.604 4.274 ( 0.058 1.047 -2.637) 2.838 4.274 ( -0.058 1.047 2.637) 2.838 4.313 ( -1.853 0.003 -3.240) 3.733 4.313 ( 1.853 0.003 3.240) 3.733 4.432 ( -2.598 0.873 -0.454) 2.778 4.432 ( 2.598 0.873 0.454) 2.778 4.551 ( -2.802 5.763 -0.934) 6.476 4.551 ( 2.802 5.763 0.934) 6.476 4.711 ( 2.708 -1.064 -11.800) 12.154 4.711 ( -2.708 -1.064 11.800) 12.154 4.907 ( 3.157 0.561 -3.528) 4.768 4.907 ( -3.157 0.561 3.528) 4.768 5.107 ( -6.059 -1.592 -2.092) 6.605 5.107 ( 6.059 -1.592 2.092) 6.605 5.173 ( -3.342 0.274 -4.675) 5.754 5.173 ( 3.342 0.274 4.675) 5.754 5.304 ( -0.422 -2.837 -2.675) 3.922 5.304 ( 0.422 -2.837 2.675) 3.922 5.410 ( -0.537 3.341 -3.757) 5.057 5.410 ( 0.537 3.341 3.757) 5.057 5.440 ( 1.118 -2.597 -6.414) 7.010 5.440 ( -1.118 -2.597 6.414) 7.010 5.555 ( -2.708 -2.972 -3.361) 5.240 5.555 ( 2.708 -2.972 3.361) 5.240 5.793 ( 0.334 -0.447 -3.305) 3.352 5.793 ( -0.334 -0.447 3.305) 3.352 5.852 ( -1.971 -5.456 -5.297) 7.855 5.852 ( 1.971 -5.456 5.297) 7.855 6.158 ( 3.737 -3.413 -2.147) 5.498 6.158 ( -3.737 -3.413 2.147) 5.498 6.315 ( -3.815 -8.833 -1.514) 9.740 6.315 ( 3.815 -8.833 1.514) 9.740 6.563 ( -0.597 -7.272 -2.627) 7.755 6.563 ( 0.597 -7.272 2.627) 7.755 6.764 ( 3.124 26.629 -7.761) 27.912 6.764 ( -3.124 26.629 7.761) 27.912 7.214 ( -6.393 5.484 -3.627) 9.170 7.214 ( 6.393 5.484 3.627) 9.170 7.263 ( 0.569 0.693 -1.646) 1.874 7.263 ( -0.569 0.693 1.646) 1.874 7.708 ( 0.185 4.895 -0.164) 4.901 7.708 ( -0.185 4.895 0.164) 4.901 7.992 ( -1.000 1.848 0.097) 2.103 7.992 ( 1.000 1.848 -0.097) 2.103 8.439 ( -5.835 -3.373 -4.168) 7.924 8.439 ( 5.835 -3.373 4.168) 7.924 8.872 ( 0.935 -1.370 -0.967) 1.919 8.872 ( -0.935 -1.370 0.967) 1.919 8.964 ( -0.582 0.235 -0.828) 1.039 8.964 ( 0.582 0.235 0.828) 1.039 9.188 ( -0.021 -0.205 -2.912) 2.919 9.188 ( 0.021 -0.205 2.912) 2.919 9.308 ( 0.224 0.845 -3.246) 3.361 9.308 ( -0.224 0.845 3.246) 3.361 9.417 ( 3.532 -0.226 -3.971) 5.319 9.417 ( -3.532 -0.226 3.971) 5.319 9.561 ( 0.367 -2.198 -2.062) 3.036 9.561 ( -0.367 -2.198 2.062) 3.036 9.667 ( -1.331 -0.548 -0.927) 1.712 9.667 ( 1.331 -0.548 0.927) 1.712 9.779 ( 0.878 0.641 -2.960) 3.153 9.779 ( -0.878 0.641 2.960) 3.153 9.859 ( 3.123 -2.640 -1.583) 4.385 9.859 ( -3.123 -2.640 1.583) 4.385 9.891 ( -0.031 1.980 -1.634) 2.567 9.891 ( 0.031 1.980 1.634) 2.567 10.058 ( -0.658 -1.599 -1.367) 2.204 10.058 ( 0.658 -1.599 1.367) 2.204 10.146 ( -0.706 -1.728 -3.198) 3.703 10.146 ( 0.706 -1.728 3.198) 3.703 10.298 ( -4.795 4.418 -0.837) 6.573 10.298 ( 4.795 4.418 0.837) 6.573 10.713 ( 1.954 1.004 -1.184) 2.496 10.713 ( -1.954 1.004 1.184) 2.496 10.803 ( -0.227 -1.881 -3.498) 3.978 10.803 ( 0.227 -1.881 3.498) 3.978 11.069 ( -0.464 -3.530 -3.625) 5.081 11.069 ( 0.464 -3.530 3.625) 5.081 11.350 ( -4.347 12.175 0.705) 12.947 11.350 ( 4.347 12.175 -0.705) 12.947 12.191 ( 0.644 38.924 -10.462) 40.311 12.191 ( -0.644 38.924 10.462) 40.311 13.582 ( 1.602 1.878 -4.067) 4.757 13.582 ( -1.602 1.878 4.067) 4.757 14.379 ( -30.771 10.650 -4.602) 32.885 14.379 ( 30.771 10.650 4.602) 32.885 14.759 ( -16.836 0.656 1.867) 16.952 14.759 ( 16.836 0.656 -1.867) 16.952 15.766 ( -4.751 -2.230 -1.553) 5.473 15.766 ( 4.751 -2.230 1.553) 5.473 15.885 ( -5.917 -2.510 0.768) 6.473 15.885 ( 5.917 -2.510 -0.768) 6.473 16.643 ( -0.211 -3.174 -1.256) 3.420 16.643 ( 0.211 -3.174 1.256) 3.420 19.893 ( -1.378 -3.743 -9.051) 9.891 19.893 ( 1.378 -3.743 9.051) 9.891 20.038 ( -2.291 -2.978 -8.330) 9.138 20.038 ( 2.291 -2.978 8.330) 9.138 20.261 ( 2.584 -0.740 -7.824) 8.273 20.261 ( -2.584 -0.740 7.824) 8.273 20.420 ( 1.666 -2.209 -10.750) 11.100 20.420 ( -1.666 -2.209 10.750) 11.100 21.085 ( -0.099 4.761 -3.754) 6.063 21.085 ( 0.099 4.761 3.754) 6.063 21.431 ( -0.036 -2.984 -5.095) 5.905 21.431 ( 0.036 -2.984 5.095) 5.905 21.767 ( -1.050 -1.286 -2.951) 3.386 21.767 ( 1.050 -1.286 2.951) 3.386 21.901 ( -1.729 -1.452 -2.090) 3.077 21.901 ( 1.729 -1.452 2.090) 3.077 22.020 ( -0.581 -1.200 -1.696) 2.157 22.020 ( 0.581 -1.200 1.696) 2.157 22.161 ( 2.744 1.368 -3.591) 4.722 22.161 ( -2.744 1.368 3.591) 4.722 22.349 ( -2.945 -0.894 -3.438) 4.614 22.349 ( 2.945 -0.894 3.438) 4.614 22.657 ( 2.421 -10.754 -5.937) 12.520 22.657 ( -2.421 -10.754 5.937) 12.520 22.695 ( -1.759 -1.361 -2.652) 3.461 22.695 ( 1.759 -1.361 2.652) 3.461 22.786 ( -0.112 -1.132 -0.990) 1.508 22.786 ( 0.112 -1.132 0.990) 1.508 23.047 ( -0.142 2.367 -1.569) 2.843 23.047 ( 0.142 2.367 1.569) 2.843 23.055 ( -1.457 1.642 -1.759) 2.813 23.055 ( 1.457 1.642 1.759) 2.813 23.357 ( -1.324 -2.750 -0.588) 3.108 23.357 ( 1.324 -2.750 0.588) 3.108 23.503 ( -2.701 -7.097 -3.880) 8.527 23.503 ( 2.701 -7.097 3.880) 8.527 ======================= Grid point 78 (37/44) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 4.942 8.825 -10.453) 14.545 0.646 ( 3.210 8.778 -9.819) 13.556 0.802 ( -3.941 3.410 10.080) 11.348 0.829 ( 1.786 4.356 11.392) 12.326 0.939 ( -6.951 2.070 1.659) 7.441 1.028 ( 5.448 2.994 -10.501) 12.203 1.109 ( -8.085 3.533 0.359) 8.830 1.170 ( -1.156 1.640 -6.308) 6.619 1.251 ( -0.222 4.311 2.992) 5.252 1.259 ( -3.300 2.500 0.263) 4.149 1.314 ( 2.094 0.675 0.057) 2.201 1.332 ( 0.872 -0.990 0.476) 1.403 1.341 ( 0.180 0.805 0.881) 1.207 1.368 ( 0.825 -0.767 0.185) 1.142 1.380 ( 2.474 0.893 0.710) 2.724 1.398 ( 2.426 1.612 1.731) 3.388 1.430 ( 0.577 -1.276 -0.247) 1.422 1.463 ( -0.524 -0.902 -0.488) 1.152 1.481 ( -0.754 -0.448 1.384) 1.639 1.489 ( -0.135 -0.246 -0.524) 0.594 1.503 ( 1.194 0.054 -1.211) 1.702 1.520 ( -1.599 0.649 3.232) 3.664 1.545 ( -2.095 -0.423 -0.072) 2.139 1.559 ( 0.275 -1.206 -2.437) 2.733 1.590 ( -0.245 0.405 -0.062) 0.477 1.607 ( -0.433 -1.714 -1.712) 2.461 1.631 ( 2.160 0.646 0.696) 2.359 1.656 ( -2.381 1.269 0.284) 2.713 1.664 ( -2.306 0.065 -1.571) 2.791 1.675 ( 1.711 0.048 2.343) 2.902 1.733 ( 0.914 0.457 0.797) 1.296 1.749 ( 1.394 1.123 0.448) 1.846 1.850 ( 1.983 -0.652 8.702) 8.949 1.873 ( 0.738 -1.576 10.821) 10.960 1.891 ( 2.603 -5.208 4.822) 7.560 1.955 ( 1.086 2.051 1.215) 2.620 2.022 ( 0.534 -0.596 2.083) 2.232 2.053 ( 0.760 0.131 1.851) 2.005 2.088 ( 3.933 -3.249 -4.436) 6.760 2.140 ( 1.165 0.112 1.934) 2.260 2.202 ( -2.250 2.170 -0.522) 3.169 2.212 ( 2.378 -0.251 -0.902) 2.556 2.243 ( 5.898 0.729 -1.338) 6.092 2.305 ( 0.947 3.637 1.077) 3.909 2.332 ( -0.409 -0.028 2.075) 2.115 2.388 ( 2.907 0.521 2.370) 3.787 2.478 ( 6.008 1.153 -0.640) 6.151 2.501 ( 5.312 -4.343 -0.055) 6.862 2.606 ( 1.141 -1.661 -8.193) 8.437 2.625 ( -1.935 -2.364 -3.609) 4.728 2.656 ( 1.587 -1.714 1.429) 2.738 2.707 ( -1.005 -0.202 -0.420) 1.108 2.798 ( -0.551 1.075 0.794) 1.446 2.849 ( 0.913 3.521 4.873) 6.081 2.941 ( 1.617 3.810 0.782) 4.212 3.005 ( 8.214 2.236 1.664) 8.674 3.139 ( -0.448 -0.889 -3.668) 3.801 3.203 ( 1.159 1.080 -0.438) 1.644 3.340 ( 0.015 1.217 6.654) 6.764 3.387 ( -1.479 -1.677 -4.867) 5.356 3.434 ( 1.747 0.917 -2.778) 3.408 3.486 ( 1.069 2.221 -7.905) 8.281 3.522 ( -1.548 0.334 6.116) 6.318 3.570 ( 2.448 -1.503 4.006) 4.929 3.671 ( 0.448 -0.052 -2.050) 2.099 3.716 ( -0.072 -1.134 -1.988) 2.290 3.774 ( -0.547 2.853 -0.821) 3.018 3.849 ( 0.450 2.682 1.784) 3.252 3.946 ( -3.535 -4.853 -3.238) 6.821 3.979 ( -2.035 4.705 -1.591) 5.367 4.033 ( -2.024 1.854 -2.818) 3.933 4.080 ( -2.800 -0.952 -1.815) 3.470 4.139 ( -2.961 2.878 2.974) 5.089 4.169 ( -1.610 0.597 -0.932) 1.954 4.262 ( -1.164 4.348 0.902) 4.590 4.274 ( 1.769 -0.455 -2.810) 3.351 4.363 ( 2.478 -0.637 4.639) 5.298 4.428 ( 5.276 -0.786 1.055) 5.437 4.444 ( 5.082 9.926 -3.785) 11.776 4.508 ( 8.579 -4.164 0.288) 9.540 4.555 ( 0.339 3.995 5.845) 7.088 4.646 ( 2.907 2.138 3.305) 4.894 4.680 ( 7.928 1.688 -4.937) 9.491 4.769 ( -3.149 0.375 6.570) 7.296 4.835 ( -3.437 0.643 -2.856) 4.515 4.901 ( -0.781 3.211 -6.711) 7.481 5.014 ( -4.322 -4.231 1.241) 6.174 5.105 ( -0.670 -0.376 -3.681) 3.760 5.191 ( 0.481 -0.484 2.397) 2.492 5.245 ( -1.429 -4.823 -1.900) 5.377 5.317 ( 2.793 1.260 -0.461) 3.099 5.329 ( 4.055 1.360 5.134) 6.682 5.378 ( -0.283 0.877 1.158) 1.480 5.415 ( 0.420 -0.443 2.744) 2.811 5.430 ( -2.517 -0.069 -0.468) 2.561 5.469 ( -0.319 0.186 -0.485) 0.609 5.568 ( 5.691 1.893 -0.199) 6.001 5.638 ( 0.423 0.162 2.082) 2.131 5.750 ( -0.509 -0.169 -0.670) 0.858 5.786 ( 2.146 -4.466 -1.705) 5.240 5.869 ( 4.107 -1.270 0.479) 4.326 5.959 ( 6.017 -4.202 3.005) 7.931 6.123 ( -2.596 -3.888 1.051) 4.792 6.165 ( 0.341 -3.118 -3.290) 4.545 6.272 ( 0.096 -6.936 -0.222) 6.940 6.370 ( 0.547 -5.990 -0.413) 6.029 6.481 ( -5.685 -0.155 -1.622) 5.913 6.534 ( -5.792 1.391 0.567) 5.984 6.809 ( 7.376 6.461 -2.702) 10.171 6.892 ( 4.749 7.684 6.003) 10.846 7.148 ( 2.012 2.077 -1.334) 3.185 7.274 ( 0.957 0.324 0.881) 1.340 7.304 ( 7.661 2.066 -1.117) 8.013 7.433 ( 11.789 8.715 5.957) 15.824 7.717 ( 0.983 4.296 -0.801) 4.479 7.727 ( 2.320 4.556 1.045) 5.219 7.989 ( 1.257 0.929 -0.276) 1.587 8.030 ( 4.382 1.319 3.531) 5.780 8.298 ( -7.019 -1.741 -2.631) 7.695 8.547 ( 3.020 -5.649 2.272) 6.796 8.858 ( -1.599 -1.529 1.403) 2.619 8.889 ( 1.176 -0.828 -0.437) 1.503 8.936 ( -1.433 -0.353 -0.222) 1.492 8.976 ( 0.577 0.662 -1.043) 1.364 9.137 ( -1.191 -0.343 -4.138) 4.320 9.189 ( -2.207 1.202 0.815) 2.642 9.308 ( 1.072 -1.104 0.785) 1.728 9.346 ( 0.275 0.592 2.561) 2.643 9.372 ( -4.418 1.165 6.782) 8.177 9.471 ( 1.717 -1.789 -0.356) 2.505 9.559 ( 2.653 -0.988 0.317) 2.848 9.588 ( 1.054 -1.079 -1.910) 2.433 9.606 ( -4.226 0.179 -0.765) 4.298 9.662 ( -1.693 0.285 -1.327) 2.170 9.707 ( -5.272 -0.064 -2.384) 5.786 9.740 ( -3.147 -0.365 -0.776) 3.262 9.864 ( 0.456 1.635 1.089) 2.016 9.872 ( 0.395 -0.626 1.422) 1.603 9.913 ( 2.124 -1.426 0.357) 2.583 9.926 ( 1.189 1.230 0.148) 1.717 10.052 ( 1.725 -3.533 -0.174) 3.936 10.070 ( 0.108 -2.395 -0.081) 2.399 10.111 ( -0.953 -2.637 -1.960) 3.421 10.171 ( -1.058 0.820 0.441) 1.410 10.282 ( 3.088 3.464 1.935) 5.027 10.359 ( 1.955 3.696 -1.039) 4.309 10.680 ( -1.937 0.989 -0.787) 2.313 10.720 ( -0.063 0.137 -0.723) 0.739 10.791 ( 1.464 -1.514 -0.849) 2.271 10.850 ( 2.141 -2.131 2.030) 3.639 10.988 ( -3.510 -1.575 -4.100) 5.622 11.076 ( -2.977 -3.219 2.370) 4.984 11.456 ( 14.271 4.436 1.305) 15.002 11.521 ( 16.473 3.524 -0.697) 16.860 12.203 ( 10.394 34.060 -7.191) 36.329 12.465 ( 16.587 37.050 21.721) 46.039 13.396 ( -32.461 -1.099 3.256) 32.642 13.490 ( -8.364 -1.450 -1.580) 8.635 13.940 ( -16.163 26.755 8.121) 32.296 14.448 ( -16.149 10.794 3.307) 19.704 14.937 ( 24.990 0.026 1.605) 25.042 15.035 ( 18.130 -0.436 -1.886) 18.233 15.643 ( -6.852 -3.468 -0.226) 7.683 15.703 ( -7.512 -2.635 1.054) 8.031 15.970 ( 8.414 -0.706 1.500) 8.576 16.030 ( 10.541 -2.055 -1.613) 10.860 16.601 ( -3.185 -2.758 1.161) 4.371 16.663 ( 0.469 -3.331 -1.562) 3.709 19.715 ( -3.116 -1.877 -16.345) 16.745 19.805 ( -8.371 -3.988 -13.282) 16.198 19.952 ( 2.336 0.829 -9.150) 9.480 20.048 ( -6.001 3.608 -2.152) 7.326 20.284 ( 1.871 -5.765 8.028) 10.059 20.333 ( 1.528 -3.163 7.070) 7.894 20.399 ( -0.241 -2.224 4.322) 4.866 20.519 ( 0.633 -4.079 6.021) 7.300 21.024 ( -5.170 2.450 2.358) 6.188 21.119 ( 0.383 3.411 -2.234) 4.095 21.380 ( 0.009 -3.459 -2.817) 4.461 21.472 ( -1.299 -0.630 5.244) 5.439 21.675 ( -2.552 -1.486 -6.981) 7.580 21.706 ( -3.249 -1.226 -8.891) 9.545 21.888 ( -0.018 0.664 0.931) 1.143 21.932 ( 0.047 1.058 -0.255) 1.089 22.026 ( 1.266 -2.034 1.670) 2.921 22.079 ( 1.542 -1.746 5.914) 6.356 22.146 ( -3.108 0.939 3.411) 4.709 22.211 ( 3.859 1.695 0.226) 4.221 22.276 ( -1.884 -1.728 -3.320) 4.190 22.440 ( 3.358 -0.649 3.216) 4.695 22.522 ( -4.270 -5.870 -9.498) 11.954 22.655 ( -2.504 -7.136 4.701) 8.904 22.708 ( 1.100 -3.697 0.242) 3.865 22.756 ( 1.006 -2.396 3.046) 4.004 22.766 ( -0.098 -2.204 -2.064) 3.021 22.804 ( 0.911 -1.343 0.148) 1.630 23.011 ( -0.639 2.526 -1.861) 3.202 23.028 ( -1.118 1.352 -0.789) 1.924 23.054 ( -0.429 1.718 0.582) 1.864 23.109 ( 1.046 1.558 3.392) 3.876 23.283 ( -4.603 -4.049 -4.575) 7.650 23.344 ( -2.257 -0.964 -1.778) 3.031 23.412 ( 0.181 -2.714 -4.925) 5.627 23.529 ( -2.270 -5.898 1.453) 6.485 ======================= Grid point 79 (38/44) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 11.177 9.273 -3.533) 14.946 0.634 ( 0.154 3.603 -0.631) 3.661 0.703 ( 0.343 6.326 -1.738) 6.569 0.880 ( -13.968 5.138 2.317) 15.062 0.969 ( 1.791 2.372 6.673) 7.305 1.035 ( 1.670 1.460 2.871) 3.628 1.070 ( 0.480 1.332 4.502) 4.720 1.155 ( 11.042 1.271 -11.886) 16.273 1.200 ( -2.221 2.917 -3.540) 5.097 1.240 ( -4.238 5.535 2.728) 7.486 1.314 ( 1.257 1.077 -5.077) 5.340 1.318 ( -3.869 0.275 2.981) 4.892 1.343 ( -0.008 0.444 2.463) 2.503 1.378 ( -1.444 2.437 -1.810) 3.362 1.407 ( 2.070 -0.645 0.844) 2.326 1.417 ( 0.477 -0.611 1.914) 2.065 1.439 ( 0.354 -1.731 0.704) 1.902 1.468 ( -2.483 -0.846 -0.178) 2.630 1.483 ( 0.901 0.703 1.481) 1.870 1.491 ( 0.976 -0.449 -0.657) 1.260 1.506 ( -0.417 -0.810 -0.577) 1.078 1.517 ( 0.495 0.164 -0.414) 0.666 1.522 ( -0.680 -0.665 -0.956) 1.348 1.543 ( -1.485 0.677 -0.456) 1.695 1.589 ( 0.442 -0.749 -0.052) 0.872 1.608 ( -1.100 -0.270 -0.699) 1.331 1.626 ( 2.270 0.142 0.800) 2.411 1.654 ( -0.465 0.319 1.032) 1.176 1.669 ( 1.650 -0.427 1.039) 1.996 1.696 ( -0.907 0.832 0.195) 1.246 1.753 ( 1.256 2.462 0.085) 2.765 1.769 ( 0.468 1.826 -0.901) 2.089 1.933 ( -1.383 -0.439 5.625) 5.810 1.944 ( 1.344 -0.221 -2.396) 2.756 1.995 ( 0.680 -2.106 6.830) 7.179 2.033 ( 2.319 -3.377 7.838) 8.844 2.069 ( 1.361 -4.932 3.805) 6.376 2.086 ( 1.071 -3.262 0.356) 3.451 2.100 ( 0.163 0.050 3.183) 3.187 2.127 ( -0.119 -1.946 -5.064) 5.427 2.188 ( -0.637 1.171 -2.154) 2.533 2.202 ( -0.822 1.284 -3.419) 3.744 2.305 ( 4.117 0.106 0.888) 4.213 2.322 ( -0.743 0.480 2.423) 2.579 2.398 ( 2.683 2.432 4.227) 5.566 2.429 ( 3.169 -2.325 0.884) 4.029 2.486 ( 1.220 -1.152 -5.210) 5.474 2.516 ( -1.906 -5.582 -2.104) 6.263 2.541 ( -1.982 -1.023 -5.013) 5.487 2.566 ( -2.226 1.206 -0.625) 2.608 2.698 ( 1.600 -0.561 -0.946) 1.941 2.728 ( 0.651 1.197 1.717) 2.192 2.738 ( -0.945 -0.486 1.350) 1.718 2.823 ( -4.500 2.088 -0.897) 5.041 3.011 ( 3.744 0.879 -0.014) 3.846 3.066 ( -4.324 1.574 1.154) 4.744 3.201 ( 7.117 1.382 4.991) 8.802 3.252 ( 5.827 -0.790 -0.653) 5.916 3.308 ( -2.277 -1.757 -3.548) 4.568 3.370 ( -3.767 0.688 -5.680) 6.850 3.463 ( 3.608 0.823 -0.917) 3.813 3.492 ( 6.562 0.272 4.004) 7.692 3.534 ( -4.735 -1.884 2.065) 5.498 3.604 ( -3.365 -1.398 0.031) 3.644 3.685 ( 4.092 0.106 1.194) 4.264 3.708 ( 1.968 -2.960 0.067) 3.555 3.756 ( -2.547 0.353 2.652) 3.693 3.833 ( -3.151 -1.803 -5.214) 6.353 3.874 ( 3.087 2.922 -3.153) 5.293 3.949 ( -5.077 0.027 1.246) 5.228 3.974 ( -1.310 3.475 -0.482) 3.745 4.003 ( -2.239 0.907 -1.744) 2.980 4.136 ( 2.001 0.979 -0.695) 2.334 4.166 ( -1.689 1.406 1.960) 2.945 4.254 ( -2.212 3.536 2.719) 4.979 4.255 ( 2.439 2.455 -5.383) 6.400 4.459 ( 1.932 2.483 4.029) 5.112 4.482 ( 4.499 8.794 -4.159) 10.718 4.542 ( 6.177 0.253 2.604) 6.708 4.614 ( 2.243 -2.828 -1.182) 3.798 4.619 ( 3.659 0.117 2.403) 4.379 4.699 ( -3.809 0.644 3.867) 5.466 4.738 ( -2.598 -1.732 4.407) 5.401 4.754 ( 0.912 2.394 -5.866) 6.401 4.802 ( 2.821 1.391 -0.815) 3.249 4.830 ( 1.213 2.493 -3.196) 4.231 4.973 ( -2.605 -1.152 3.109) 4.216 5.032 ( -5.033 -0.715 -2.372) 5.610 5.200 ( -0.682 -3.520 -0.089) 3.587 5.207 ( -0.259 1.272 -0.248) 1.322 5.329 ( 0.315 1.249 -2.182) 2.534 5.339 ( -3.293 1.607 1.304) 3.889 5.405 ( 2.557 -0.247 1.126) 2.805 5.427 ( -1.551 -0.127 2.746) 3.156 5.465 ( 5.120 2.290 -1.753) 5.876 5.525 ( -0.394 2.674 2.834) 3.916 5.599 ( -0.169 4.197 0.453) 4.225 5.626 ( 1.004 3.750 -1.599) 4.198 5.781 ( 3.009 0.856 0.939) 3.266 5.815 ( 0.609 -1.564 -0.239) 1.696 5.932 ( 4.650 -1.848 -0.456) 5.025 6.015 ( -4.379 2.288 -0.340) 4.953 6.159 ( 2.781 -5.552 1.598) 6.411 6.173 ( 5.219 -2.953 0.948) 6.071 6.269 ( -0.453 -2.706 -0.339) 2.765 6.329 ( 1.227 -3.441 -2.000) 4.165 6.387 ( -6.604 1.556 -0.607) 6.812 6.414 ( -7.185 -1.328 -1.119) 7.392 6.887 ( 5.002 -2.502 -0.380) 5.606 6.947 ( -1.821 -3.706 0.708) 4.189 7.210 ( 3.610 -0.323 2.177) 4.228 7.268 ( -1.513 -1.221 -0.564) 2.024 7.469 ( 11.808 4.018 -2.627) 12.747 7.558 ( -1.220 5.801 1.870) 6.216 7.721 ( 0.701 3.497 -0.227) 3.574 7.745 ( -1.688 3.509 0.042) 3.895 8.027 ( 6.246 1.142 -3.351) 7.179 8.119 ( -8.594 -0.376 4.199) 9.572 8.340 ( 11.725 -6.947 10.573) 17.249 8.545 ( -3.315 -8.433 -4.203) 9.989 8.855 ( -0.787 -1.463 2.253) 2.799 8.879 ( -0.493 -1.045 -2.421) 2.682 8.939 ( 0.575 0.166 1.881) 1.974 8.964 ( 0.032 0.674 -2.099) 2.205 9.102 ( 1.850 0.922 -2.362) 3.139 9.144 ( -3.990 1.444 0.497) 4.272 9.334 ( 0.716 -0.630 2.429) 2.609 9.372 ( -0.982 0.186 0.102) 1.005 9.399 ( 1.047 0.048 4.764) 4.878 9.462 ( -2.347 -0.687 -1.006) 2.645 9.546 ( -1.334 -0.270 1.686) 2.167 9.569 ( -0.793 0.189 -2.741) 2.859 9.587 ( -0.346 -0.505 -1.791) 1.892 9.609 ( -2.782 0.582 -1.314) 3.131 9.647 ( 1.912 0.269 1.457) 2.419 9.698 ( -1.242 0.329 -2.270) 2.608 9.882 ( 0.672 0.964 0.530) 1.289 9.889 ( -0.194 0.514 0.741) 0.923 9.932 ( -0.593 0.500 1.696) 1.865 9.936 ( 1.081 0.025 -1.506) 1.854 10.060 ( 0.964 -2.593 -1.359) 3.082 10.072 ( -1.449 -3.392 0.677) 3.750 10.112 ( 1.976 -1.134 1.218) 2.583 10.151 ( -1.274 0.628 -0.912) 1.688 10.347 ( 1.712 1.399 1.460) 2.649 10.365 ( 1.133 1.547 -1.723) 2.578 10.664 ( 1.642 0.436 -1.284) 2.130 10.696 ( -2.543 -0.103 0.334) 2.567 10.821 ( 2.079 -1.714 1.125) 2.920 10.874 ( -1.504 -3.088 -2.371) 4.173 10.950 ( 3.536 -0.709 0.311) 3.620 11.026 ( -5.013 -2.454 0.752) 5.632 11.700 ( 13.113 -1.570 -0.576) 13.219 11.748 ( 7.534 -1.900 0.418) 7.781 12.364 ( 20.351 24.574 -6.759) 32.615 12.781 ( -36.035 -0.581 3.187) 36.180 13.021 ( 13.509 13.702 19.249) 27.217 13.311 ( -11.268 -4.849 -2.963) 12.620 14.001 ( -0.722 30.809 23.312) 38.641 14.235 ( -6.973 18.602 -10.509) 22.474 15.236 ( 10.941 -0.893 -0.189) 10.979 15.262 ( 7.958 -0.900 1.702) 8.188 15.570 ( -1.861 -4.075 1.259) 4.653 15.615 ( -5.100 -2.409 0.680) 5.681 16.102 ( 5.080 -0.326 2.690) 5.757 16.140 ( 4.791 -1.056 -2.880) 5.689 16.579 ( -1.677 -2.527 3.221) 4.424 16.621 ( -1.466 -3.113 -4.185) 5.418 19.521 ( -2.549 2.688 -9.915) 10.584 19.534 ( -5.026 2.733 -11.026) 12.422 19.906 ( 4.128 2.214 -8.658) 9.843 19.932 ( -6.570 3.313 2.586) 7.799 20.394 ( 0.899 -6.413 6.712) 9.326 20.415 ( 2.083 -5.789 0.760) 6.199 20.457 ( -1.187 -2.624 9.533) 9.959 20.529 ( -0.211 -4.435 -4.334) 6.204 20.986 ( -5.691 1.463 8.672) 10.476 21.036 ( 2.077 0.214 -13.653) 13.812 21.422 ( 3.513 -1.333 4.100) 5.561 21.497 ( -2.094 -3.031 3.318) 4.958 21.569 ( -2.711 2.513 -3.835) 5.327 21.586 ( -0.345 1.993 -7.414) 7.685 21.897 ( 0.661 1.734 0.137) 1.861 21.915 ( -1.237 1.938 -0.293) 2.318 22.073 ( 3.120 -0.978 -0.103) 3.271 22.117 ( -3.658 -0.170 1.961) 4.154 22.161 ( 1.150 -0.598 5.322) 5.478 22.217 ( -0.603 -0.118 -3.680) 3.731 22.278 ( 2.227 -0.502 2.032) 3.056 22.351 ( -2.758 -0.293 -6.306) 6.889 22.577 ( 4.429 -2.055 4.984) 6.977 22.662 ( -1.467 -5.102 -0.202) 5.313 22.707 ( -1.332 -1.664 2.450) 3.247 22.737 ( -0.045 -3.578 -3.593) 5.070 22.794 ( 0.836 -1.856 1.565) 2.568 22.811 ( -0.102 -1.689 -0.276) 1.714 22.996 ( 0.310 2.295 -0.668) 2.410 23.005 ( -0.895 1.808 -0.366) 2.051 23.058 ( 0.044 1.312 1.811) 2.237 23.102 ( -2.296 0.471 -2.497) 3.425 23.230 ( 1.380 -0.646 1.004) 1.824 23.281 ( -2.114 -0.281 -2.773) 3.498 23.417 ( 3.861 -2.600 -1.923) 5.037 23.479 ( -4.680 -3.972 0.497) 6.159 ======================= Grid point 82 (39/44) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -6.091 9.550 -7.027) 13.330 0.761 ( 6.091 9.550 7.027) 13.330 0.859 ( 6.237 8.701 -8.719) 13.807 0.859 ( -6.237 8.701 8.719) 13.807 1.145 ( -4.711 1.395 -2.436) 5.484 1.145 ( 4.711 1.395 2.436) 5.484 1.215 ( -2.793 1.365 -2.265) 3.846 1.215 ( 2.793 1.365 2.265) 3.846 1.312 ( -3.390 0.668 -0.622) 3.511 1.312 ( 3.390 0.668 0.622) 3.511 1.322 ( -0.559 -0.554 -0.404) 0.885 1.322 ( 0.559 -0.554 0.404) 0.885 1.347 ( -2.553 0.293 -0.087) 2.571 1.347 ( 2.553 0.293 0.087) 2.571 1.409 ( -0.470 4.803 -4.614) 6.677 1.409 ( 0.470 4.803 4.614) 6.677 1.432 ( -0.697 -0.854 -0.763) 1.341 1.432 ( 0.697 -0.854 0.763) 1.341 1.450 ( -2.087 -0.144 -2.531) 3.284 1.450 ( 2.087 -0.144 2.531) 3.284 1.522 ( 0.960 0.611 -1.096) 1.580 1.522 ( -0.960 0.611 1.096) 1.580 1.548 ( -1.433 -1.712 0.082) 2.234 1.548 ( 1.433 -1.712 -0.082) 2.234 1.563 ( -0.006 -1.154 -2.408) 2.670 1.563 ( 0.006 -1.154 2.408) 2.670 1.627 ( 3.325 0.616 -4.724) 5.810 1.627 ( -3.325 0.616 4.724) 5.810 1.647 ( -0.755 -2.982 -2.210) 3.787 1.647 ( 0.755 -2.982 2.210) 3.787 1.735 ( -0.355 -1.419 -1.958) 2.444 1.735 ( 0.355 -1.419 1.958) 2.444 1.865 ( 3.694 3.626 -3.126) 6.046 1.865 ( -3.694 3.626 3.126) 6.046 1.958 ( 1.869 8.384 -0.957) 8.643 1.958 ( -1.869 8.384 0.957) 8.643 2.056 ( -2.349 -0.264 -1.057) 2.590 2.056 ( 2.349 -0.264 1.057) 2.590 2.085 ( -0.628 2.237 -0.659) 2.415 2.085 ( 0.628 2.237 0.659) 2.415 2.200 ( 5.679 3.451 -4.730) 8.157 2.200 ( -5.679 3.451 4.730) 8.157 2.278 ( 0.345 -0.070 -2.417) 2.442 2.278 ( -0.345 -0.070 2.417) 2.442 2.349 ( -0.171 0.882 -2.225) 2.400 2.349 ( 0.171 0.882 2.225) 2.400 2.486 ( -3.604 2.907 -1.276) 4.802 2.486 ( 3.604 2.907 1.276) 4.802 2.559 ( -1.823 -1.970 -4.416) 5.168 2.559 ( 1.823 -1.970 4.416) 5.168 2.711 ( -3.260 -0.740 -1.548) 3.684 2.711 ( 3.260 -0.740 1.548) 3.684 2.824 ( -4.809 1.416 -2.959) 5.821 2.824 ( 4.809 1.416 2.959) 5.821 2.967 ( -0.208 -1.695 -1.420) 2.221 2.967 ( 0.208 -1.695 1.420) 2.221 3.186 ( 1.811 1.244 -4.814) 5.291 3.186 ( -1.811 1.244 4.814) 5.291 3.364 ( 5.990 -1.653 -4.284) 7.547 3.364 ( -5.990 -1.653 4.284) 7.547 3.462 ( -1.768 0.276 -1.616) 2.411 3.462 ( 1.768 0.276 1.616) 2.411 3.536 ( 1.428 1.603 -2.028) 2.953 3.536 ( -1.428 1.603 2.028) 2.953 3.751 ( -0.428 2.525 -1.959) 3.224 3.751 ( 0.428 2.525 1.959) 3.224 3.834 ( 2.464 0.170 -3.737) 4.480 3.834 ( -2.464 0.170 3.737) 4.480 3.967 ( -3.963 -1.369 -3.399) 5.398 3.967 ( 3.963 -1.369 3.399) 5.398 4.119 ( 2.657 -1.904 -2.685) 4.230 4.119 ( -2.657 -1.904 2.685) 4.230 4.214 ( -2.732 -0.103 -2.325) 3.589 4.214 ( 2.732 -0.103 2.325) 3.589 4.253 ( -4.293 2.137 -0.095) 4.797 4.253 ( 4.293 2.137 0.095) 4.797 4.366 ( -0.872 2.869 -1.817) 3.507 4.366 ( 0.872 2.869 1.817) 3.507 4.463 ( -3.097 1.893 -5.295) 6.419 4.463 ( 3.097 1.893 5.295) 6.419 4.654 ( 1.471 2.351 -2.111) 3.485 4.654 ( -1.471 2.351 2.111) 3.485 4.710 ( -1.029 2.402 -6.712) 7.203 4.710 ( 1.029 2.402 6.712) 7.203 4.883 ( 1.850 -2.392 -1.261) 3.276 4.883 ( -1.850 -2.392 1.261) 3.276 5.034 ( -0.537 -5.666 -4.980) 7.563 5.034 ( 0.537 -5.666 4.980) 7.563 5.160 ( -0.342 -4.134 -5.730) 7.074 5.160 ( 0.342 -4.134 5.730) 7.074 5.292 ( -0.708 1.745 -4.544) 4.919 5.292 ( 0.708 1.745 4.544) 4.919 5.383 ( 0.741 -0.696 -1.871) 2.130 5.383 ( -0.741 -0.696 1.871) 2.130 5.456 ( -1.346 -3.444 -2.269) 4.338 5.456 ( 1.346 -3.444 2.269) 4.338 5.547 ( -3.047 5.290 -0.241) 6.109 5.547 ( 3.047 5.290 0.241) 6.109 5.682 ( -1.077 -7.285 -3.307) 8.072 5.682 ( 1.077 -7.285 3.307) 8.072 5.812 ( -0.667 -1.572 -2.482) 3.012 5.812 ( 0.667 -1.572 2.482) 3.012 6.042 ( -3.001 -6.932 -1.597) 7.721 6.042 ( 3.001 -6.932 1.597) 7.721 6.137 ( -4.173 -7.632 0.464) 8.711 6.137 ( 4.173 -7.632 -0.464) 8.711 6.392 ( -1.848 -9.649 -3.716) 10.503 6.392 ( 1.848 -9.649 3.716) 10.503 7.123 ( -0.642 9.686 -0.807) 9.741 7.123 ( 0.642 9.686 0.807) 9.741 7.270 ( -1.329 2.080 -3.920) 4.632 7.270 ( 1.329 2.080 3.920) 4.632 7.456 ( -3.156 15.099 -4.510) 16.071 7.456 ( 3.156 15.099 4.510) 16.071 7.798 ( 0.246 3.086 -0.659) 3.165 7.798 ( -0.246 3.086 0.659) 3.165 8.055 ( -1.412 4.804 -1.124) 5.131 8.055 ( 1.412 4.804 1.124) 5.131 8.363 ( -3.685 -4.117 -2.941) 6.259 8.363 ( 3.685 -4.117 2.941) 6.259 8.860 ( 1.311 0.375 -0.715) 1.540 8.860 ( -1.311 0.375 0.715) 1.540 8.959 ( -1.194 -0.665 -0.934) 1.656 8.959 ( 1.194 -0.665 0.934) 1.656 9.189 ( -0.393 0.325 -3.650) 3.685 9.189 ( 0.393 0.325 3.650) 3.685 9.325 ( -1.355 0.565 -3.059) 3.393 9.325 ( 1.355 0.565 3.059) 3.393 9.409 ( 3.882 -0.548 -3.942) 5.560 9.409 ( -3.882 -0.548 3.942) 5.560 9.516 ( -0.364 -2.236 -1.936) 2.980 9.516 ( 0.364 -2.236 1.936) 2.980 9.656 ( -1.252 -0.595 -0.810) 1.605 9.656 ( 1.252 -0.595 0.810) 1.605 9.774 ( -0.558 -4.702 -2.349) 5.286 9.774 ( 0.558 -4.702 2.349) 5.286 9.814 ( -1.973 1.911 -2.912) 4.003 9.814 ( 1.973 1.911 2.912) 4.003 9.927 ( -0.134 1.448 -1.037) 1.786 9.927 ( 0.134 1.448 1.037) 1.786 10.037 ( -1.163 -0.421 -1.064) 1.632 10.037 ( 1.163 -0.421 1.064) 1.632 10.113 ( -0.043 -1.641 -3.474) 3.843 10.113 ( 0.043 -1.641 3.474) 3.843 10.389 ( -1.157 4.892 -0.790) 5.088 10.389 ( 1.157 4.892 0.790) 5.088 10.731 ( -2.333 0.000 0.100) 2.335 10.731 ( 2.333 0.000 -0.100) 2.335 10.747 ( 0.866 -3.150 -2.501) 4.115 10.747 ( -0.866 -3.150 2.501) 4.115 11.004 ( -0.415 -2.761 -2.599) 3.814 11.004 ( 0.415 -2.761 2.599) 3.814 11.687 ( 0.715 21.717 -0.566) 21.736 11.687 ( -0.715 21.717 0.566) 21.736 12.839 ( -0.920 13.489 -4.871) 14.371 12.839 ( 0.920 13.489 4.871) 14.371 13.663 ( 4.004 15.568 -12.087) 20.112 13.663 ( -4.004 15.568 12.087) 20.112 14.586 ( -17.279 4.256 1.772) 17.884 14.586 ( 17.279 4.256 -1.772) 17.884 14.896 ( -1.970 15.803 -1.059) 15.960 14.896 ( 1.970 15.803 1.059) 15.960 15.672 ( -2.687 -7.990 -1.999) 8.663 15.672 ( 2.687 -7.990 1.999) 8.663 15.851 ( 0.977 0.792 -1.632) 2.061 15.851 ( -0.977 0.792 1.632) 2.061 16.534 ( 1.740 -8.272 -2.246) 8.747 16.534 ( -1.740 -8.272 2.246) 8.747 19.817 ( -0.410 -3.202 -7.546) 8.207 19.817 ( 0.410 -3.202 7.546) 8.207 19.951 ( -3.363 -5.508 -5.783) 8.665 19.951 ( 3.363 -5.508 5.783) 8.665 20.261 ( 4.287 0.652 -9.655) 10.584 20.261 ( -4.287 0.652 9.655) 10.584 20.375 ( 4.047 -2.060 -9.751) 10.756 20.375 ( -4.047 -2.060 9.751) 10.756 21.186 ( -2.047 4.878 -4.645) 7.040 21.186 ( 2.047 4.878 4.645) 7.040 21.375 ( -0.151 -2.103 -8.303) 8.567 21.375 ( 0.151 -2.103 8.303) 8.567 21.744 ( -1.341 -1.089 -3.762) 4.140 21.744 ( 1.341 -1.089 3.762) 4.140 21.845 ( -1.769 -4.021 -3.926) 5.891 21.845 ( 1.769 -4.021 3.926) 5.891 22.031 ( 1.412 2.555 -4.427) 5.304 22.031 ( -1.412 2.555 4.427) 5.304 22.174 ( 0.773 -0.015 -3.031) 3.128 22.174 ( -0.773 -0.015 3.031) 3.128 22.331 ( -0.739 -0.962 -4.570) 4.728 22.331 ( 0.739 -0.962 4.570) 4.728 22.472 ( 2.147 -7.007 -7.261) 10.316 22.472 ( -2.147 -7.007 7.261) 10.316 22.654 ( -1.243 -2.570 -1.797) 3.373 22.654 ( 1.243 -2.570 1.797) 3.373 22.771 ( -1.745 -0.380 0.208) 1.798 22.771 ( 1.745 -0.380 -0.208) 1.798 23.079 ( -1.225 1.552 -0.175) 1.985 23.079 ( 1.225 1.552 0.175) 1.985 23.097 ( -0.515 1.931 -2.617) 3.293 23.097 ( 0.515 1.931 2.617) 3.293 23.287 ( -2.333 -3.590 -1.524) 4.544 23.287 ( 2.333 -3.590 1.524) 4.544 23.405 ( -0.651 -3.189 -2.663) 4.206 23.405 ( 0.651 -3.189 2.663) 4.206 ======================= Grid point 84 (40/44) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.389 13.872 1.447) 13.952 0.849 ( 2.736 9.989 -3.712) 11.002 0.890 ( -2.085 7.119 5.108) 9.007 0.933 ( 2.973 6.194 4.979) 8.484 1.039 ( -3.803 6.062 2.465) 7.569 1.118 ( -1.879 5.431 -2.657) 6.332 1.189 ( -4.963 4.027 2.627) 6.910 1.211 ( -4.207 2.779 -3.104) 5.921 1.271 ( -0.014 -0.615 0.316) 0.691 1.286 ( -1.896 -2.768 1.843) 3.828 1.324 ( -0.524 1.798 -1.151) 2.198 1.349 ( -1.318 -0.682 -0.482) 1.560 1.363 ( 2.456 1.047 -1.437) 3.032 1.369 ( 2.484 -0.910 0.661) 2.727 1.385 ( 1.088 -0.143 0.034) 1.098 1.406 ( 0.174 0.955 -0.925) 1.341 1.423 ( 2.066 1.885 0.403) 2.825 1.463 ( 1.694 -1.512 -0.372) 2.301 1.468 ( 0.958 0.831 -0.846) 1.524 1.492 ( -0.300 0.116 1.433) 1.469 1.513 ( -0.051 -0.165 0.905) 0.921 1.525 ( -0.730 -0.956 -0.486) 1.297 1.545 ( 1.258 -2.150 1.374) 2.845 1.551 ( -1.641 -0.434 1.676) 2.385 1.566 ( 2.064 0.920 -1.342) 2.629 1.593 ( 1.106 -0.067 0.162) 1.120 1.633 ( 0.766 -0.447 -1.608) 1.836 1.642 ( 1.418 -0.904 -0.134) 1.687 1.678 ( 2.126 0.633 4.268) 4.810 1.701 ( 0.842 2.589 4.981) 5.676 1.758 ( 3.506 0.085 1.478) 3.806 1.788 ( 1.281 1.791 4.442) 4.958 1.795 ( -6.008 -0.510 6.547) 8.901 1.873 ( 1.387 2.712 2.438) 3.902 1.914 ( -2.858 5.096 0.659) 5.880 1.964 ( -1.949 -0.534 0.579) 2.102 2.020 ( 2.087 0.527 -3.846) 4.408 2.055 ( 1.485 2.601 -7.357) 7.944 2.088 ( 0.759 1.916 -0.448) 2.109 2.139 ( 1.806 -0.171 2.493) 3.084 2.222 ( 0.923 2.168 -0.042) 2.357 2.244 ( 3.822 0.387 -1.626) 4.171 2.276 ( 2.771 3.211 -0.912) 4.338 2.324 ( -2.928 -1.741 -1.439) 3.698 2.339 ( 2.897 -1.302 -1.196) 3.394 2.397 ( 3.870 -0.520 0.480) 3.935 2.470 ( 1.594 4.775 1.576) 5.276 2.489 ( -1.327 -1.394 -2.960) 3.531 2.551 ( 3.968 0.265 -1.509) 4.254 2.591 ( -3.234 -2.191 -6.280) 7.396 2.661 ( 3.255 1.861 3.928) 5.430 2.698 ( 0.346 -1.008 -4.020) 4.159 2.834 ( 0.493 2.413 3.365) 4.170 2.921 ( -2.256 0.980 0.857) 2.605 2.974 ( 0.335 0.053 3.770) 3.785 2.997 ( 6.477 -2.524 2.693) 7.455 3.158 ( 0.658 3.446 -1.842) 3.962 3.201 ( -0.820 -0.832 1.836) 2.177 3.325 ( -2.477 -2.740 2.326) 4.365 3.380 ( -1.348 0.486 0.055) 1.434 3.434 ( -0.669 -0.960 -0.525) 1.283 3.513 ( 3.254 0.291 1.191) 3.478 3.539 ( -1.379 0.990 4.972) 5.254 3.568 ( 2.458 0.949 -2.242) 3.460 3.683 ( -2.236 1.116 -3.919) 4.648 3.719 ( -0.656 2.655 -5.527) 6.167 3.844 ( 1.352 -0.024 -2.337) 2.700 3.860 ( -5.416 2.172 -1.483) 6.020 3.880 ( 1.447 -0.657 4.735) 4.995 4.021 ( -5.977 -0.695 -0.986) 6.098 4.031 ( -0.926 -3.318 1.353) 3.701 4.091 ( -3.609 1.285 -1.829) 4.246 4.127 ( -2.072 -2.130 2.856) 4.121 4.213 ( -1.415 3.165 -2.861) 4.495 4.271 ( 1.865 -1.327 -1.624) 2.806 4.334 ( -2.673 1.234 -0.989) 3.106 4.358 ( 4.998 1.625 -0.608) 5.290 4.420 ( 4.293 0.694 2.484) 5.008 4.466 ( 6.536 0.117 0.709) 6.576 4.578 ( 3.295 0.468 4.686) 5.747 4.624 ( 1.821 2.024 -6.119) 6.697 4.681 ( 0.186 4.242 5.210) 6.721 4.701 ( 4.325 1.870 -3.790) 6.047 4.811 ( 4.608 3.332 2.007) 6.031 4.855 ( -0.500 1.674 0.900) 1.965 4.920 ( 0.457 -3.402 1.721) 3.840 4.988 ( -3.756 1.196 -2.817) 4.845 5.084 ( 0.763 -2.711 -6.220) 6.828 5.142 ( 3.419 -4.749 4.087) 7.138 5.169 ( 0.092 0.073 -3.978) 3.979 5.273 ( 2.690 -3.419 0.703) 4.407 5.344 ( 3.484 -1.539 1.201) 3.994 5.384 ( 0.478 -0.952 0.440) 1.153 5.414 ( 0.029 -0.632 1.408) 1.544 5.465 ( 0.465 2.076 -1.400) 2.547 5.502 ( 5.779 4.559 1.479) 7.508 5.586 ( 4.388 -3.966 2.795) 6.541 5.616 ( 3.313 0.661 3.931) 5.183 5.697 ( 4.638 -4.213 -1.443) 6.430 5.741 ( 1.951 -2.550 1.077) 3.387 5.805 ( 4.333 -3.092 -2.713) 5.975 5.878 ( 6.559 -3.562 1.053) 7.537 5.981 ( -1.288 -8.402 -2.017) 8.736 6.064 ( -0.207 -4.906 -1.136) 5.040 6.126 ( 1.531 -7.384 1.919) 7.782 6.209 ( 4.509 -8.561 -1.852) 9.851 6.345 ( 0.604 -10.201 -2.428) 10.503 6.434 ( -0.515 -8.216 1.537) 8.374 7.018 ( -8.575 8.584 1.712) 12.254 7.078 ( -8.982 9.418 -2.372) 13.229 7.206 ( -1.309 3.434 0.015) 3.675 7.280 ( -2.558 0.560 1.776) 3.164 7.457 ( 7.476 12.242 -0.983) 14.378 7.636 ( 8.788 10.528 2.765) 13.989 7.801 ( 0.842 3.274 -0.917) 3.503 7.821 ( 1.915 4.147 1.579) 4.833 8.019 ( -0.764 2.688 0.354) 2.816 8.088 ( 1.315 4.514 0.960) 4.799 8.259 ( -6.003 -2.149 -1.561) 6.564 8.417 ( -0.572 -6.961 1.873) 7.231 8.838 ( -2.103 -0.244 1.664) 2.693 8.883 ( 1.468 0.355 -1.084) 1.859 8.927 ( -1.192 -0.322 0.004) 1.235 8.979 ( 0.536 -0.511 -0.320) 0.807 9.143 ( -0.802 0.787 -2.740) 2.962 9.221 ( -1.246 2.014 1.818) 2.986 9.283 ( -0.135 -1.639 -0.816) 1.835 9.357 ( -0.050 0.477 1.049) 1.154 9.398 ( -2.576 1.205 6.223) 6.842 9.434 ( 2.134 -1.612 -2.191) 3.457 9.520 ( 1.742 -2.398 -0.335) 2.983 9.561 ( 2.474 -1.787 1.025) 3.220 9.619 ( -1.648 0.421 -0.748) 1.858 9.659 ( -1.949 -0.969 -0.340) 2.203 9.696 ( -4.221 -1.594 -2.658) 5.236 9.737 ( -2.970 0.084 -1.423) 3.294 9.825 ( 3.156 -2.761 -1.320) 4.396 9.877 ( 2.738 0.015 1.175) 2.980 9.910 ( -1.220 0.688 1.236) 1.867 9.953 ( 0.742 0.720 0.886) 1.361 9.997 ( -1.224 -0.914 -1.289) 1.999 10.035 ( -0.969 -0.918 -0.608) 1.467 10.083 ( -0.673 -0.894 0.072) 1.121 10.155 ( 0.568 -1.927 0.669) 2.118 10.369 ( -0.214 4.946 1.841) 5.282 10.429 ( 1.945 3.767 -1.342) 4.447 10.685 ( -1.045 -1.161 -2.617) 3.048 10.721 ( -2.099 -0.718 0.633) 2.307 10.760 ( 1.087 -1.036 0.317) 1.535 10.784 ( 2.206 -3.827 0.400) 4.435 10.959 ( -1.625 -0.876 -2.000) 2.722 11.016 ( -1.627 -2.806 1.557) 3.598 11.695 ( 2.480 18.238 0.646) 18.417 11.726 ( 4.704 16.234 -0.506) 16.909 12.735 ( -7.622 7.566 -2.925) 11.131 12.814 ( -11.336 -3.760 2.372) 12.176 13.584 ( 0.906 20.852 -7.662) 22.233 13.670 ( -9.801 28.835 12.640) 32.974 14.411 ( -8.656 16.793 10.550) 21.638 14.638 ( -4.238 3.690 -2.921) 6.333 15.045 ( 16.951 9.543 2.688) 19.637 15.078 ( 12.563 9.508 2.014) 15.884 15.551 ( -7.067 -5.963 -1.316) 9.340 15.616 ( -7.168 -5.851 2.278) 9.529 15.957 ( 9.175 -0.406 1.860) 9.370 15.977 ( 10.453 -1.907 -1.665) 10.755 16.506 ( -2.583 -7.261 1.697) 7.891 16.548 ( 0.701 -8.688 -1.902) 8.921 19.701 ( -1.901 1.006 -8.797) 9.056 19.752 ( -4.406 -0.692 -7.985) 9.146 19.944 ( 1.078 -2.334 0.661) 2.654 20.081 ( 3.163 -4.365 5.278) 7.544 20.161 ( -5.396 -2.116 -2.258) 6.220 20.264 ( 2.750 -2.912 -5.251) 6.605 20.365 ( -2.748 -1.140 7.779) 8.328 20.439 ( 1.714 -3.620 1.138) 4.163 21.091 ( -4.380 4.118 -1.710) 6.250 21.174 ( -1.391 2.225 -9.764) 10.110 21.335 ( 2.002 -1.444 -0.634) 2.548 21.428 ( -0.719 -3.791 1.488) 4.135 21.667 ( -1.269 1.047 -3.329) 3.714 21.702 ( -1.432 1.382 -4.639) 5.048 21.885 ( 1.695 -1.899 5.119) 5.717 21.939 ( 2.543 -2.172 4.536) 5.636 22.008 ( -1.241 1.944 -0.826) 2.449 22.048 ( 0.058 -0.062 2.567) 2.568 22.178 ( 0.110 1.164 2.130) 2.430 22.192 ( -1.530 -0.737 3.425) 3.823 22.289 ( 1.672 0.870 -4.968) 5.313 22.394 ( 2.278 -5.385 -1.670) 6.081 22.431 ( 1.186 -1.218 -1.114) 2.032 22.514 ( -1.814 -6.159 7.081) 9.559 22.645 ( 0.468 -2.562 1.487) 2.999 22.701 ( 1.331 -3.202 2.766) 4.436 22.737 ( -1.483 -0.574 -1.475) 2.169 22.787 ( 0.725 -0.725 -0.885) 1.355 23.055 ( -1.241 1.960 -0.311) 2.341 23.063 ( -0.859 2.070 -1.491) 2.692 23.093 ( 0.447 1.764 -0.418) 1.867 23.130 ( -0.351 0.400 1.922) 1.994 23.223 ( -1.773 -1.724 -2.575) 3.570 23.315 ( 0.402 -2.202 -0.723) 2.353 23.356 ( -0.390 -2.668 -4.159) 4.957 23.420 ( -0.772 -4.544 0.284) 4.618 ======================= Grid point 85 (41/44) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.795 10.758 9.136) 14.136 0.816 ( 0.522 12.977 -8.431) 15.484 0.894 ( 5.212 11.815 0.704) 12.933 1.024 ( -7.376 7.582 0.288) 10.581 1.034 ( 1.404 5.165 4.985) 7.314 1.084 ( 0.783 3.649 4.554) 5.888 1.130 ( -3.656 4.247 2.197) 6.019 1.187 ( 1.610 2.574 -3.159) 4.381 1.242 ( -0.650 -0.347 -1.285) 1.481 1.270 ( -0.746 0.056 -1.315) 1.513 1.319 ( 0.354 -1.883 2.297) 2.991 1.352 ( -0.124 -1.907 -2.713) 3.319 1.382 ( 1.504 -0.185 1.669) 2.255 1.391 ( 0.293 -1.915 1.190) 2.274 1.402 ( 1.096 2.338 -2.012) 3.273 1.419 ( 3.360 4.101 -2.553) 5.884 1.436 ( 0.736 0.298 0.973) 1.256 1.463 ( 1.464 -1.122 -2.175) 2.852 1.483 ( -1.468 -0.439 -0.744) 1.703 1.487 ( -2.145 1.015 -0.636) 2.457 1.502 ( -0.547 -0.601 0.665) 1.050 1.518 ( 0.443 0.124 1.091) 1.184 1.540 ( -0.546 0.924 0.764) 1.317 1.571 ( -0.035 -0.762 -0.349) 0.839 1.574 ( -0.809 1.945 0.437) 2.151 1.601 ( -2.073 0.388 -0.530) 2.175 1.639 ( 3.028 1.252 1.109) 3.459 1.669 ( 0.802 1.481 -0.282) 1.708 1.714 ( 0.844 5.897 3.071) 6.703 1.758 ( 1.101 6.246 0.670) 6.377 1.799 ( -0.521 1.839 3.720) 4.182 1.812 ( 1.652 3.010 -2.928) 4.512 1.875 ( 3.005 -2.311 2.546) 4.566 1.914 ( -3.243 -2.788 3.605) 5.593 1.958 ( 0.581 -4.769 4.628) 6.670 1.966 ( 1.342 -2.824 8.183) 8.760 2.011 ( 1.892 0.905 -3.531) 4.107 2.027 ( -0.629 -2.507 -0.966) 2.759 2.078 ( 3.627 0.356 -2.057) 4.185 2.161 ( -4.517 3.277 -1.682) 5.828 2.179 ( 0.381 -2.412 -3.964) 4.655 2.220 ( -2.668 -1.157 -5.167) 5.929 2.289 ( 4.847 -1.042 -0.056) 4.958 2.342 ( -0.424 0.514 0.392) 0.773 2.357 ( 1.539 -2.214 1.238) 2.967 2.411 ( 1.051 0.498 -5.710) 5.827 2.447 ( -0.758 0.162 0.330) 0.843 2.473 ( -2.583 -1.198 -3.740) 4.701 2.541 ( 2.438 2.198 3.820) 5.037 2.598 ( 1.383 0.957 -1.978) 2.596 2.694 ( 2.519 1.155 -0.711) 2.861 2.770 ( -2.725 1.930 2.256) 4.030 2.779 ( 1.510 3.882 2.092) 4.661 2.888 ( -3.497 2.949 -1.309) 4.758 3.026 ( 3.640 -0.259 0.777) 3.731 3.078 ( -2.504 -0.796 1.689) 3.124 3.220 ( 7.524 0.370 2.285) 7.872 3.231 ( 0.088 -0.646 5.168) 5.209 3.281 ( -1.080 -0.821 -1.858) 2.301 3.374 ( -4.630 -0.652 -2.550) 5.326 3.440 ( 1.673 -2.311 4.578) 5.394 3.505 ( -2.342 1.208 -4.752) 5.434 3.537 ( -0.165 1.441 1.587) 2.150 3.602 ( -2.861 -1.914 -3.186) 4.690 3.647 ( 6.177 -0.445 2.075) 6.531 3.708 ( 1.357 2.251 -0.819) 2.753 3.776 ( -3.595 1.990 2.843) 4.997 3.823 ( -0.950 1.484 -4.583) 4.910 3.926 ( 1.566 1.645 -1.514) 2.730 3.941 ( -3.951 -0.660 1.054) 4.142 3.993 ( -2.085 -1.995 1.928) 3.471 4.025 ( -1.590 0.802 -2.742) 3.269 4.160 ( 0.837 0.798 1.209) 1.673 4.174 ( -0.657 0.215 -0.370) 0.784 4.275 ( 2.997 -2.081 -3.831) 5.291 4.291 ( -3.091 -0.422 2.366) 3.915 4.454 ( 5.130 -1.058 3.385) 6.236 4.516 ( 3.045 -1.706 2.256) 4.156 4.551 ( 2.458 -2.599 -1.565) 3.905 4.574 ( -1.100 -0.489 -4.586) 4.742 4.633 ( 2.136 0.137 0.485) 2.195 4.691 ( -1.965 0.275 -0.540) 2.057 4.773 ( 2.331 6.078 4.319) 7.812 4.855 ( -1.133 6.394 -4.911) 8.142 4.874 ( 0.210 3.515 1.453) 3.810 4.900 ( 1.210 3.854 1.460) 4.295 4.948 ( 0.895 -0.444 0.073) 1.002 5.012 ( -4.735 0.174 -2.307) 5.270 5.144 ( 3.930 -2.222 -2.102) 4.980 5.195 ( -2.836 -2.841 2.121) 4.540 5.335 ( 3.538 0.039 -0.351) 3.556 5.375 ( -2.040 1.336 2.256) 3.322 5.390 ( -0.951 -0.251 2.798) 2.966 5.424 ( 1.301 0.356 -3.493) 3.745 5.513 ( 5.962 1.033 0.461) 6.069 5.577 ( -0.679 0.567 0.989) 1.327 5.646 ( 1.914 0.813 1.295) 2.450 5.684 ( 0.103 0.712 -2.927) 3.014 5.746 ( 2.920 -1.367 2.519) 4.092 5.764 ( -0.389 -4.110 1.714) 4.470 5.897 ( 8.865 -3.778 -2.913) 10.067 5.952 ( 1.361 -6.628 1.034) 6.845 6.050 ( 2.443 -4.200 0.666) 4.904 6.091 ( 4.422 -4.825 -0.675) 6.580 6.196 ( 6.978 -5.911 -0.466) 9.157 6.221 ( 4.940 -6.136 -2.000) 8.127 6.325 ( -3.384 -6.422 -0.285) 7.265 6.388 ( -7.924 -4.445 0.256) 9.089 6.918 ( -3.032 5.649 -0.711) 6.451 6.937 ( -5.713 4.120 0.548) 7.064 7.203 ( 0.230 -0.109 1.546) 1.567 7.241 ( -2.948 -1.414 -0.090) 3.271 7.607 ( 10.330 9.101 -0.442) 13.775 7.710 ( -0.828 8.727 -0.677) 8.792 7.804 ( 0.753 4.582 -0.462) 4.666 7.831 ( -2.791 4.697 0.779) 5.519 8.063 ( 4.857 2.011 -2.112) 5.666 8.120 ( -4.976 0.745 4.171) 6.535 8.215 ( 6.257 -5.056 2.558) 8.441 8.366 ( -6.292 -8.724 -1.413) 10.849 8.834 ( -0.896 -0.541 2.689) 2.885 8.862 ( -0.541 -0.629 -2.956) 3.070 8.945 ( 0.866 0.381 1.977) 2.192 8.971 ( -0.077 -0.098 -1.720) 1.724 9.130 ( 2.084 1.878 -1.028) 2.988 9.179 ( -3.968 2.206 0.184) 4.544 9.315 ( 2.690 -1.451 1.477) 3.394 9.366 ( -0.614 -0.554 -0.618) 1.032 9.410 ( -2.026 0.707 5.161) 5.589 9.443 ( 0.869 -0.717 -2.243) 2.510 9.531 ( 0.332 -1.329 0.308) 1.404 9.559 ( -2.233 -0.371 -2.752) 3.564 9.601 ( -1.151 0.265 1.080) 1.601 9.622 ( -0.436 -0.908 -0.691) 1.221 9.646 ( 0.789 1.175 0.611) 1.542 9.690 ( -1.213 -0.689 -2.242) 2.640 9.861 ( 2.758 -2.814 -0.928) 4.048 9.889 ( -1.947 -1.288 1.158) 2.606 9.933 ( 1.639 0.059 0.883) 1.863 9.957 ( -0.690 1.039 -0.277) 1.278 9.992 ( 1.245 -2.720 0.166) 2.996 10.017 ( -1.154 -1.745 -0.125) 2.096 10.092 ( 1.164 -1.021 1.325) 2.038 10.137 ( -1.950 -1.792 -1.367) 2.980 10.398 ( 0.203 3.622 2.639) 4.486 10.422 ( 0.144 3.670 -2.422) 4.399 10.664 ( 1.957 -0.792 -2.629) 3.372 10.688 ( -3.218 -1.020 1.611) 3.740 10.783 ( 0.911 -1.673 1.100) 2.200 10.803 ( 0.573 -3.281 -1.506) 3.656 10.944 ( 1.388 0.074 0.122) 1.395 10.986 ( -3.042 -1.608 0.270) 3.452 11.786 ( 7.065 9.698 0.265) 12.002 11.818 ( 4.810 8.566 -0.137) 9.825 12.554 ( -8.895 -7.924 -1.461) 12.002 12.584 ( -13.920 -10.363 1.141) 17.392 13.578 ( 6.974 31.764 -6.740) 33.212 13.634 ( -8.231 36.042 8.162) 37.860 14.466 ( -3.196 14.924 14.465) 21.028 14.550 ( -0.113 10.354 -7.657) 12.878 15.234 ( 8.822 0.769 -0.282) 8.860 15.297 ( 3.461 5.635 2.478) 7.062 15.475 ( 0.734 -4.807 0.761) 4.922 15.546 ( -5.289 -3.864 1.816) 6.797 16.084 ( 4.290 -1.082 1.797) 4.776 16.100 ( 5.428 -2.671 -2.032) 6.382 16.493 ( -1.660 -6.532 2.861) 7.321 16.518 ( -0.614 -7.620 -3.269) 8.314 19.609 ( -1.214 6.313 -3.642) 7.389 19.621 ( -2.065 6.160 -5.398) 8.447 19.947 ( 3.582 1.209 -4.803) 6.113 20.002 ( -6.788 3.244 0.048) 7.523 20.223 ( 2.114 -10.274 6.034) 12.100 20.271 ( 1.096 -8.063 -2.014) 8.382 20.404 ( -1.824 -2.358 7.166) 7.762 20.442 ( 1.154 -3.851 -4.565) 6.083 21.034 ( -3.822 3.299 4.035) 6.463 21.061 ( 1.481 2.316 -10.206) 10.569 21.360 ( 1.460 -4.586 -0.010) 4.813 21.396 ( -1.752 -6.143 -1.973) 6.686 21.651 ( -0.147 5.040 0.990) 5.138 21.663 ( -0.136 5.392 -1.565) 5.616 21.936 ( 0.891 1.307 1.869) 2.449 21.970 ( -1.847 2.733 -0.790) 3.392 22.018 ( 3.108 -3.156 2.265) 4.975 22.069 ( -1.074 -2.485 0.230) 2.717 22.199 ( -1.815 2.443 5.807) 6.556 22.211 ( 0.951 -0.363 0.368) 1.083 22.285 ( 2.295 0.433 -2.161) 3.182 22.333 ( -1.673 -1.284 -4.881) 5.317 22.517 ( 3.824 -3.766 2.181) 5.793 22.546 ( -1.568 -5.662 4.018) 7.118 22.675 ( -0.166 -1.600 2.832) 3.257 22.701 ( 0.011 -0.130 -2.805) 2.808 22.746 ( 1.059 -2.797 1.772) 3.476 22.775 ( -0.693 -1.822 -1.375) 2.385 23.037 ( -0.897 1.706 0.812) 2.091 23.045 ( 0.108 2.240 -1.595) 2.752 23.089 ( -0.112 1.241 0.170) 1.258 23.108 ( -1.302 0.308 -1.335) 1.890 23.222 ( 0.987 -0.012 2.173) 2.387 23.273 ( -1.552 -0.401 -3.588) 3.929 23.351 ( 2.320 -3.841 -0.958) 4.588 23.391 ( -2.380 -4.466 -0.569) 5.092 ======================= Grid point 88 (42/44) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -1.506 7.589 -3.203) 8.374 0.947 ( 1.506 7.589 3.203) 8.374 1.016 ( 2.520 6.985 -5.614) 9.309 1.016 ( -2.520 6.985 5.614) 9.309 1.139 ( -2.789 -1.648 0.065) 3.240 1.139 ( 2.789 -1.648 -0.065) 3.240 1.193 ( -1.606 -5.029 -1.921) 5.618 1.193 ( 1.606 -5.029 1.921) 5.618 1.271 ( -1.413 -0.230 -0.889) 1.685 1.271 ( 1.413 -0.230 0.889) 1.685 1.304 ( -1.287 -1.608 -1.128) 2.349 1.304 ( 1.287 -1.608 1.128) 2.349 1.377 ( -1.760 2.060 -0.246) 2.721 1.377 ( 1.760 2.060 0.246) 2.721 1.422 ( -0.897 0.489 -1.425) 1.754 1.422 ( 0.897 0.489 1.425) 1.754 1.448 ( 0.330 -0.305 -0.890) 0.997 1.448 ( -0.330 -0.305 0.890) 0.997 1.463 ( -0.410 -0.928 -0.561) 1.159 1.463 ( 0.410 -0.928 0.561) 1.159 1.514 ( 0.128 -1.257 -0.707) 1.448 1.514 ( -0.128 -1.257 0.707) 1.448 1.534 ( -0.359 -0.151 -0.662) 0.768 1.534 ( 0.359 -0.151 0.662) 0.768 1.562 ( -0.879 1.003 -2.310) 2.667 1.562 ( 0.879 1.003 2.310) 2.667 1.593 ( -0.287 -1.126 -3.246) 3.447 1.593 ( 0.287 -1.126 3.246) 3.447 1.677 ( 0.772 2.441 -3.759) 4.548 1.677 ( -0.772 2.441 3.759) 4.548 1.714 ( -0.509 -0.795 -2.142) 2.340 1.714 ( 0.509 -0.795 2.142) 2.340 1.931 ( 2.895 3.468 -2.151) 5.003 1.931 ( -2.895 3.468 2.151) 5.003 2.043 ( -1.613 -0.888 -0.142) 1.847 2.043 ( 1.613 -0.888 0.142) 1.847 2.110 ( -0.723 4.235 -1.215) 4.464 2.110 ( 0.723 4.235 1.215) 4.464 2.152 ( -1.552 2.140 -1.284) 2.939 2.152 ( 1.552 2.140 1.284) 2.939 2.232 ( -0.253 1.606 -1.389) 2.138 2.232 ( 0.253 1.606 1.389) 2.138 2.288 ( -0.666 -0.411 -3.878) 3.956 2.288 ( 0.666 -0.411 3.878) 3.956 2.362 ( -1.378 1.617 -4.133) 4.647 2.362 ( 1.378 1.617 4.133) 4.647 2.513 ( -2.194 -0.099 -3.663) 4.270 2.513 ( 2.194 -0.099 3.663) 4.270 2.594 ( -0.758 3.041 0.110) 3.136 2.594 ( 0.758 3.041 -0.110) 3.136 2.715 ( -2.272 2.374 -0.247) 3.295 2.715 ( 2.272 2.374 0.247) 3.295 2.829 ( -2.923 -0.403 -3.133) 4.304 2.829 ( 2.923 -0.403 3.133) 4.304 2.879 ( -1.300 -6.109 -1.540) 6.432 2.879 ( 1.300 -6.109 1.540) 6.432 3.200 ( 0.565 -0.203 -1.974) 2.064 3.200 ( -0.565 -0.203 1.974) 2.064 3.333 ( -0.168 -0.689 -1.294) 1.476 3.333 ( 0.168 -0.689 1.294) 1.476 3.493 ( -1.327 2.286 -1.418) 3.000 3.493 ( 1.327 2.286 1.418) 3.000 3.551 ( -1.773 -0.572 0.132) 1.868 3.551 ( 1.773 -0.572 -0.132) 1.868 3.816 ( 0.555 4.076 -4.929) 6.420 3.816 ( -0.555 4.076 4.929) 6.420 3.845 ( -0.581 1.134 0.031) 1.275 3.845 ( 0.581 1.134 -0.031) 1.275 3.952 ( -0.865 -0.568 -0.556) 1.175 3.952 ( 0.865 -0.568 0.556) 1.175 4.014 ( 2.028 -6.182 -1.122) 6.602 4.014 ( -2.028 -6.182 1.122) 6.602 4.250 ( -4.142 2.682 -3.783) 6.218 4.250 ( 4.142 2.682 3.783) 6.218 4.303 ( 2.434 1.420 -2.208) 3.580 4.303 ( -2.434 1.420 2.208) 3.580 4.381 ( -1.428 -0.922 -0.884) 1.916 4.381 ( 1.428 -0.922 0.884) 1.916 4.474 ( 0.516 -0.639 -3.839) 3.926 4.474 ( -0.516 -0.639 3.839) 3.926 4.677 ( 2.106 1.242 -1.902) 3.098 4.677 ( -2.106 1.242 1.902) 3.098 4.761 ( -0.045 0.792 -1.383) 1.595 4.761 ( 0.045 0.792 1.383) 1.595 4.865 ( -1.192 1.209 -1.412) 2.208 4.865 ( 1.192 1.209 1.412) 2.208 4.923 ( 1.404 -3.900 -5.614) 6.978 4.923 ( -1.404 -3.900 5.614) 6.978 5.054 ( -0.730 -4.904 -4.913) 6.980 5.054 ( 0.730 -4.904 4.913) 6.980 5.256 ( 1.184 -2.381 -0.815) 2.781 5.256 ( -1.184 -2.381 0.815) 2.781 5.361 ( -1.042 -2.365 -0.204) 2.593 5.361 ( 1.042 -2.365 0.204) 2.593 5.471 ( -0.852 1.564 -2.946) 3.442 5.471 ( 0.852 1.564 2.946) 3.442 5.567 ( -0.506 0.377 -0.840) 1.051 5.567 ( 0.506 0.377 0.840) 1.051 5.658 ( -1.752 1.728 -2.172) 3.283 5.658 ( 1.752 1.728 2.172) 3.283 5.800 ( -1.501 2.007 -2.128) 3.288 5.800 ( 1.501 2.007 2.128) 3.288 5.917 ( -2.995 -6.805 -3.716) 8.312 5.917 ( 2.995 -6.805 3.716) 8.312 6.071 ( -1.677 2.486 -1.065) 3.182 6.071 ( 1.677 2.486 1.065) 3.182 6.205 ( -2.446 -8.902 -3.496) 9.872 6.205 ( 2.446 -8.902 3.496) 9.872 7.246 ( -2.528 3.770 -2.808) 5.338 7.246 ( 2.528 3.770 2.808) 5.338 7.297 ( -0.950 0.246 -3.616) 3.746 7.297 ( 0.950 0.246 3.616) 3.746 7.700 ( -2.898 8.704 -1.528) 9.300 7.700 ( 2.898 8.704 1.528) 9.300 7.808 ( -1.597 -2.079 -0.349) 2.645 7.808 ( 1.597 -2.079 0.349) 2.645 8.169 ( -1.601 6.184 -1.943) 6.677 8.169 ( 1.601 6.184 1.943) 6.677 8.278 ( -1.752 -4.798 -2.221) 5.570 8.278 ( 1.752 -4.798 2.221) 5.570 8.886 ( -0.163 1.877 -1.142) 2.204 8.886 ( 0.163 1.877 1.142) 2.204 8.939 ( -0.989 -1.270 -0.980) 1.885 8.939 ( 0.989 -1.270 0.980) 1.885 9.199 ( -0.380 0.517 -2.300) 2.388 9.199 ( 0.380 0.517 2.300) 2.388 9.320 ( -1.733 -0.859 -1.550) 2.479 9.320 ( 1.733 -0.859 1.550) 2.479 9.402 ( 1.387 -0.026 -2.093) 2.511 9.402 ( -1.387 -0.026 2.093) 2.511 9.480 ( -0.096 -1.153 -0.930) 1.484 9.480 ( 0.096 -1.153 0.930) 1.484 9.649 ( -0.808 -0.021 -0.319) 0.869 9.649 ( 0.808 -0.021 0.319) 0.869 9.690 ( -0.344 -2.866 -1.995) 3.509 9.690 ( 0.344 -2.866 1.995) 3.509 9.858 ( -0.473 1.749 -1.873) 2.606 9.858 ( 0.473 1.749 1.873) 2.606 9.942 ( -0.139 0.122 -0.714) 0.737 9.942 ( 0.139 0.122 0.714) 0.737 10.038 ( -1.124 0.396 0.239) 1.215 10.038 ( 1.124 0.396 -0.239) 1.215 10.085 ( 0.220 -1.066 -2.043) 2.315 10.085 ( -0.220 -1.066 2.043) 2.315 10.485 ( 0.383 4.312 -1.721) 4.659 10.485 ( -0.383 4.312 1.721) 4.659 10.653 ( 0.320 -4.336 -2.078) 4.819 10.653 ( -0.320 -4.336 2.078) 4.819 10.748 ( 0.126 0.354 -0.260) 0.457 10.748 ( -0.126 0.354 0.260) 0.457 10.969 ( -0.209 -0.874 -0.759) 1.176 10.969 ( 0.209 -0.874 0.759) 1.176 12.168 ( 0.222 26.358 -0.549) 26.364 12.168 ( -0.222 26.358 0.549) 26.364 12.662 ( -0.034 -22.040 -0.458) 22.045 12.662 ( 0.034 -22.040 0.458) 22.045 14.162 ( 2.473 23.993 -8.048) 25.427 14.162 ( -2.473 23.993 8.048) 25.427 14.561 ( 3.953 -5.727 -2.806) 7.503 14.561 ( -3.953 -5.727 2.806) 7.503 15.205 ( -3.161 13.127 -4.179) 14.134 15.205 ( 3.161 13.127 4.179) 14.134 15.457 ( -3.934 -12.888 -2.294) 13.669 15.457 ( 3.934 -12.888 2.294) 13.669 15.977 ( -0.042 11.363 -2.369) 11.608 15.977 ( 0.042 11.363 2.369) 11.608 16.319 ( 2.430 -12.715 -2.313) 13.151 16.319 ( -2.430 -12.715 2.313) 13.151 19.789 ( -0.229 0.503 -3.472) 3.515 19.789 ( 0.229 0.503 3.472) 3.515 19.849 ( -1.413 -4.206 -2.542) 5.114 19.849 ( 1.413 -4.206 2.542) 5.114 20.278 ( 3.159 0.806 -6.001) 6.830 20.278 ( -3.159 0.806 6.001) 6.830 20.345 ( 3.274 -0.995 -5.845) 6.773 20.345 ( -3.274 -0.995 5.845) 6.773 21.258 ( -1.448 2.088 -2.411) 3.503 21.258 ( 1.448 2.088 2.411) 3.503 21.355 ( -0.269 -0.236 -4.186) 4.201 21.355 ( 0.269 -0.236 4.186) 4.201 21.730 ( -0.747 0.027 -4.006) 4.075 21.730 ( 0.747 0.027 4.006) 4.075 21.769 ( -1.318 -3.065 -2.922) 4.435 21.769 ( 1.318 -3.065 2.922) 4.435 22.101 ( 3.023 3.688 -4.166) 6.332 22.101 ( -3.023 3.688 4.166) 6.332 22.168 ( -3.048 -0.762 0.046) 3.142 22.168 ( 3.048 -0.762 -0.046) 3.142 22.298 ( 0.198 -2.013 -3.755) 4.265 22.298 ( -0.198 -2.013 3.755) 4.265 22.391 ( 0.966 -1.580 -2.381) 3.017 22.391 ( -0.966 -1.580 2.381) 3.017 22.612 ( -0.610 -1.287 -0.657) 1.568 22.612 ( 0.610 -1.287 0.657) 1.568 22.768 ( -0.499 -0.044 -0.161) 0.526 22.768 ( 0.499 -0.044 0.161) 0.526 23.104 ( -0.412 0.754 -0.229) 0.889 23.104 ( 0.412 0.754 0.229) 0.889 23.126 ( -0.389 0.903 -1.050) 1.439 23.126 ( 0.389 0.903 1.050) 1.439 23.235 ( -1.209 -1.561 -0.787) 2.126 23.235 ( 1.209 -1.561 0.787) 2.126 23.363 ( -0.199 -1.124 -0.858) 1.428 23.363 ( 0.199 -1.124 0.858) 1.428 ======================= Grid point 90 (43/44) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -2.892 10.559 5.593) 12.294 0.999 ( -0.087 4.477 6.759) 8.108 1.047 ( 5.235 6.913 -4.934) 9.977 1.071 ( 2.682 7.069 2.772) 8.053 1.115 ( -0.011 1.179 1.914) 2.248 1.164 ( 0.795 -2.714 -0.521) 2.875 1.191 ( 0.299 -2.087 0.260) 2.124 1.228 ( -0.777 -3.494 0.296) 3.592 1.260 ( -2.444 0.743 -0.130) 2.557 1.280 ( 0.906 -3.126 2.054) 3.849 1.284 ( -2.521 2.059 0.236) 3.263 1.334 ( 0.496 -2.404 0.415) 2.489 1.349 ( 0.273 -0.028 -0.122) 0.301 1.368 ( -0.378 -0.450 0.024) 0.588 1.392 ( -3.232 3.226 0.363) 4.581 1.413 ( -0.319 0.360 -1.228) 1.319 1.446 ( 1.334 0.672 -0.392) 1.544 1.454 ( -1.122 -2.431 -0.064) 2.678 1.466 ( -0.589 -2.680 0.428) 2.777 1.476 ( 0.514 -1.258 0.250) 1.382 1.507 ( -0.694 0.907 1.841) 2.166 1.510 ( -0.325 0.242 -0.437) 0.596 1.520 ( 0.788 -0.426 0.123) 0.904 1.540 ( 1.721 -1.298 0.669) 2.257 1.576 ( 1.885 0.692 0.290) 2.029 1.589 ( 3.585 0.143 0.984) 3.721 1.630 ( 1.996 0.401 1.669) 2.633 1.645 ( 0.259 0.122 -0.208) 0.354 1.699 ( 3.097 1.332 5.978) 6.863 1.741 ( 1.026 1.916 4.897) 5.358 1.750 ( 3.342 -2.040 4.169) 5.719 1.775 ( 1.998 -0.536 6.625) 6.940 1.881 ( -2.164 7.326 0.834) 7.685 1.931 ( -0.387 4.199 -1.475) 4.467 1.983 ( -0.699 2.559 -4.995) 5.655 2.021 ( -1.084 -4.050 -2.054) 4.668 2.048 ( -5.207 0.318 -0.111) 5.217 2.069 ( 0.107 1.736 -8.071) 8.256 2.129 ( 0.639 4.773 -3.156) 5.758 2.173 ( 0.477 2.410 -2.432) 3.457 2.243 ( 2.113 -4.537 -4.628) 6.816 2.262 ( 0.581 -2.677 -5.038) 5.735 2.268 ( 1.546 3.360 -0.263) 3.708 2.300 ( 0.327 -0.052 -3.007) 3.025 2.339 ( -0.913 2.221 -0.135) 2.406 2.389 ( 5.168 -1.006 1.784) 5.559 2.510 ( 0.766 3.734 0.584) 3.856 2.559 ( -1.376 -0.673 -6.158) 6.345 2.574 ( 0.764 2.888 -0.856) 3.107 2.593 ( 1.411 0.695 -1.497) 2.172 2.705 ( 2.141 5.060 3.356) 6.438 2.718 ( 1.502 4.806 -1.969) 5.407 2.840 ( 2.840 -6.626 1.185) 7.305 2.868 ( 0.843 -4.690 1.836) 5.107 2.917 ( 1.464 -1.048 4.453) 4.803 2.957 ( 3.433 -2.277 6.380) 7.594 3.198 ( -1.073 1.186 2.625) 3.073 3.251 ( -0.361 -3.785 2.421) 4.507 3.270 ( -1.371 6.403 0.487) 6.566 3.368 ( 1.615 -2.753 -0.622) 3.252 3.426 ( -5.888 1.054 0.542) 6.006 3.473 ( -4.090 -3.357 1.648) 5.542 3.563 ( -0.270 1.705 3.585) 3.979 3.587 ( 1.361 0.005 0.898) 1.630 3.755 ( -2.968 6.022 -3.565) 7.601 3.811 ( 0.242 5.162 -1.986) 5.536 3.832 ( -2.422 1.146 2.053) 3.376 3.866 ( 0.312 -0.883 3.166) 3.301 3.915 ( -5.183 -7.093 0.540) 8.801 3.933 ( 0.746 1.214 -2.147) 2.577 3.987 ( -1.012 -2.316 -3.434) 4.263 4.021 ( 1.151 -3.280 -1.381) 3.740 4.168 ( -1.936 3.155 0.803) 3.788 4.232 ( -2.744 -2.629 -1.584) 4.116 4.273 ( -2.852 2.642 -2.953) 4.882 4.320 ( -2.950 -2.029 -2.561) 4.402 4.396 ( 4.785 2.156 0.739) 5.300 4.445 ( 1.938 -1.454 1.488) 2.844 4.464 ( 4.877 1.434 -1.479) 5.294 4.515 ( 1.277 -3.178 1.090) 3.594 4.682 ( -0.140 3.278 -2.136) 3.915 4.720 ( 2.339 -0.248 -0.343) 2.377 4.812 ( 3.176 5.966 3.843) 7.775 4.835 ( 5.779 0.281 1.093) 5.888 4.887 ( 4.411 1.349 0.267) 4.620 4.926 ( 3.661 1.525 0.411) 3.987 4.945 ( 4.303 -1.735 -2.663) 5.350 5.008 ( 3.535 -6.588 -0.256) 7.480 5.030 ( 3.730 -1.488 1.666) 4.348 5.119 ( 1.765 -6.288 3.167) 7.259 5.285 ( 5.895 0.430 -3.300) 6.769 5.314 ( 6.972 -1.539 0.022) 7.140 5.388 ( 1.523 1.287 2.563) 3.247 5.396 ( 1.581 4.433 -3.265) 5.728 5.455 ( 3.187 -4.053 3.168) 6.052 5.503 ( 1.542 -3.331 0.335) 3.686 5.574 ( 2.356 0.089 -1.034) 2.575 5.606 ( 3.408 -0.647 0.126) 3.471 5.618 ( 0.143 -0.234 -0.429) 0.509 5.679 ( 0.923 -3.393 -1.181) 3.709 5.807 ( 1.425 -1.000 -2.288) 2.875 5.811 ( 2.329 0.169 -0.765) 2.458 5.912 ( 6.471 1.363 -0.479) 6.630 5.984 ( 0.382 -5.793 2.226) 6.218 6.058 ( 2.930 1.089 0.557) 3.175 6.100 ( 1.168 0.583 -1.589) 2.056 6.164 ( 1.443 -6.317 -1.705) 6.701 6.261 ( 0.543 -9.055 1.734) 9.235 7.140 ( -7.312 4.631 -1.401) 8.768 7.187 ( -7.663 0.752 -3.083) 8.294 7.267 ( -3.891 2.559 2.623) 5.344 7.290 ( -5.418 0.159 2.893) 6.144 7.685 ( 2.812 9.494 0.119) 9.903 7.796 ( 3.147 2.788 -0.156) 4.208 7.815 ( 5.320 0.269 0.415) 5.343 7.864 ( 4.752 -0.201 0.413) 4.774 8.107 ( -3.745 5.674 -0.739) 6.839 8.188 ( -1.686 5.007 0.841) 5.349 8.206 ( -4.570 -3.515 -0.873) 5.831 8.293 ( -2.531 -5.604 1.530) 6.337 8.854 ( -2.092 1.778 0.339) 2.766 8.886 ( -1.029 -0.821 -1.478) 1.980 8.933 ( 0.693 1.088 0.682) 1.459 8.959 ( 0.239 -1.331 0.728) 1.536 9.171 ( -0.111 2.261 -1.501) 2.716 9.227 ( 1.161 -2.847 -0.009) 3.075 9.283 ( -1.898 3.252 0.713) 3.832 9.349 ( 0.151 -2.186 0.961) 2.393 9.408 ( -0.116 -0.084 1.270) 1.278 9.411 ( 1.640 -0.755 -0.762) 1.960 9.492 ( 0.664 0.377 2.210) 2.338 9.522 ( 2.175 -2.017 2.342) 3.779 9.616 ( -1.956 -0.447 -0.943) 2.217 9.625 ( -2.081 -1.661 -2.896) 3.934 9.673 ( 0.201 -0.020 -0.993) 1.013 9.700 ( -0.708 -2.720 0.223) 2.820 9.830 ( 0.111 2.506 -2.358) 3.443 9.874 ( 0.141 -1.250 0.083) 1.261 9.925 ( -1.241 1.338 0.432) 1.875 9.949 ( -0.497 -0.739 0.979) 1.324 10.009 ( -2.127 0.762 0.549) 2.325 10.021 ( -1.654 -0.677 -0.528) 1.863 10.080 ( 0.279 0.896 -0.325) 0.994 10.113 ( 0.471 -2.143 0.322) 2.218 10.464 ( -0.820 4.483 0.483) 4.583 10.499 ( -0.157 2.195 -0.111) 2.203 10.636 ( 0.868 -2.401 -2.454) 3.541 10.661 ( -0.870 -3.976 1.016) 4.195 10.753 ( 0.782 0.209 -0.039) 0.810 10.757 ( 1.025 -0.099 -0.193) 1.047 10.954 ( -0.613 0.305 -0.440) 0.814 10.972 ( -0.628 -1.580 0.515) 1.777 12.109 ( -6.061 22.776 -0.008) 23.568 12.115 ( -5.424 22.343 0.092) 22.992 12.535 ( -13.681 -19.299 -0.496) 23.662 12.549 ( -13.302 -20.309 0.487) 24.283 14.160 ( 6.407 27.163 -6.598) 28.678 14.223 ( 0.159 21.593 5.748) 22.345 14.541 ( -1.793 -2.050 4.169) 4.979 14.591 ( 2.241 -7.550 -2.207) 8.179 15.189 ( 3.491 7.767 -0.742) 8.548 15.347 ( 6.357 8.655 4.866) 11.790 15.383 ( -2.770 -9.117 0.755) 9.558 15.505 ( -1.335 -5.967 1.645) 6.332 15.998 ( 5.661 8.249 0.058) 10.005 16.053 ( 5.502 7.885 -0.454) 9.625 16.308 ( -1.080 -11.963 1.903) 12.162 16.337 ( 1.973 -11.574 -1.922) 11.898 19.759 ( -0.464 4.618 -0.592) 4.679 19.787 ( -0.571 4.222 -1.753) 4.607 19.862 ( 0.417 -5.303 4.517) 6.978 19.918 ( 2.373 -8.593 4.262) 9.881 20.193 ( -3.620 2.205 -6.260) 7.560 20.226 ( -0.506 -1.370 -7.951) 8.085 20.357 ( -1.065 0.413 4.136) 4.291 20.382 ( 1.262 -2.141 0.279) 2.501 21.175 ( -3.596 4.135 -3.540) 6.524 21.214 ( -1.766 1.218 -8.618) 8.881 21.303 ( -0.222 -1.147 -3.975) 4.143 21.343 ( -0.615 -4.213 -5.170) 6.697 21.720 ( 0.959 4.053 1.503) 4.428 21.756 ( 0.218 3.608 2.648) 4.480 21.815 ( 1.810 -4.315 5.587) 7.288 21.854 ( 2.124 -5.220 5.557) 7.914 22.082 ( -2.777 3.220 2.523) 4.945 22.101 ( 1.983 5.881 -3.434) 7.094 22.142 ( -2.091 -2.502 3.184) 4.558 22.222 ( 1.515 -4.106 1.486) 4.622 22.260 ( -0.315 1.847 -1.582) 2.452 22.321 ( 1.503 -2.656 -0.450) 3.085 22.417 ( 1.303 -0.241 2.451) 2.786 22.432 ( 0.606 -2.176 3.899) 4.506 22.616 ( 0.614 -0.138 1.838) 1.942 22.642 ( 1.163 -2.523 2.270) 3.587 22.744 ( -1.136 1.096 -1.102) 1.925 22.769 ( -0.035 -1.172 -1.252) 1.715 23.092 ( -1.589 1.713 0.220) 2.347 23.098 ( -0.549 1.398 -0.833) 1.718 23.113 ( 0.264 0.163 -0.855) 0.910 23.121 ( -1.369 -1.125 -0.107) 1.775 23.219 ( 0.458 1.135 -0.514) 1.327 23.259 ( 1.442 -2.827 -0.297) 3.187 23.330 ( -1.055 0.047 -3.329) 3.493 23.354 ( -0.582 -2.314 -1.869) 3.031 ======================= Grid point 91 (44/44) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.194 10.787 8.041) 13.456 1.035 ( 0.633 8.807 -6.008) 10.679 1.077 ( 1.348 4.783 6.039) 7.820 1.132 ( 2.834 3.866 0.065) 4.794 1.138 ( -0.289 0.486 2.373) 2.439 1.161 ( -3.025 4.712 -1.588) 5.820 1.168 ( 0.672 -4.077 -2.148) 4.657 1.192 ( -3.456 0.259 0.420) 3.491 1.248 ( 1.427 2.044 1.933) 3.155 1.274 ( 0.557 0.627 1.126) 1.404 1.306 ( -2.015 -1.672 -0.687) 2.707 1.317 ( -1.947 -0.157 0.675) 2.067 1.335 ( 0.611 -2.626 0.095) 2.697 1.353 ( -0.123 -0.633 0.937) 1.138 1.384 ( 0.273 -1.561 -1.132) 1.947 1.397 ( -1.001 -1.560 -1.273) 2.249 1.433 ( -0.716 -1.865 1.591) 2.554 1.449 ( -0.266 -3.361 -1.666) 3.761 1.478 ( 0.519 -0.550 0.376) 0.845 1.485 ( -0.471 -1.137 0.704) 1.418 1.504 ( 0.848 0.644 0.648) 1.247 1.518 ( 0.012 -0.632 0.079) 0.637 1.545 ( 0.778 0.457 0.989) 1.339 1.557 ( 0.062 -0.955 -0.018) 0.957 1.621 ( 3.410 4.146 -0.510) 5.392 1.652 ( -0.175 1.936 0.776) 2.093 1.674 ( 3.395 1.613 1.606) 4.088 1.695 ( 3.347 -0.025 -0.770) 3.435 1.784 ( -1.385 1.116 7.801) 8.001 1.828 ( 0.377 -1.555 4.590) 4.861 1.832 ( 1.764 1.732 6.728) 7.167 1.864 ( 1.711 1.096 4.892) 5.297 1.877 ( 0.474 1.766 -3.317) 3.788 1.923 ( 0.382 2.101 2.526) 3.308 1.956 ( -2.291 4.413 -4.517) 6.718 1.964 ( 0.943 2.541 -1.042) 2.904 1.981 ( -1.843 -0.745 -0.377) 2.023 2.002 ( 1.594 -2.467 -9.561) 10.002 2.084 ( 0.862 0.000 -4.674) 4.753 2.139 ( -1.136 -3.258 -8.864) 9.512 2.167 ( 0.576 1.383 -0.535) 1.590 2.214 ( -1.868 -0.176 -2.054) 2.782 2.290 ( 2.743 0.176 0.300) 2.765 2.316 ( 0.111 -2.291 0.326) 2.317 2.378 ( 2.667 4.610 2.055) 5.709 2.449 ( 0.071 2.589 -2.367) 3.508 2.467 ( -1.414 -0.954 -1.082) 2.020 2.496 ( -0.550 2.109 -2.239) 3.125 2.584 ( 0.020 1.763 1.802) 2.521 2.597 ( 0.590 -0.760 -1.431) 1.724 2.740 ( 3.122 3.480 -0.959) 4.772 2.785 ( -0.937 -0.532 1.642) 1.964 2.860 ( 2.947 3.727 1.717) 5.052 2.930 ( -0.959 3.224 -0.058) 3.364 2.969 ( 4.594 -5.562 0.386) 7.224 3.028 ( -2.411 -4.350 2.983) 5.800 3.212 ( 0.700 0.435 2.932) 3.046 3.230 ( -1.335 -0.836 3.053) 3.435 3.299 ( 0.820 2.170 -0.872) 2.478 3.339 ( -4.049 -2.204 -0.941) 4.705 3.422 ( 2.196 0.608 5.827) 6.257 3.471 ( 0.556 -3.886 2.986) 4.932 3.552 ( -2.466 0.035 -2.000) 3.175 3.569 ( -2.175 -0.326 -3.711) 4.314 3.715 ( 1.516 6.150 1.275) 6.461 3.781 ( -1.877 5.289 -2.745) 6.248 3.829 ( 0.721 -0.612 -0.663) 1.155 3.872 ( -4.468 1.601 3.291) 5.775 3.889 ( 2.524 -3.131 -1.434) 4.270 3.923 ( -2.260 -0.929 -0.178) 2.450 3.952 ( 1.387 -0.487 2.729) 3.099 4.006 ( -0.669 -2.676 -3.218) 4.239 4.171 ( -1.039 0.295 1.432) 1.794 4.188 ( 0.142 -0.624 -2.674) 2.749 4.209 ( 0.019 -0.495 -1.088) 1.195 4.251 ( -3.747 -2.689 -0.163) 4.615 4.452 ( 2.371 0.766 1.089) 2.719 4.482 ( 0.129 -2.065 0.460) 2.120 4.515 ( 3.526 -0.375 -2.330) 4.243 4.534 ( -0.227 -1.972 0.375) 2.020 4.670 ( 1.558 2.865 -1.151) 3.458 4.705 ( -2.157 -0.005 -1.076) 2.410 4.858 ( 0.124 1.309 1.055) 1.686 4.874 ( -0.756 -0.809 -0.575) 1.247 4.957 ( 3.536 3.804 -0.080) 5.194 4.973 ( 1.155 2.943 0.209) 3.169 4.997 ( 2.768 3.484 1.270) 4.627 5.029 ( 1.312 -1.019 -1.299) 2.109 5.109 ( 0.887 -1.295 3.527) 3.860 5.156 ( -0.432 -0.680 -0.318) 0.866 5.319 ( 3.806 1.025 -0.836) 4.029 5.390 ( -1.282 -2.110 -1.139) 2.719 5.407 ( 1.018 2.534 1.415) 3.076 5.442 ( 1.333 0.941 0.632) 1.750 5.502 ( 1.640 -0.979 -1.142) 2.225 5.526 ( 1.100 -3.821 -1.239) 4.164 5.620 ( 2.244 -1.714 1.789) 3.343 5.641 ( 1.796 -1.161 -1.848) 2.826 5.665 ( 3.423 -5.457 1.891) 6.713 5.718 ( 0.297 -7.683 -3.177) 8.319 5.832 ( 7.900 5.863 4.178) 10.688 5.927 ( 5.438 -0.132 0.211) 5.444 5.995 ( 1.161 -1.690 0.592) 2.134 6.036 ( 3.303 -2.887 -1.769) 4.730 6.095 ( 4.129 -0.747 -2.576) 4.924 6.137 ( 3.066 -1.236 0.851) 3.413 6.191 ( 4.751 -4.400 -1.558) 6.660 6.263 ( -2.074 -6.969 0.644) 7.299 7.020 ( -5.256 3.925 0.258) 6.565 7.037 ( -6.382 2.854 -1.347) 7.120 7.207 ( -4.014 0.356 1.231) 4.214 7.217 ( -4.636 -0.831 0.780) 4.774 7.773 ( 6.304 6.608 1.062) 9.194 7.831 ( 1.287 1.454 0.144) 1.947 7.890 ( 2.266 4.114 -0.743) 4.755 7.913 ( -0.482 2.672 -1.335) 3.026 8.089 ( 2.524 1.412 1.337) 3.186 8.139 ( -1.673 -2.759 1.128) 3.419 8.154 ( -2.293 2.030 -0.266) 3.074 8.227 ( -6.227 -5.377 -0.250) 8.231 8.838 ( -0.724 0.828 1.172) 1.607 8.853 ( -0.801 -0.479 -1.555) 1.814 8.952 ( 0.404 0.380 0.948) 1.098 8.962 ( -0.065 -0.650 -0.300) 0.719 9.177 ( 2.074 2.909 -0.184) 3.577 9.218 ( -2.037 0.332 -0.450) 2.112 9.291 ( 1.850 0.420 1.087) 2.187 9.339 ( -2.272 -2.570 -0.287) 3.443 9.425 ( 0.422 0.954 2.645) 2.843 9.440 ( 1.977 -0.182 -0.562) 2.064 9.516 ( 0.030 0.526 0.456) 0.697 9.551 ( -2.277 -1.342 -3.238) 4.180 9.574 ( 1.156 -1.219 1.469) 2.232 9.589 ( -1.097 -1.886 1.233) 2.506 9.664 ( 0.062 0.259 -0.853) 0.894 9.676 ( -1.002 -0.989 -1.316) 1.927 9.829 ( 1.746 0.642 -0.798) 2.024 9.858 ( -1.886 -1.429 -0.093) 2.368 9.927 ( 1.180 0.081 0.215) 1.202 9.948 ( -1.272 -1.378 1.037) 2.143 9.989 ( -0.845 0.493 0.482) 1.091 9.995 ( -0.915 -0.416 -0.458) 1.105 10.081 ( 0.467 0.188 0.047) 0.506 10.100 ( -1.114 -1.643 -0.890) 2.175 10.469 ( 0.261 3.104 1.000) 3.272 10.485 ( -0.775 1.952 -0.479) 2.154 10.635 ( 1.829 -1.327 -2.088) 3.076 10.649 ( -1.792 -2.353 1.226) 3.201 10.766 ( 0.598 -0.184 0.131) 0.639 10.769 ( 0.590 -0.520 -0.332) 0.853 10.949 ( 0.279 0.357 0.036) 0.455 10.961 ( -1.029 -0.958 0.080) 1.408 12.036 ( -1.606 14.581 -0.067) 14.670 12.049 ( -2.442 14.011 0.115) 14.223 12.320 ( -8.719 -13.556 -0.491) 16.125 12.338 ( -10.612 -14.498 0.470) 17.973 14.214 ( 6.513 26.477 -4.546) 27.642 14.251 ( -2.791 23.278 3.652) 23.727 14.573 ( -0.362 -2.930 4.129) 5.075 14.594 ( 1.208 -5.230 -2.587) 5.959 15.263 ( 4.750 2.378 1.142) 5.433 15.340 ( -3.225 -3.959 -0.496) 5.130 15.463 ( 2.710 2.629 1.496) 4.061 15.488 ( -1.743 -1.802 1.821) 3.099 16.096 ( 4.675 4.164 -0.183) 6.263 16.115 ( 2.102 4.894 -0.254) 5.333 16.322 ( 0.333 -9.716 1.594) 9.852 16.339 ( 0.271 -9.520 -1.296) 9.612 19.760 ( 0.073 8.576 1.039) 8.639 19.771 ( -0.147 9.213 -0.613) 9.235 19.911 ( 1.950 -5.621 2.283) 6.373 19.968 ( -1.654 -9.491 0.593) 9.653 20.100 ( -0.867 0.870 -0.189) 1.243 20.146 ( -0.758 -3.877 -5.980) 7.167 20.374 ( -0.849 -0.551 2.609) 2.798 20.386 ( 0.710 -1.825 -2.153) 2.910 21.106 ( -3.178 3.521 1.467) 4.965 21.117 ( 0.865 2.713 -7.530) 8.050 21.268 ( -0.825 -3.701 -0.374) 3.810 21.282 ( 0.087 -4.734 -4.620) 6.616 21.758 ( 1.194 5.798 1.707) 6.161 21.778 ( -0.452 5.860 0.920) 5.949 21.884 ( 1.108 -5.366 3.065) 6.279 21.905 ( 0.104 -5.546 0.758) 5.598 22.082 ( -1.002 4.826 3.185) 5.868 22.097 ( 0.872 5.191 -2.275) 5.735 22.166 ( -0.072 -3.312 4.626) 5.689 22.210 ( 0.531 -4.458 -4.512) 6.365 22.288 ( -1.095 2.221 6.261) 6.733 22.324 ( 1.584 -0.648 -4.578) 4.888 22.456 ( 0.160 -1.772 2.395) 2.983 22.463 ( 0.480 -2.410 0.383) 2.487 22.665 ( 1.183 0.471 4.183) 4.373 22.690 ( 1.045 -1.912 3.489) 4.114 22.716 ( -0.145 0.831 -2.832) 2.955 22.742 ( -0.972 -1.558 -2.610) 3.191 23.065 ( -0.973 1.118 0.149) 1.489 23.076 ( -0.851 0.390 -1.933) 2.147 23.102 ( 0.014 0.756 0.993) 1.248 23.115 ( -0.341 -0.080 -0.435) 0.558 23.235 ( 0.857 1.398 1.439) 2.182 23.275 ( -0.664 -0.117 -3.180) 3.250 23.281 ( 0.903 -1.979 0.232) 2.188 23.317 ( -1.169 -2.991 -2.385) 4.000 =================== 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 3/28560 10.0 2.591 2.895 3.272 0.000 -0.598 0.000 3/28560 20.0 0.703 0.798 0.910 0.000 -0.155 0.000 3/28560 30.0 0.406 0.455 0.528 0.000 -0.077 0.000 3/28560 40.0 0.297 0.328 0.384 0.000 -0.049 0.000 3/28560 50.0 0.244 0.266 0.309 0.000 -0.036 0.000 3/28560 60.0 0.213 0.231 0.262 0.000 -0.029 0.000 3/28560 70.0 0.193 0.210 0.231 0.000 -0.024 0.000 3/28560 80.0 0.180 0.196 0.208 0.000 -0.021 0.000 3/28560 90.0 0.170 0.186 0.191 0.000 -0.018 0.000 3/28560 100.0 0.163 0.179 0.178 0.000 -0.017 0.000 3/28560 110.0 0.157 0.175 0.167 0.000 -0.015 0.000 3/28560 120.0 0.152 0.171 0.159 0.000 -0.014 0.000 3/28560 130.0 0.148 0.168 0.153 0.000 -0.013 0.000 3/28560 140.0 0.145 0.166 0.148 0.000 -0.012 0.000 3/28560 150.0 0.142 0.164 0.144 0.000 -0.011 0.000 3/28560 160.0 0.139 0.162 0.141 0.000 -0.010 0.000 3/28560 170.0 0.136 0.160 0.138 0.000 -0.009 0.000 3/28560 180.0 0.134 0.158 0.136 0.000 -0.008 0.000 3/28560 190.0 0.131 0.156 0.134 0.000 -0.008 0.000 3/28560 200.0 0.129 0.154 0.132 0.000 -0.007 0.000 3/28560 210.0 0.126 0.152 0.131 0.000 -0.007 0.000 3/28560 220.0 0.124 0.150 0.129 0.000 -0.006 0.000 3/28560 230.0 0.121 0.148 0.128 0.000 -0.006 0.000 3/28560 240.0 0.119 0.146 0.127 0.000 -0.005 0.000 3/28560 250.0 0.117 0.144 0.126 0.000 -0.005 0.000 3/28560 260.0 0.114 0.142 0.124 0.000 -0.005 0.000 3/28560 270.0 0.112 0.139 0.123 0.000 -0.004 0.000 3/28560 280.0 0.110 0.137 0.122 0.000 -0.004 0.000 3/28560 290.0 0.108 0.135 0.120 0.000 -0.004 0.000 3/28560 300.0 0.106 0.133 0.119 0.000 -0.004 0.000 3/28560 310.0 0.104 0.131 0.117 0.000 -0.003 0.000 3/28560 320.0 0.102 0.129 0.116 0.000 -0.003 0.000 3/28560 330.0 0.100 0.127 0.115 0.000 -0.003 0.000 3/28560 340.0 0.098 0.125 0.113 0.000 -0.003 0.000 3/28560 350.0 0.096 0.123 0.112 0.000 -0.003 0.000 3/28560 360.0 0.094 0.121 0.110 0.000 -0.003 0.000 3/28560 370.0 0.093 0.119 0.109 0.000 -0.002 0.000 3/28560 380.0 0.091 0.117 0.108 0.000 -0.002 0.000 3/28560 390.0 0.089 0.115 0.106 0.000 -0.002 0.000 3/28560 400.0 0.088 0.113 0.105 0.000 -0.002 0.000 3/28560 410.0 0.086 0.111 0.103 0.000 -0.002 0.000 3/28560 420.0 0.085 0.110 0.102 0.000 -0.002 0.000 3/28560 430.0 0.083 0.108 0.101 0.000 -0.002 0.000 3/28560 440.0 0.082 0.106 0.099 0.000 -0.002 0.000 3/28560 450.0 0.080 0.105 0.098 0.000 -0.002 0.000 3/28560 460.0 0.079 0.103 0.097 0.000 -0.002 0.000 3/28560 470.0 0.078 0.102 0.096 0.000 -0.002 0.000 3/28560 480.0 0.076 0.100 0.094 0.000 -0.001 0.000 3/28560 490.0 0.075 0.099 0.093 0.000 -0.001 0.000 3/28560 500.0 0.074 0.097 0.092 0.000 -0.001 0.000 3/28560 510.0 0.073 0.096 0.091 0.000 -0.001 0.000 3/28560 520.0 0.072 0.094 0.089 0.000 -0.001 0.000 3/28560 530.0 0.071 0.093 0.088 0.000 -0.001 0.000 3/28560 540.0 0.070 0.092 0.087 0.000 -0.001 0.000 3/28560 550.0 0.069 0.090 0.086 0.000 -0.001 0.000 3/28560 560.0 0.068 0.089 0.085 0.000 -0.001 0.000 3/28560 570.0 0.067 0.088 0.084 0.000 -0.001 0.000 3/28560 580.0 0.066 0.087 0.083 0.000 -0.001 0.000 3/28560 590.0 0.065 0.085 0.082 0.000 -0.001 0.000 3/28560 600.0 0.064 0.084 0.081 0.000 -0.001 0.000 3/28560 610.0 0.063 0.083 0.080 0.000 -0.001 0.000 3/28560 620.0 0.062 0.082 0.079 0.000 -0.001 0.000 3/28560 630.0 0.061 0.081 0.078 0.000 -0.001 0.000 3/28560 640.0 0.060 0.080 0.077 0.000 -0.001 0.000 3/28560 650.0 0.059 0.079 0.076 0.000 -0.001 0.000 3/28560 660.0 0.059 0.078 0.075 0.000 -0.001 0.000 3/28560 670.0 0.058 0.077 0.074 0.000 -0.001 0.000 3/28560 680.0 0.057 0.076 0.073 0.000 -0.001 0.000 3/28560 690.0 0.056 0.075 0.072 0.000 -0.001 0.000 3/28560 700.0 0.056 0.074 0.072 0.000 -0.001 0.000 3/28560 710.0 0.055 0.073 0.071 0.000 -0.001 0.000 3/28560 720.0 0.054 0.072 0.070 0.000 -0.001 0.000 3/28560 730.0 0.054 0.071 0.069 0.000 -0.001 0.000 3/28560 740.0 0.053 0.071 0.068 0.000 -0.001 0.000 3/28560 750.0 0.052 0.070 0.068 0.000 -0.001 0.000 3/28560 760.0 0.052 0.069 0.067 0.000 -0.001 0.000 3/28560 770.0 0.051 0.068 0.066 0.000 -0.001 0.000 3/28560 780.0 0.051 0.067 0.066 0.000 -0.001 0.000 3/28560 790.0 0.050 0.067 0.065 0.000 -0.001 0.000 3/28560 800.0 0.049 0.066 0.064 0.000 -0.001 0.000 3/28560 810.0 0.049 0.065 0.064 0.000 -0.001 0.000 3/28560 820.0 0.048 0.065 0.063 0.000 -0.001 0.000 3/28560 830.0 0.048 0.064 0.062 0.000 -0.000 0.000 3/28560 840.0 0.047 0.063 0.062 0.000 -0.000 0.000 3/28560 850.0 0.047 0.062 0.061 0.000 -0.000 0.000 3/28560 860.0 0.046 0.062 0.060 0.000 -0.000 0.000 3/28560 870.0 0.046 0.061 0.060 0.000 -0.000 0.000 3/28560 880.0 0.045 0.061 0.059 0.000 -0.000 0.000 3/28560 890.0 0.045 0.060 0.059 0.000 -0.000 0.000 3/28560 900.0 0.044 0.059 0.058 0.000 -0.000 0.000 3/28560 910.0 0.044 0.059 0.057 0.000 -0.000 0.000 3/28560 920.0 0.043 0.058 0.057 0.000 -0.000 0.000 3/28560 930.0 0.043 0.058 0.056 0.000 -0.000 0.000 3/28560 940.0 0.043 0.057 0.056 0.000 -0.000 0.000 3/28560 950.0 0.042 0.057 0.055 0.000 -0.000 0.000 3/28560 960.0 0.042 0.056 0.055 0.000 -0.000 0.000 3/28560 970.0 0.041 0.055 0.054 0.000 -0.000 0.000 3/28560 980.0 0.041 0.055 0.054 0.000 -0.000 0.000 3/28560 990.0 0.041 0.054 0.053 0.000 -0.000 0.000 3/28560 1000.0 0.040 0.054 0.053 0.000 -0.000 0.000 3/28560 Thermal conductivity related properties were written into "kappa-m574.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:12:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|