----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:00:19]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.194381260085320 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825715740000000 0.000000000000000 c -0.954711930685730 0.000000000000000 6.599406277099368 Atomic positions (fractional): *1 Er 0.84778725092082 0.64397018053787 0.97774097016864 167.259 2 Er 0.84778725092082 0.85602981946213 0.47774097016864 167.259 *3 Er 0.53190133816532 0.61885571443784 0.22824369637289 167.259 4 Er 0.46809866183469 0.11885571443784 0.27175630362711 167.259 5 Er 0.53190133816532 0.88114428556216 0.72824369637289 167.259 6 Er 0.46809866183469 0.38114428556216 0.77175630362711 167.259 7 Er 0.15221274907918 0.14397018053787 0.52225902983136 167.259 8 Er 0.15221274907918 0.35602981946213 0.02225902983136 167.259 *9 Ge 0.79983801102616 0.10345958944324 0.98206361515022 72.640 10 Ge 0.79983801102616 0.39654041055676 0.48206361515022 72.640 11 Ge 0.20016198897384 0.60345958944324 0.51793638484978 72.640 12 Ge 0.20016198897384 0.89654041055676 0.01793638484978 72.640 *13 O 0.90274049388591 0.18367452142759 0.48655953881045 15.999 *14 O 0.86410358798824 0.92609110797362 0.16147980445207 15.999 *15 O 0.78058162122764 0.56984399997594 0.27672788735824 15.999 16 O 0.90274049388591 0.31632547857241 0.98655953881045 15.999 *17 O 0.60627513927652 0.35326865903039 0.46886966329997 15.999 *18 O 0.60475446150043 0.88016411428692 0.41433648827161 15.999 19 O 0.86410358798824 0.57390889202638 0.66147980445207 15.999 20 O 0.78058162122764 0.93015600002406 0.77672788735824 15.999 21 O 0.60627513927652 0.14673134096961 0.96886966329997 15.999 22 O 0.60475446150043 0.61983588571308 0.91433648827161 15.999 23 O 0.39524553849957 0.38016411428692 0.08566351172839 15.999 24 O 0.39372486072348 0.85326865903039 0.03113033670003 15.999 25 O 0.21941837877236 0.06984399997594 0.22327211264176 15.999 26 O 0.13589641201176 0.42609110797362 0.33852019554793 15.999 27 O 0.39524553849957 0.11983588571308 0.58566351172839 15.999 28 O 0.39372486072348 0.64673134096961 0.53113033670003 15.999 29 O 0.09725950611409 0.68367452142759 0.01344046118955 15.999 30 O 0.21941837877236 0.43015600002406 0.72327211264176 15.999 31 O 0.13589641201176 0.07390889202638 0.83852019554793 15.999 32 O 0.09725950611409 0.81632547857241 0.51344046118955 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.194381260085320 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825715740000000 0.000000000000000 c -0.954711930685730 0.000000000000000 6.599406277099368 Atomic positions (fractional): *1 Er 0.84778725092082 0.64397018053787 0.97774097016864 167.259 > 1 2 Er 0.84778725092082 0.85602981946213 0.47774097016864 167.259 > 2 *3 Er 0.53190133816532 0.61885571443784 0.22824369637289 167.259 > 3 4 Er 0.46809866183469 0.11885571443784 0.27175630362711 167.259 > 4 5 Er 0.53190133816532 0.88114428556216 0.72824369637289 167.259 > 5 6 Er 0.46809866183469 0.38114428556216 0.77175630362711 167.259 > 6 7 Er 0.15221274907918 0.14397018053787 0.52225902983136 167.259 > 7 8 Er 0.15221274907918 0.35602981946213 0.02225902983136 167.259 > 8 *9 Ge 0.79983801102616 0.10345958944324 0.98206361515022 72.640 > 9 10 Ge 0.79983801102616 0.39654041055676 0.48206361515022 72.640 > 10 11 Ge 0.20016198897384 0.60345958944324 0.51793638484978 72.640 > 11 12 Ge 0.20016198897384 0.89654041055676 0.01793638484978 72.640 > 12 *13 O 0.90274049388591 0.18367452142759 0.48655953881045 15.999 > 13 *14 O 0.86410358798824 0.92609110797362 0.16147980445207 15.999 > 14 *15 O 0.78058162122764 0.56984399997594 0.27672788735824 15.999 > 15 16 O 0.90274049388591 0.31632547857241 0.98655953881045 15.999 > 16 *17 O 0.60627513927652 0.35326865903039 0.46886966329997 15.999 > 17 *18 O 0.60475446150043 0.88016411428692 0.41433648827161 15.999 > 18 19 O 0.86410358798824 0.57390889202638 0.66147980445207 15.999 > 19 20 O 0.78058162122764 0.93015600002406 0.77672788735824 15.999 > 20 21 O 0.60627513927652 0.14673134096961 0.96886966329997 15.999 > 21 22 O 0.60475446150043 0.61983588571308 0.91433648827161 15.999 > 22 23 O 0.39524553849957 0.38016411428692 0.08566351172839 15.999 > 23 24 O 0.39372486072348 0.85326865903039 0.03113033670003 15.999 > 24 25 O 0.21941837877236 0.06984399997594 0.22327211264176 15.999 > 25 26 O 0.13589641201176 0.42609110797362 0.33852019554793 15.999 > 26 27 O 0.39524553849957 0.11983588571308 0.58566351172839 15.999 > 27 28 O 0.39372486072348 0.64673134096961 0.53113033670003 15.999 > 28 29 O 0.09725950611409 0.68367452142759 0.01344046118955 15.999 > 29 30 O 0.21941837877236 0.43015600002406 0.72327211264176 15.999 > 30 31 O 0.13589641201176 0.07390889202638 0.83852019554793 15.999 > 31 32 O 0.09725950611409 0.81632547857241 0.51344046118955 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.194381260085320 0.000000000000000 0.000000000000000 b 0.000000000000000 13.651431479999999 0.000000000000000 c -1.909423861371460 0.000000000000000 13.198812554198735 Atomic positions (fractional): *1 Er 0.84778725092082 0.32198509026894 0.48887048508432 167.259 > 1 2 Er 0.84778725092082 0.82198509026894 0.48887048508432 167.259 > 1 3 Er 0.84778725092082 0.32198509026894 0.98887048508432 167.259 > 1 4 Er 0.84778725092082 0.82198509026894 0.98887048508432 167.259 > 1 5 Er 0.84778725092082 0.42801490973106 0.23887048508432 167.259 > 2 6 Er 0.84778725092082 0.92801490973106 0.23887048508432 167.259 > 2 7 Er 0.84778725092082 0.42801490973106 0.73887048508432 167.259 > 2 8 Er 0.84778725092082 0.92801490973106 0.73887048508432 167.259 > 2 *9 Er 0.53190133816532 0.30942785721892 0.11412184818644 167.259 > 3 10 Er 0.53190133816532 0.80942785721892 0.11412184818644 167.259 > 3 11 Er 0.53190133816532 0.30942785721892 0.61412184818644 167.259 > 3 12 Er 0.53190133816532 0.80942785721892 0.61412184818644 167.259 > 3 13 Er 0.46809866183469 0.05942785721892 0.13587815181356 167.259 > 4 14 Er 0.46809866183469 0.55942785721892 0.13587815181356 167.259 > 4 15 Er 0.46809866183469 0.05942785721892 0.63587815181356 167.259 > 4 16 Er 0.46809866183469 0.55942785721892 0.63587815181356 167.259 > 4 17 Er 0.53190133816532 0.44057214278108 0.36412184818644 167.259 > 5 18 Er 0.53190133816532 0.94057214278108 0.36412184818644 167.259 > 5 19 Er 0.53190133816532 0.44057214278108 0.86412184818644 167.259 > 5 20 Er 0.53190133816532 0.94057214278108 0.86412184818644 167.259 > 5 21 Er 0.46809866183469 0.19057214278108 0.38587815181356 167.259 > 6 22 Er 0.46809866183469 0.69057214278108 0.38587815181356 167.259 > 6 23 Er 0.46809866183469 0.19057214278108 0.88587815181356 167.259 > 6 24 Er 0.46809866183469 0.69057214278108 0.88587815181356 167.259 > 6 25 Er 0.15221274907918 0.07198509026894 0.26112951491568 167.259 > 7 26 Er 0.15221274907918 0.57198509026894 0.26112951491568 167.259 > 7 27 Er 0.15221274907918 0.07198509026894 0.76112951491568 167.259 > 7 28 Er 0.15221274907918 0.57198509026894 0.76112951491568 167.259 > 7 29 Er 0.15221274907918 0.17801490973106 0.01112951491568 167.259 > 8 30 Er 0.15221274907918 0.67801490973106 0.01112951491568 167.259 > 8 31 Er 0.15221274907918 0.17801490973106 0.51112951491568 167.259 > 8 32 Er 0.15221274907918 0.67801490973106 0.51112951491568 167.259 > 8 *33 Ge 0.79983801102616 0.05172979472162 0.49103180757511 72.640 > 9 34 Ge 0.79983801102616 0.55172979472162 0.49103180757511 72.640 > 9 35 Ge 0.79983801102616 0.05172979472162 0.99103180757511 72.640 > 9 36 Ge 0.79983801102616 0.55172979472162 0.99103180757511 72.640 > 9 37 Ge 0.79983801102616 0.19827020527838 0.24103180757511 72.640 > 10 38 Ge 0.79983801102616 0.69827020527838 0.24103180757511 72.640 > 10 39 Ge 0.79983801102616 0.19827020527838 0.74103180757511 72.640 > 10 40 Ge 0.79983801102616 0.69827020527838 0.74103180757511 72.640 > 10 41 Ge 0.20016198897384 0.30172979472162 0.25896819242489 72.640 > 11 42 Ge 0.20016198897384 0.80172979472162 0.25896819242489 72.640 > 11 43 Ge 0.20016198897384 0.30172979472162 0.75896819242489 72.640 > 11 44 Ge 0.20016198897384 0.80172979472162 0.75896819242489 72.640 > 11 45 Ge 0.20016198897384 0.44827020527838 0.00896819242489 72.640 > 12 46 Ge 0.20016198897384 0.94827020527838 0.00896819242489 72.640 > 12 47 Ge 0.20016198897384 0.44827020527838 0.50896819242489 72.640 > 12 48 Ge 0.20016198897384 0.94827020527838 0.50896819242489 72.640 > 12 *49 O 0.90274049388591 0.09183726071379 0.24327976940523 15.999 > 13 50 O 0.90274049388591 0.59183726071379 0.24327976940523 15.999 > 13 51 O 0.90274049388591 0.09183726071379 0.74327976940523 15.999 > 13 52 O 0.90274049388591 0.59183726071379 0.74327976940523 15.999 > 13 *53 O 0.86410358798824 0.46304555398681 0.08073990222604 15.999 > 14 54 O 0.86410358798824 0.96304555398681 0.08073990222604 15.999 > 14 55 O 0.86410358798824 0.46304555398681 0.58073990222604 15.999 > 14 56 O 0.86410358798824 0.96304555398681 0.58073990222604 15.999 > 14 *57 O 0.78058162122764 0.28492199998797 0.13836394367912 15.999 > 15 58 O 0.78058162122764 0.78492199998797 0.13836394367912 15.999 > 15 59 O 0.78058162122764 0.28492199998797 0.63836394367912 15.999 > 15 60 O 0.78058162122764 0.78492199998797 0.63836394367912 15.999 > 15 61 O 0.90274049388591 0.15816273928621 0.49327976940523 15.999 > 16 62 O 0.90274049388591 0.65816273928621 0.49327976940523 15.999 > 16 63 O 0.90274049388591 0.15816273928621 0.99327976940523 15.999 > 16 64 O 0.90274049388591 0.65816273928621 0.99327976940523 15.999 > 16 *65 O 0.60627513927652 0.17663432951520 0.23443483164999 15.999 > 17 66 O 0.60627513927652 0.67663432951520 0.23443483164999 15.999 > 17 67 O 0.60627513927652 0.17663432951520 0.73443483164999 15.999 > 17 68 O 0.60627513927652 0.67663432951520 0.73443483164999 15.999 > 17 *69 O 0.60475446150043 0.44008205714346 0.20716824413581 15.999 > 18 70 O 0.60475446150043 0.94008205714346 0.20716824413581 15.999 > 18 71 O 0.60475446150043 0.44008205714346 0.70716824413581 15.999 > 18 72 O 0.60475446150043 0.94008205714346 0.70716824413581 15.999 > 18 73 O 0.86410358798824 0.28695444601319 0.33073990222604 15.999 > 19 74 O 0.86410358798824 0.78695444601319 0.33073990222604 15.999 > 19 75 O 0.86410358798824 0.28695444601319 0.83073990222604 15.999 > 19 76 O 0.86410358798824 0.78695444601319 0.83073990222604 15.999 > 19 77 O 0.78058162122764 0.46507800001203 0.38836394367912 15.999 > 20 78 O 0.78058162122764 0.96507800001203 0.38836394367912 15.999 > 20 79 O 0.78058162122764 0.46507800001203 0.88836394367912 15.999 > 20 80 O 0.78058162122764 0.96507800001203 0.88836394367912 15.999 > 20 81 O 0.60627513927652 0.07336567048480 0.48443483164999 15.999 > 21 82 O 0.60627513927652 0.57336567048480 0.48443483164999 15.999 > 21 83 O 0.60627513927652 0.07336567048480 0.98443483164999 15.999 > 21 84 O 0.60627513927652 0.57336567048480 0.98443483164999 15.999 > 21 85 O 0.60475446150043 0.30991794285654 0.45716824413581 15.999 > 22 86 O 0.60475446150043 0.80991794285654 0.45716824413581 15.999 > 22 87 O 0.60475446150043 0.30991794285654 0.95716824413581 15.999 > 22 88 O 0.60475446150043 0.80991794285654 0.95716824413581 15.999 > 22 89 O 0.39524553849957 0.19008205714346 0.04283175586419 15.999 > 23 90 O 0.39524553849957 0.69008205714346 0.04283175586419 15.999 > 23 91 O 0.39524553849957 0.19008205714346 0.54283175586419 15.999 > 23 92 O 0.39524553849957 0.69008205714346 0.54283175586419 15.999 > 23 93 O 0.39372486072348 0.42663432951520 0.01556516835001 15.999 > 24 94 O 0.39372486072348 0.92663432951520 0.01556516835001 15.999 > 24 95 O 0.39372486072348 0.42663432951520 0.51556516835001 15.999 > 24 96 O 0.39372486072348 0.92663432951520 0.51556516835001 15.999 > 24 97 O 0.21941837877236 0.03492199998797 0.11163605632088 15.999 > 25 98 O 0.21941837877236 0.53492199998797 0.11163605632088 15.999 > 25 99 O 0.21941837877236 0.03492199998797 0.61163605632088 15.999 > 25 100 O 0.21941837877236 0.53492199998797 0.61163605632088 15.999 > 25 101 O 0.13589641201176 0.21304555398681 0.16926009777396 15.999 > 26 102 O 0.13589641201176 0.71304555398681 0.16926009777396 15.999 > 26 103 O 0.13589641201176 0.21304555398681 0.66926009777396 15.999 > 26 104 O 0.13589641201176 0.71304555398681 0.66926009777396 15.999 > 26 105 O 0.39524553849957 0.05991794285654 0.29283175586419 15.999 > 27 106 O 0.39524553849957 0.55991794285654 0.29283175586419 15.999 > 27 107 O 0.39524553849957 0.05991794285654 0.79283175586419 15.999 > 27 108 O 0.39524553849957 0.55991794285654 0.79283175586419 15.999 > 27 109 O 0.39372486072348 0.32336567048480 0.26556516835001 15.999 > 28 110 O 0.39372486072348 0.82336567048480 0.26556516835001 15.999 > 28 111 O 0.39372486072348 0.32336567048480 0.76556516835001 15.999 > 28 112 O 0.39372486072348 0.82336567048480 0.76556516835001 15.999 > 28 113 O 0.09725950611409 0.34183726071379 0.00672023059477 15.999 > 29 114 O 0.09725950611409 0.84183726071379 0.00672023059477 15.999 > 29 115 O 0.09725950611409 0.34183726071379 0.50672023059477 15.999 > 29 116 O 0.09725950611409 0.84183726071379 0.50672023059477 15.999 > 29 117 O 0.21941837877236 0.21507800001203 0.36163605632088 15.999 > 30 118 O 0.21941837877236 0.71507800001203 0.36163605632088 15.999 > 30 119 O 0.21941837877236 0.21507800001203 0.86163605632088 15.999 > 30 120 O 0.21941837877236 0.71507800001203 0.86163605632088 15.999 > 30 121 O 0.13589641201176 0.03695444601319 0.41926009777396 15.999 > 31 122 O 0.13589641201176 0.53695444601319 0.41926009777396 15.999 > 31 123 O 0.13589641201176 0.03695444601319 0.91926009777396 15.999 > 31 124 O 0.13589641201176 0.53695444601319 0.91926009777396 15.999 > 31 125 O 0.09725950611409 0.40816273928621 0.25672023059477 15.999 > 32 126 O 0.09725950611409 0.90816273928621 0.25672023059477 15.999 > 32 127 O 0.09725950611409 0.40816273928621 0.75672023059477 15.999 > 32 128 O 0.09725950611409 0.90816273928621 0.75672023059477 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8417905 0.0000000 0.0806568 0.0000000 3.9937801 0.0000000 0.0806584 0.0000000 3.8586986 -------------------------- Born effective charges -------------------------- 1 Er 4.0478421 -0.0967742 -0.0994268 0.0128132 3.7700821 0.1652176 -0.1662640 0.0968267 3.8995658 2 Er 4.0478421 0.0967742 -0.0994268 -0.0128132 3.7700821 -0.1652176 -0.1662640 -0.0968267 3.8995658 3 Er 3.1963536 -0.0749582 0.1958358 0.1576100 3.7525529 0.2082512 0.1512719 0.2808194 3.9287365 4 Er 3.1963536 0.0749582 0.1958358 -0.1576100 3.7525529 -0.2082512 0.1512719 -0.2808194 3.9287365 5 Er 3.1963536 0.0749582 0.1958358 -0.1576100 3.7525529 -0.2082512 0.1512719 -0.2808194 3.9287365 6 Er 3.1963536 -0.0749582 0.1958358 0.1576100 3.7525529 0.2082512 0.1512719 0.2808194 3.9287365 7 Er 4.0478421 0.0967742 -0.0994268 -0.0128132 3.7700821 -0.1652176 -0.1662640 -0.0968267 3.8995658 8 Er 4.0478421 -0.0967742 -0.0994268 0.0128132 3.7700821 0.1652176 -0.1662640 0.0968267 3.8995658 9 Ge 3.3024502 0.3730089 0.2233542 0.1457373 3.6505946 0.0626764 0.3132983 0.0986508 2.9178618 10 Ge 3.3024502 -0.3730089 0.2233542 -0.1457373 3.6505946 -0.0626764 0.3132983 -0.0986508 2.9178618 11 Ge 3.3024502 -0.3730089 0.2233542 -0.1457373 3.6505946 -0.0626764 0.3132983 -0.0986508 2.9178618 12 Ge 3.3024502 0.3730089 0.2233542 0.1457373 3.6505946 0.0626764 0.3132983 0.0986508 2.9178618 13 O -2.4890208 0.4944347 -0.1407720 0.4665201 -2.7195056 0.0182762 -0.1631001 0.0136579 -1.2170031 14 O -1.3823575 0.0410978 0.0268749 -0.0137983 -2.1938385 0.1808189 0.0011294 0.3736730 -2.6545557 15 O -1.8821362 -0.0534940 0.1356102 -0.0359863 -1.9340836 0.2616733 0.0345557 0.5158787 -2.4877136 16 O -2.4890208 -0.4944347 -0.1407720 -0.4665201 -2.7195056 -0.0182762 -0.1631001 -0.0136579 -1.2170031 17 O -2.3379261 -0.2284856 -0.1485507 -0.4140441 -1.9022451 -0.0273739 -0.0097879 0.0155759 -1.9034076 18 O -2.4552051 0.2373030 -0.1929256 0.3599013 -2.4235567 -0.0774227 -0.1611034 -0.0747936 -2.4834842 19 O -1.3823575 -0.0410978 0.0268749 0.0137983 -2.1938385 -0.1808189 0.0011294 -0.3736730 -2.6545557 20 O -1.8821362 0.0534940 0.1356102 0.0359863 -1.9340836 -0.2616733 0.0345557 -0.5158787 -2.4877136 21 O -2.3379261 0.2284856 -0.1485507 0.4140441 -1.9022451 0.0273739 -0.0097879 -0.0155759 -1.9034076 22 O -2.4552051 -0.2373030 -0.1929256 -0.3599013 -2.4235567 0.0774227 -0.1611034 0.0747936 -2.4834842 23 O -2.4552051 -0.2373030 -0.1929256 -0.3599013 -2.4235567 0.0774227 -0.1611034 0.0747936 -2.4834842 24 O -2.3379261 0.2284856 -0.1485507 0.4140441 -1.9022451 0.0273739 -0.0097879 -0.0155759 -1.9034076 25 O -1.8821362 0.0534940 0.1356102 0.0359863 -1.9340836 -0.2616733 0.0345557 -0.5158787 -2.4877136 26 O -1.3823575 -0.0410978 0.0268749 0.0137983 -2.1938385 -0.1808189 0.0011294 -0.3736730 -2.6545557 27 O -2.4552051 0.2373030 -0.1929256 0.3599013 -2.4235567 -0.0774227 -0.1611034 -0.0747936 -2.4834842 28 O -2.3379261 -0.2284856 -0.1485507 -0.4140441 -1.9022451 -0.0273739 -0.0097879 0.0155759 -1.9034076 29 O -2.4890208 -0.4944347 -0.1407720 -0.4665201 -2.7195056 -0.0182762 -0.1631001 -0.0136579 -1.2170031 30 O -1.8821362 -0.0534940 0.1356102 -0.0359863 -1.9340836 0.2616733 0.0345557 0.5158787 -2.4877136 31 O -1.3823575 0.0410978 0.0268749 -0.0137983 -2.1938385 0.1808189 0.0011294 0.3736730 -2.6545557 32 O -2.4890208 0.4944347 -0.1407720 0.4665201 -2.7195056 0.0182762 -0.1631001 0.0136579 -1.2170031 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.348 Solver_block: 200 / 960 - Time: 1.180 Solver_block: 300 / 960 - Time: 1.179 Solver_block: 400 / 960 - Time: 1.185 Solver_block: 500 / 960 - Time: 1.186 Solver_block: 600 / 960 - Time: 1.185 Solver_block: 700 / 960 - Time: 1.189 Solver_block: 800 / 960 - Time: 1.184 Solver_block: 900 / 960 - Time: 1.191 Solver_block: 960 / 960 - Time: 0.814 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.953 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:01:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:01:19]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.194381260085320 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825715740000000 0.000000000000000 c -0.954711930685730 0.000000000000000 6.599406277099368 Atomic positions (fractional): 1 Er 0.84778725092082 0.64397018053787 0.97774097016864 167.259 2 Er 0.84778725092082 0.85602981946213 0.47774097016864 167.259 3 Er 0.53190133816532 0.61885571443784 0.22824369637289 167.259 4 Er 0.46809866183469 0.11885571443784 0.27175630362711 167.259 5 Er 0.53190133816532 0.88114428556216 0.72824369637289 167.259 6 Er 0.46809866183469 0.38114428556216 0.77175630362711 167.259 7 Er 0.15221274907918 0.14397018053787 0.52225902983136 167.259 8 Er 0.15221274907918 0.35602981946213 0.02225902983136 167.259 9 Ge 0.79983801102616 0.10345958944324 0.98206361515022 72.640 10 Ge 0.79983801102616 0.39654041055676 0.48206361515022 72.640 11 Ge 0.20016198897384 0.60345958944324 0.51793638484978 72.640 12 Ge 0.20016198897384 0.89654041055676 0.01793638484978 72.640 13 O 0.90274049388591 0.18367452142759 0.48655953881045 15.999 14 O 0.86410358798824 0.92609110797362 0.16147980445207 15.999 15 O 0.78058162122764 0.56984399997594 0.27672788735824 15.999 16 O 0.90274049388591 0.31632547857241 0.98655953881045 15.999 17 O 0.60627513927652 0.35326865903039 0.46886966329997 15.999 18 O 0.60475446150043 0.88016411428692 0.41433648827161 15.999 19 O 0.86410358798824 0.57390889202638 0.66147980445207 15.999 20 O 0.78058162122764 0.93015600002406 0.77672788735824 15.999 21 O 0.60627513927652 0.14673134096961 0.96886966329997 15.999 22 O 0.60475446150043 0.61983588571308 0.91433648827161 15.999 23 O 0.39524553849957 0.38016411428692 0.08566351172839 15.999 24 O 0.39372486072348 0.85326865903039 0.03113033670003 15.999 25 O 0.21941837877236 0.06984399997594 0.22327211264176 15.999 26 O 0.13589641201176 0.42609110797362 0.33852019554793 15.999 27 O 0.39524553849957 0.11983588571308 0.58566351172839 15.999 28 O 0.39372486072348 0.64673134096961 0.53113033670003 15.999 29 O 0.09725950611409 0.68367452142759 0.01344046118955 15.999 30 O 0.21941837877236 0.43015600002406 0.72327211264176 15.999 31 O 0.13589641201176 0.07390889202638 0.83852019554793 15.999 32 O 0.09725950611409 0.81632547857241 0.51344046118955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.194381260085320 0.000000000000000 0.000000000000000 b 0.000000000000000 13.651431479999999 0.000000000000000 c -1.909423861371460 0.000000000000000 13.198812554198735 Atomic positions (fractional): 1 Er 0.84778725092082 0.32198509026894 0.48887048508432 167.259 > 1 2 Er 0.84778725092082 0.82198509026894 0.48887048508432 167.259 > 1 3 Er 0.84778725092082 0.32198509026894 0.98887048508432 167.259 > 1 4 Er 0.84778725092082 0.82198509026894 0.98887048508432 167.259 > 1 5 Er 0.84778725092082 0.42801490973106 0.23887048508432 167.259 > 5 6 Er 0.84778725092082 0.92801490973106 0.23887048508432 167.259 > 5 7 Er 0.84778725092082 0.42801490973106 0.73887048508432 167.259 > 5 8 Er 0.84778725092082 0.92801490973106 0.73887048508432 167.259 > 5 9 Er 0.53190133816532 0.30942785721892 0.11412184818644 167.259 > 9 10 Er 0.53190133816532 0.80942785721892 0.11412184818644 167.259 > 9 11 Er 0.53190133816532 0.30942785721892 0.61412184818644 167.259 > 9 12 Er 0.53190133816532 0.80942785721892 0.61412184818644 167.259 > 9 13 Er 0.46809866183469 0.05942785721892 0.13587815181356 167.259 > 13 14 Er 0.46809866183469 0.55942785721892 0.13587815181356 167.259 > 13 15 Er 0.46809866183469 0.05942785721892 0.63587815181356 167.259 > 13 16 Er 0.46809866183469 0.55942785721892 0.63587815181356 167.259 > 13 17 Er 0.53190133816532 0.44057214278108 0.36412184818644 167.259 > 17 18 Er 0.53190133816532 0.94057214278108 0.36412184818644 167.259 > 17 19 Er 0.53190133816532 0.44057214278108 0.86412184818644 167.259 > 17 20 Er 0.53190133816532 0.94057214278108 0.86412184818644 167.259 > 17 21 Er 0.46809866183469 0.19057214278108 0.38587815181356 167.259 > 21 22 Er 0.46809866183469 0.69057214278108 0.38587815181356 167.259 > 21 23 Er 0.46809866183469 0.19057214278108 0.88587815181356 167.259 > 21 24 Er 0.46809866183469 0.69057214278108 0.88587815181356 167.259 > 21 25 Er 0.15221274907918 0.07198509026894 0.26112951491568 167.259 > 25 26 Er 0.15221274907918 0.57198509026894 0.26112951491568 167.259 > 25 27 Er 0.15221274907918 0.07198509026894 0.76112951491568 167.259 > 25 28 Er 0.15221274907918 0.57198509026894 0.76112951491568 167.259 > 25 29 Er 0.15221274907918 0.17801490973106 0.01112951491568 167.259 > 29 30 Er 0.15221274907918 0.67801490973106 0.01112951491568 167.259 > 29 31 Er 0.15221274907918 0.17801490973106 0.51112951491568 167.259 > 29 32 Er 0.15221274907918 0.67801490973106 0.51112951491568 167.259 > 29 33 Ge 0.79983801102616 0.05172979472162 0.49103180757511 72.640 > 33 34 Ge 0.79983801102616 0.55172979472162 0.49103180757511 72.640 > 33 35 Ge 0.79983801102616 0.05172979472162 0.99103180757511 72.640 > 33 36 Ge 0.79983801102616 0.55172979472162 0.99103180757511 72.640 > 33 37 Ge 0.79983801102616 0.19827020527838 0.24103180757511 72.640 > 37 38 Ge 0.79983801102616 0.69827020527838 0.24103180757511 72.640 > 37 39 Ge 0.79983801102616 0.19827020527838 0.74103180757511 72.640 > 37 40 Ge 0.79983801102616 0.69827020527838 0.74103180757511 72.640 > 37 41 Ge 0.20016198897384 0.30172979472162 0.25896819242489 72.640 > 41 42 Ge 0.20016198897384 0.80172979472162 0.25896819242489 72.640 > 41 43 Ge 0.20016198897384 0.30172979472162 0.75896819242489 72.640 > 41 44 Ge 0.20016198897384 0.80172979472162 0.75896819242489 72.640 > 41 45 Ge 0.20016198897384 0.44827020527838 0.00896819242489 72.640 > 45 46 Ge 0.20016198897384 0.94827020527838 0.00896819242489 72.640 > 45 47 Ge 0.20016198897384 0.44827020527838 0.50896819242489 72.640 > 45 48 Ge 0.20016198897384 0.94827020527838 0.50896819242489 72.640 > 45 49 O 0.90274049388591 0.09183726071379 0.24327976940523 15.999 > 49 50 O 0.90274049388591 0.59183726071379 0.24327976940523 15.999 > 49 51 O 0.90274049388591 0.09183726071379 0.74327976940523 15.999 > 49 52 O 0.90274049388591 0.59183726071379 0.74327976940523 15.999 > 49 53 O 0.86410358798824 0.46304555398681 0.08073990222604 15.999 > 53 54 O 0.86410358798824 0.96304555398681 0.08073990222604 15.999 > 53 55 O 0.86410358798824 0.46304555398681 0.58073990222604 15.999 > 53 56 O 0.86410358798824 0.96304555398681 0.58073990222604 15.999 > 53 57 O 0.78058162122764 0.28492199998797 0.13836394367912 15.999 > 57 58 O 0.78058162122764 0.78492199998797 0.13836394367912 15.999 > 57 59 O 0.78058162122764 0.28492199998797 0.63836394367912 15.999 > 57 60 O 0.78058162122764 0.78492199998797 0.63836394367912 15.999 > 57 61 O 0.90274049388591 0.15816273928621 0.49327976940523 15.999 > 61 62 O 0.90274049388591 0.65816273928621 0.49327976940523 15.999 > 61 63 O 0.90274049388591 0.15816273928621 0.99327976940523 15.999 > 61 64 O 0.90274049388591 0.65816273928621 0.99327976940523 15.999 > 61 65 O 0.60627513927652 0.17663432951520 0.23443483164999 15.999 > 65 66 O 0.60627513927652 0.67663432951520 0.23443483164999 15.999 > 65 67 O 0.60627513927652 0.17663432951520 0.73443483164999 15.999 > 65 68 O 0.60627513927652 0.67663432951520 0.73443483164999 15.999 > 65 69 O 0.60475446150043 0.44008205714346 0.20716824413581 15.999 > 69 70 O 0.60475446150043 0.94008205714346 0.20716824413581 15.999 > 69 71 O 0.60475446150043 0.44008205714346 0.70716824413581 15.999 > 69 72 O 0.60475446150043 0.94008205714346 0.70716824413581 15.999 > 69 73 O 0.86410358798824 0.28695444601319 0.33073990222604 15.999 > 73 74 O 0.86410358798824 0.78695444601319 0.33073990222604 15.999 > 73 75 O 0.86410358798824 0.28695444601319 0.83073990222604 15.999 > 73 76 O 0.86410358798824 0.78695444601319 0.83073990222604 15.999 > 73 77 O 0.78058162122764 0.46507800001203 0.38836394367912 15.999 > 77 78 O 0.78058162122764 0.96507800001203 0.38836394367912 15.999 > 77 79 O 0.78058162122764 0.46507800001203 0.88836394367912 15.999 > 77 80 O 0.78058162122764 0.96507800001203 0.88836394367912 15.999 > 77 81 O 0.60627513927652 0.07336567048480 0.48443483164999 15.999 > 81 82 O 0.60627513927652 0.57336567048480 0.48443483164999 15.999 > 81 83 O 0.60627513927652 0.07336567048480 0.98443483164999 15.999 > 81 84 O 0.60627513927652 0.57336567048480 0.98443483164999 15.999 > 81 85 O 0.60475446150043 0.30991794285654 0.45716824413581 15.999 > 85 86 O 0.60475446150043 0.80991794285654 0.45716824413581 15.999 > 85 87 O 0.60475446150043 0.30991794285654 0.95716824413581 15.999 > 85 88 O 0.60475446150043 0.80991794285654 0.95716824413581 15.999 > 85 89 O 0.39524553849957 0.19008205714346 0.04283175586419 15.999 > 89 90 O 0.39524553849957 0.69008205714346 0.04283175586419 15.999 > 89 91 O 0.39524553849957 0.19008205714346 0.54283175586419 15.999 > 89 92 O 0.39524553849957 0.69008205714346 0.54283175586419 15.999 > 89 93 O 0.39372486072348 0.42663432951520 0.01556516835001 15.999 > 93 94 O 0.39372486072348 0.92663432951520 0.01556516835001 15.999 > 93 95 O 0.39372486072348 0.42663432951520 0.51556516835001 15.999 > 93 96 O 0.39372486072348 0.92663432951520 0.51556516835001 15.999 > 93 97 O 0.21941837877236 0.03492199998797 0.11163605632088 15.999 > 97 98 O 0.21941837877236 0.53492199998797 0.11163605632088 15.999 > 97 99 O 0.21941837877236 0.03492199998797 0.61163605632088 15.999 > 97 100 O 0.21941837877236 0.53492199998797 0.61163605632088 15.999 > 97 101 O 0.13589641201176 0.21304555398681 0.16926009777396 15.999 > 101 102 O 0.13589641201176 0.71304555398681 0.16926009777396 15.999 > 101 103 O 0.13589641201176 0.21304555398681 0.66926009777396 15.999 > 101 104 O 0.13589641201176 0.71304555398681 0.66926009777396 15.999 > 101 105 O 0.39524553849957 0.05991794285654 0.29283175586419 15.999 > 105 106 O 0.39524553849957 0.55991794285654 0.29283175586419 15.999 > 105 107 O 0.39524553849957 0.05991794285654 0.79283175586419 15.999 > 105 108 O 0.39524553849957 0.55991794285654 0.79283175586419 15.999 > 105 109 O 0.39372486072348 0.32336567048480 0.26556516835001 15.999 > 109 110 O 0.39372486072348 0.82336567048480 0.26556516835001 15.999 > 109 111 O 0.39372486072348 0.32336567048480 0.76556516835001 15.999 > 109 112 O 0.39372486072348 0.82336567048480 0.76556516835001 15.999 > 109 113 O 0.09725950611409 0.34183726071379 0.00672023059477 15.999 > 113 114 O 0.09725950611409 0.84183726071379 0.00672023059477 15.999 > 113 115 O 0.09725950611409 0.34183726071379 0.50672023059477 15.999 > 113 116 O 0.09725950611409 0.84183726071379 0.50672023059477 15.999 > 113 117 O 0.21941837877236 0.21507800001203 0.36163605632088 15.999 > 117 118 O 0.21941837877236 0.71507800001203 0.36163605632088 15.999 > 117 119 O 0.21941837877236 0.21507800001203 0.86163605632088 15.999 > 117 120 O 0.21941837877236 0.71507800001203 0.86163605632088 15.999 > 117 121 O 0.13589641201176 0.03695444601319 0.41926009777396 15.999 > 121 122 O 0.13589641201176 0.53695444601319 0.41926009777396 15.999 > 121 123 O 0.13589641201176 0.03695444601319 0.91926009777396 15.999 > 121 124 O 0.13589641201176 0.53695444601319 0.91926009777396 15.999 > 121 125 O 0.09725950611409 0.40816273928621 0.25672023059477 15.999 > 125 126 O 0.09725950611409 0.90816273928621 0.25672023059477 15.999 > 125 127 O 0.09725950611409 0.40816273928621 0.75672023059477 15.999 > 125 128 O 0.09725950611409 0.90816273928621 0.75672023059477 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8417905 0.0000000 0.0806568 0.0000000 3.9937801 0.0000000 0.0806584 0.0000000 3.8586986 -------------------------- Born effective charges -------------------------- 1 Er 4.0478421 -0.0967742 -0.0994268 0.0128132 3.7700821 0.1652176 -0.1662640 0.0968267 3.8995658 2 Er 4.0478421 0.0967742 -0.0994268 -0.0128132 3.7700821 -0.1652176 -0.1662640 -0.0968267 3.8995658 3 Er 3.1963536 -0.0749582 0.1958358 0.1576100 3.7525529 0.2082512 0.1512719 0.2808194 3.9287365 4 Er 3.1963536 0.0749582 0.1958358 -0.1576100 3.7525529 -0.2082512 0.1512719 -0.2808194 3.9287365 5 Er 3.1963536 0.0749582 0.1958358 -0.1576100 3.7525529 -0.2082512 0.1512719 -0.2808194 3.9287365 6 Er 3.1963536 -0.0749582 0.1958358 0.1576100 3.7525529 0.2082512 0.1512719 0.2808194 3.9287365 7 Er 4.0478421 0.0967742 -0.0994268 -0.0128132 3.7700821 -0.1652176 -0.1662640 -0.0968267 3.8995658 8 Er 4.0478421 -0.0967742 -0.0994268 0.0128132 3.7700821 0.1652176 -0.1662640 0.0968267 3.8995658 9 Ge 3.3024502 0.3730089 0.2233542 0.1457373 3.6505946 0.0626764 0.3132983 0.0986508 2.9178618 10 Ge 3.3024502 -0.3730089 0.2233542 -0.1457373 3.6505946 -0.0626764 0.3132983 -0.0986508 2.9178618 11 Ge 3.3024502 -0.3730089 0.2233542 -0.1457373 3.6505946 -0.0626764 0.3132983 -0.0986508 2.9178618 12 Ge 3.3024502 0.3730089 0.2233542 0.1457373 3.6505946 0.0626764 0.3132983 0.0986508 2.9178618 13 O -2.4890208 0.4944347 -0.1407720 0.4665201 -2.7195056 0.0182762 -0.1631001 0.0136579 -1.2170031 14 O -1.3823575 0.0410978 0.0268749 -0.0137983 -2.1938385 0.1808189 0.0011294 0.3736730 -2.6545557 15 O -1.8821362 -0.0534940 0.1356102 -0.0359863 -1.9340836 0.2616733 0.0345557 0.5158787 -2.4877136 16 O -2.4890208 -0.4944347 -0.1407720 -0.4665201 -2.7195056 -0.0182762 -0.1631001 -0.0136579 -1.2170031 17 O -2.3379261 -0.2284856 -0.1485507 -0.4140441 -1.9022451 -0.0273739 -0.0097879 0.0155759 -1.9034076 18 O -2.4552051 0.2373030 -0.1929256 0.3599013 -2.4235567 -0.0774227 -0.1611034 -0.0747936 -2.4834842 19 O -1.3823575 -0.0410978 0.0268749 0.0137983 -2.1938385 -0.1808189 0.0011294 -0.3736730 -2.6545557 20 O -1.8821362 0.0534940 0.1356102 0.0359863 -1.9340836 -0.2616733 0.0345557 -0.5158787 -2.4877136 21 O -2.3379261 0.2284856 -0.1485507 0.4140441 -1.9022451 0.0273739 -0.0097879 -0.0155759 -1.9034076 22 O -2.4552051 -0.2373030 -0.1929256 -0.3599013 -2.4235567 0.0774227 -0.1611034 0.0747936 -2.4834842 23 O -2.4552051 -0.2373030 -0.1929256 -0.3599013 -2.4235567 0.0774227 -0.1611034 0.0747936 -2.4834842 24 O -2.3379261 0.2284856 -0.1485507 0.4140441 -1.9022451 0.0273739 -0.0097879 -0.0155759 -1.9034076 25 O -1.8821362 0.0534940 0.1356102 0.0359863 -1.9340836 -0.2616733 0.0345557 -0.5158787 -2.4877136 26 O -1.3823575 -0.0410978 0.0268749 0.0137983 -2.1938385 -0.1808189 0.0011294 -0.3736730 -2.6545557 27 O -2.4552051 0.2373030 -0.1929256 0.3599013 -2.4235567 -0.0774227 -0.1611034 -0.0747936 -2.4834842 28 O -2.3379261 -0.2284856 -0.1485507 -0.4140441 -1.9022451 -0.0273739 -0.0097879 0.0155759 -1.9034076 29 O -2.4890208 -0.4944347 -0.1407720 -0.4665201 -2.7195056 -0.0182762 -0.1631001 -0.0136579 -1.2170031 30 O -1.8821362 -0.0534940 0.1356102 -0.0359863 -1.9340836 0.2616733 0.0345557 0.5158787 -2.4877136 31 O -1.3823575 0.0410978 0.0268749 -0.0137983 -2.1938385 0.1808189 0.0011294 0.3736730 -2.6545557 32 O -2.4890208 0.4944347 -0.1407720 0.4665201 -2.7195056 0.0182762 -0.1631001 0.0136579 -1.2170031 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 2026-01-09 03:02:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:02:05]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.194381260085320 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825715740000000 0.000000000000000 c -0.954711930685730 0.000000000000000 6.599406277099368 Atomic positions (fractional): 1 Er 0.84778725092082 0.64397018053787 0.97774097016864 167.259 2 Er 0.84778725092082 0.85602981946213 0.47774097016864 167.259 3 Er 0.53190133816532 0.61885571443784 0.22824369637289 167.259 4 Er 0.46809866183469 0.11885571443784 0.27175630362711 167.259 5 Er 0.53190133816532 0.88114428556216 0.72824369637289 167.259 6 Er 0.46809866183469 0.38114428556216 0.77175630362711 167.259 7 Er 0.15221274907918 0.14397018053787 0.52225902983136 167.259 8 Er 0.15221274907918 0.35602981946213 0.02225902983136 167.259 9 Ge 0.79983801102616 0.10345958944324 0.98206361515022 72.640 10 Ge 0.79983801102616 0.39654041055676 0.48206361515022 72.640 11 Ge 0.20016198897384 0.60345958944324 0.51793638484978 72.640 12 Ge 0.20016198897384 0.89654041055676 0.01793638484978 72.640 13 O 0.90274049388591 0.18367452142759 0.48655953881045 15.999 14 O 0.86410358798824 0.92609110797362 0.16147980445207 15.999 15 O 0.78058162122764 0.56984399997594 0.27672788735824 15.999 16 O 0.90274049388591 0.31632547857241 0.98655953881045 15.999 17 O 0.60627513927652 0.35326865903039 0.46886966329997 15.999 18 O 0.60475446150043 0.88016411428692 0.41433648827161 15.999 19 O 0.86410358798824 0.57390889202638 0.66147980445207 15.999 20 O 0.78058162122764 0.93015600002406 0.77672788735824 15.999 21 O 0.60627513927652 0.14673134096961 0.96886966329997 15.999 22 O 0.60475446150043 0.61983588571308 0.91433648827161 15.999 23 O 0.39524553849957 0.38016411428692 0.08566351172839 15.999 24 O 0.39372486072348 0.85326865903039 0.03113033670003 15.999 25 O 0.21941837877236 0.06984399997594 0.22327211264176 15.999 26 O 0.13589641201176 0.42609110797362 0.33852019554793 15.999 27 O 0.39524553849957 0.11983588571308 0.58566351172839 15.999 28 O 0.39372486072348 0.64673134096961 0.53113033670003 15.999 29 O 0.09725950611409 0.68367452142759 0.01344046118955 15.999 30 O 0.21941837877236 0.43015600002406 0.72327211264176 15.999 31 O 0.13589641201176 0.07390889202638 0.83852019554793 15.999 32 O 0.09725950611409 0.81632547857241 0.51344046118955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.194381260085320 0.000000000000000 0.000000000000000 b 0.000000000000000 13.651431479999999 0.000000000000000 c -1.909423861371460 0.000000000000000 13.198812554198735 Atomic positions (fractional): 1 Er 0.84778725092082 0.32198509026894 0.48887048508432 167.259 > 1 2 Er 0.84778725092082 0.82198509026894 0.48887048508432 167.259 > 1 3 Er 0.84778725092082 0.32198509026894 0.98887048508432 167.259 > 1 4 Er 0.84778725092082 0.82198509026894 0.98887048508432 167.259 > 1 5 Er 0.84778725092082 0.42801490973106 0.23887048508432 167.259 > 5 6 Er 0.84778725092082 0.92801490973106 0.23887048508432 167.259 > 5 7 Er 0.84778725092082 0.42801490973106 0.73887048508432 167.259 > 5 8 Er 0.84778725092082 0.92801490973106 0.73887048508432 167.259 > 5 9 Er 0.53190133816532 0.30942785721892 0.11412184818644 167.259 > 9 10 Er 0.53190133816532 0.80942785721892 0.11412184818644 167.259 > 9 11 Er 0.53190133816532 0.30942785721892 0.61412184818644 167.259 > 9 12 Er 0.53190133816532 0.80942785721892 0.61412184818644 167.259 > 9 13 Er 0.46809866183469 0.05942785721892 0.13587815181356 167.259 > 13 14 Er 0.46809866183469 0.55942785721892 0.13587815181356 167.259 > 13 15 Er 0.46809866183469 0.05942785721892 0.63587815181356 167.259 > 13 16 Er 0.46809866183469 0.55942785721892 0.63587815181356 167.259 > 13 17 Er 0.53190133816532 0.44057214278108 0.36412184818644 167.259 > 17 18 Er 0.53190133816532 0.94057214278108 0.36412184818644 167.259 > 17 19 Er 0.53190133816532 0.44057214278108 0.86412184818644 167.259 > 17 20 Er 0.53190133816532 0.94057214278108 0.86412184818644 167.259 > 17 21 Er 0.46809866183469 0.19057214278108 0.38587815181356 167.259 > 21 22 Er 0.46809866183469 0.69057214278108 0.38587815181356 167.259 > 21 23 Er 0.46809866183469 0.19057214278108 0.88587815181356 167.259 > 21 24 Er 0.46809866183469 0.69057214278108 0.88587815181356 167.259 > 21 25 Er 0.15221274907918 0.07198509026894 0.26112951491568 167.259 > 25 26 Er 0.15221274907918 0.57198509026894 0.26112951491568 167.259 > 25 27 Er 0.15221274907918 0.07198509026894 0.76112951491568 167.259 > 25 28 Er 0.15221274907918 0.57198509026894 0.76112951491568 167.259 > 25 29 Er 0.15221274907918 0.17801490973106 0.01112951491568 167.259 > 29 30 Er 0.15221274907918 0.67801490973106 0.01112951491568 167.259 > 29 31 Er 0.15221274907918 0.17801490973106 0.51112951491568 167.259 > 29 32 Er 0.15221274907918 0.67801490973106 0.51112951491568 167.259 > 29 33 Ge 0.79983801102616 0.05172979472162 0.49103180757511 72.640 > 33 34 Ge 0.79983801102616 0.55172979472162 0.49103180757511 72.640 > 33 35 Ge 0.79983801102616 0.05172979472162 0.99103180757511 72.640 > 33 36 Ge 0.79983801102616 0.55172979472162 0.99103180757511 72.640 > 33 37 Ge 0.79983801102616 0.19827020527838 0.24103180757511 72.640 > 37 38 Ge 0.79983801102616 0.69827020527838 0.24103180757511 72.640 > 37 39 Ge 0.79983801102616 0.19827020527838 0.74103180757511 72.640 > 37 40 Ge 0.79983801102616 0.69827020527838 0.74103180757511 72.640 > 37 41 Ge 0.20016198897384 0.30172979472162 0.25896819242489 72.640 > 41 42 Ge 0.20016198897384 0.80172979472162 0.25896819242489 72.640 > 41 43 Ge 0.20016198897384 0.30172979472162 0.75896819242489 72.640 > 41 44 Ge 0.20016198897384 0.80172979472162 0.75896819242489 72.640 > 41 45 Ge 0.20016198897384 0.44827020527838 0.00896819242489 72.640 > 45 46 Ge 0.20016198897384 0.94827020527838 0.00896819242489 72.640 > 45 47 Ge 0.20016198897384 0.44827020527838 0.50896819242489 72.640 > 45 48 Ge 0.20016198897384 0.94827020527838 0.50896819242489 72.640 > 45 49 O 0.90274049388591 0.09183726071379 0.24327976940523 15.999 > 49 50 O 0.90274049388591 0.59183726071379 0.24327976940523 15.999 > 49 51 O 0.90274049388591 0.09183726071379 0.74327976940523 15.999 > 49 52 O 0.90274049388591 0.59183726071379 0.74327976940523 15.999 > 49 53 O 0.86410358798824 0.46304555398681 0.08073990222604 15.999 > 53 54 O 0.86410358798824 0.96304555398681 0.08073990222604 15.999 > 53 55 O 0.86410358798824 0.46304555398681 0.58073990222604 15.999 > 53 56 O 0.86410358798824 0.96304555398681 0.58073990222604 15.999 > 53 57 O 0.78058162122764 0.28492199998797 0.13836394367912 15.999 > 57 58 O 0.78058162122764 0.78492199998797 0.13836394367912 15.999 > 57 59 O 0.78058162122764 0.28492199998797 0.63836394367912 15.999 > 57 60 O 0.78058162122764 0.78492199998797 0.63836394367912 15.999 > 57 61 O 0.90274049388591 0.15816273928621 0.49327976940523 15.999 > 61 62 O 0.90274049388591 0.65816273928621 0.49327976940523 15.999 > 61 63 O 0.90274049388591 0.15816273928621 0.99327976940523 15.999 > 61 64 O 0.90274049388591 0.65816273928621 0.99327976940523 15.999 > 61 65 O 0.60627513927652 0.17663432951520 0.23443483164999 15.999 > 65 66 O 0.60627513927652 0.67663432951520 0.23443483164999 15.999 > 65 67 O 0.60627513927652 0.17663432951520 0.73443483164999 15.999 > 65 68 O 0.60627513927652 0.67663432951520 0.73443483164999 15.999 > 65 69 O 0.60475446150043 0.44008205714346 0.20716824413581 15.999 > 69 70 O 0.60475446150043 0.94008205714346 0.20716824413581 15.999 > 69 71 O 0.60475446150043 0.44008205714346 0.70716824413581 15.999 > 69 72 O 0.60475446150043 0.94008205714346 0.70716824413581 15.999 > 69 73 O 0.86410358798824 0.28695444601319 0.33073990222604 15.999 > 73 74 O 0.86410358798824 0.78695444601319 0.33073990222604 15.999 > 73 75 O 0.86410358798824 0.28695444601319 0.83073990222604 15.999 > 73 76 O 0.86410358798824 0.78695444601319 0.83073990222604 15.999 > 73 77 O 0.78058162122764 0.46507800001203 0.38836394367912 15.999 > 77 78 O 0.78058162122764 0.96507800001203 0.38836394367912 15.999 > 77 79 O 0.78058162122764 0.46507800001203 0.88836394367912 15.999 > 77 80 O 0.78058162122764 0.96507800001203 0.88836394367912 15.999 > 77 81 O 0.60627513927652 0.07336567048480 0.48443483164999 15.999 > 81 82 O 0.60627513927652 0.57336567048480 0.48443483164999 15.999 > 81 83 O 0.60627513927652 0.07336567048480 0.98443483164999 15.999 > 81 84 O 0.60627513927652 0.57336567048480 0.98443483164999 15.999 > 81 85 O 0.60475446150043 0.30991794285654 0.45716824413581 15.999 > 85 86 O 0.60475446150043 0.80991794285654 0.45716824413581 15.999 > 85 87 O 0.60475446150043 0.30991794285654 0.95716824413581 15.999 > 85 88 O 0.60475446150043 0.80991794285654 0.95716824413581 15.999 > 85 89 O 0.39524553849957 0.19008205714346 0.04283175586419 15.999 > 89 90 O 0.39524553849957 0.69008205714346 0.04283175586419 15.999 > 89 91 O 0.39524553849957 0.19008205714346 0.54283175586419 15.999 > 89 92 O 0.39524553849957 0.69008205714346 0.54283175586419 15.999 > 89 93 O 0.39372486072348 0.42663432951520 0.01556516835001 15.999 > 93 94 O 0.39372486072348 0.92663432951520 0.01556516835001 15.999 > 93 95 O 0.39372486072348 0.42663432951520 0.51556516835001 15.999 > 93 96 O 0.39372486072348 0.92663432951520 0.51556516835001 15.999 > 93 97 O 0.21941837877236 0.03492199998797 0.11163605632088 15.999 > 97 98 O 0.21941837877236 0.53492199998797 0.11163605632088 15.999 > 97 99 O 0.21941837877236 0.03492199998797 0.61163605632088 15.999 > 97 100 O 0.21941837877236 0.53492199998797 0.61163605632088 15.999 > 97 101 O 0.13589641201176 0.21304555398681 0.16926009777396 15.999 > 101 102 O 0.13589641201176 0.71304555398681 0.16926009777396 15.999 > 101 103 O 0.13589641201176 0.21304555398681 0.66926009777396 15.999 > 101 104 O 0.13589641201176 0.71304555398681 0.66926009777396 15.999 > 101 105 O 0.39524553849957 0.05991794285654 0.29283175586419 15.999 > 105 106 O 0.39524553849957 0.55991794285654 0.29283175586419 15.999 > 105 107 O 0.39524553849957 0.05991794285654 0.79283175586419 15.999 > 105 108 O 0.39524553849957 0.55991794285654 0.79283175586419 15.999 > 105 109 O 0.39372486072348 0.32336567048480 0.26556516835001 15.999 > 109 110 O 0.39372486072348 0.82336567048480 0.26556516835001 15.999 > 109 111 O 0.39372486072348 0.32336567048480 0.76556516835001 15.999 > 109 112 O 0.39372486072348 0.82336567048480 0.76556516835001 15.999 > 109 113 O 0.09725950611409 0.34183726071379 0.00672023059477 15.999 > 113 114 O 0.09725950611409 0.84183726071379 0.00672023059477 15.999 > 113 115 O 0.09725950611409 0.34183726071379 0.50672023059477 15.999 > 113 116 O 0.09725950611409 0.84183726071379 0.50672023059477 15.999 > 113 117 O 0.21941837877236 0.21507800001203 0.36163605632088 15.999 > 117 118 O 0.21941837877236 0.71507800001203 0.36163605632088 15.999 > 117 119 O 0.21941837877236 0.21507800001203 0.86163605632088 15.999 > 117 120 O 0.21941837877236 0.71507800001203 0.86163605632088 15.999 > 117 121 O 0.13589641201176 0.03695444601319 0.41926009777396 15.999 > 121 122 O 0.13589641201176 0.53695444601319 0.41926009777396 15.999 > 121 123 O 0.13589641201176 0.03695444601319 0.91926009777396 15.999 > 121 124 O 0.13589641201176 0.53695444601319 0.91926009777396 15.999 > 121 125 O 0.09725950611409 0.40816273928621 0.25672023059477 15.999 > 125 126 O 0.09725950611409 0.90816273928621 0.25672023059477 15.999 > 125 127 O 0.09725950611409 0.40816273928621 0.75672023059477 15.999 > 125 128 O 0.09725950611409 0.90816273928621 0.75672023059477 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8417905 0.0000000 0.0806568 0.0000000 3.9937801 0.0000000 0.0806584 0.0000000 3.8586986 -------------------------- Born effective charges -------------------------- 1 Er 4.0478421 -0.0967742 -0.0994268 0.0128132 3.7700821 0.1652176 -0.1662640 0.0968267 3.8995658 2 Er 4.0478421 0.0967742 -0.0994268 -0.0128132 3.7700821 -0.1652176 -0.1662640 -0.0968267 3.8995658 3 Er 3.1963536 -0.0749582 0.1958358 0.1576100 3.7525529 0.2082512 0.1512719 0.2808194 3.9287365 4 Er 3.1963536 0.0749582 0.1958358 -0.1576100 3.7525529 -0.2082512 0.1512719 -0.2808194 3.9287365 5 Er 3.1963536 0.0749582 0.1958358 -0.1576100 3.7525529 -0.2082512 0.1512719 -0.2808194 3.9287365 6 Er 3.1963536 -0.0749582 0.1958358 0.1576100 3.7525529 0.2082512 0.1512719 0.2808194 3.9287365 7 Er 4.0478421 0.0967742 -0.0994268 -0.0128132 3.7700821 -0.1652176 -0.1662640 -0.0968267 3.8995658 8 Er 4.0478421 -0.0967742 -0.0994268 0.0128132 3.7700821 0.1652176 -0.1662640 0.0968267 3.8995658 9 Ge 3.3024502 0.3730089 0.2233542 0.1457373 3.6505946 0.0626764 0.3132983 0.0986508 2.9178618 10 Ge 3.3024502 -0.3730089 0.2233542 -0.1457373 3.6505946 -0.0626764 0.3132983 -0.0986508 2.9178618 11 Ge 3.3024502 -0.3730089 0.2233542 -0.1457373 3.6505946 -0.0626764 0.3132983 -0.0986508 2.9178618 12 Ge 3.3024502 0.3730089 0.2233542 0.1457373 3.6505946 0.0626764 0.3132983 0.0986508 2.9178618 13 O -2.4890208 0.4944347 -0.1407720 0.4665201 -2.7195056 0.0182762 -0.1631001 0.0136579 -1.2170031 14 O -1.3823575 0.0410978 0.0268749 -0.0137983 -2.1938385 0.1808189 0.0011294 0.3736730 -2.6545557 15 O -1.8821362 -0.0534940 0.1356102 -0.0359863 -1.9340836 0.2616733 0.0345557 0.5158787 -2.4877136 16 O -2.4890208 -0.4944347 -0.1407720 -0.4665201 -2.7195056 -0.0182762 -0.1631001 -0.0136579 -1.2170031 17 O -2.3379261 -0.2284856 -0.1485507 -0.4140441 -1.9022451 -0.0273739 -0.0097879 0.0155759 -1.9034076 18 O -2.4552051 0.2373030 -0.1929256 0.3599013 -2.4235567 -0.0774227 -0.1611034 -0.0747936 -2.4834842 19 O -1.3823575 -0.0410978 0.0268749 0.0137983 -2.1938385 -0.1808189 0.0011294 -0.3736730 -2.6545557 20 O -1.8821362 0.0534940 0.1356102 0.0359863 -1.9340836 -0.2616733 0.0345557 -0.5158787 -2.4877136 21 O -2.3379261 0.2284856 -0.1485507 0.4140441 -1.9022451 0.0273739 -0.0097879 -0.0155759 -1.9034076 22 O -2.4552051 -0.2373030 -0.1929256 -0.3599013 -2.4235567 0.0774227 -0.1611034 0.0747936 -2.4834842 23 O -2.4552051 -0.2373030 -0.1929256 -0.3599013 -2.4235567 0.0774227 -0.1611034 0.0747936 -2.4834842 24 O -2.3379261 0.2284856 -0.1485507 0.4140441 -1.9022451 0.0273739 -0.0097879 -0.0155759 -1.9034076 25 O -1.8821362 0.0534940 0.1356102 0.0359863 -1.9340836 -0.2616733 0.0345557 -0.5158787 -2.4877136 26 O -1.3823575 -0.0410978 0.0268749 0.0137983 -2.1938385 -0.1808189 0.0011294 -0.3736730 -2.6545557 27 O -2.4552051 0.2373030 -0.1929256 0.3599013 -2.4235567 -0.0774227 -0.1611034 -0.0747936 -2.4834842 28 O -2.3379261 -0.2284856 -0.1485507 -0.4140441 -1.9022451 -0.0273739 -0.0097879 0.0155759 -1.9034076 29 O -2.4890208 -0.4944347 -0.1407720 -0.4665201 -2.7195056 -0.0182762 -0.1631001 -0.0136579 -1.2170031 30 O -1.8821362 -0.0534940 0.1356102 -0.0359863 -1.9340836 0.2616733 0.0345557 0.5158787 -2.4877136 31 O -1.3823575 0.0410978 0.0268749 -0.0137983 -2.1938385 0.1808189 0.0011294 0.3736730 -2.6545557 32 O -2.4890208 0.4944347 -0.1407720 0.4665201 -2.7195056 0.0182762 -0.1631001 0.0136579 -1.2170031 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 8 ] 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: 0.56, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.907 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 12.438 ( 0.000 0.000 0.000) 0.000 12.456 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 13.067 ( 0.000 0.000 0.000) 0.000 13.398 ( 0.000 0.000 0.000) 0.000 13.568 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 14.373 ( 0.000 0.000 0.000) 0.000 14.433 ( 0.000 0.000 0.000) 0.000 14.795 ( 0.000 0.000 0.000) 0.000 15.510 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 16.166 ( 0.000 0.000 0.000) 0.000 16.891 ( 0.000 0.000 0.000) 0.000 19.549 ( 0.000 0.000 0.000) 0.000 19.698 ( 0.000 0.000 0.000) 0.000 19.806 ( 0.000 0.000 0.000) 0.000 19.820 ( 0.000 0.000 0.000) 0.000 20.813 ( 0.000 0.000 0.000) 0.000 21.381 ( 0.000 0.000 0.000) 0.000 21.422 ( 0.000 0.000 0.000) 0.000 21.549 ( 0.000 0.000 0.000) 0.000 22.465 ( 0.000 0.000 0.000) 0.000 22.635 ( 0.000 0.000 0.000) 0.000 22.851 ( 0.000 0.000 0.000) 0.000 23.294 ( 0.000 0.000 0.000) 0.000 23.814 ( 0.000 0.000 0.000) 0.000 24.230 ( 0.000 0.000 0.000) 0.000 24.523 ( 0.000 0.000 0.000) 0.000 24.595 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 13.405 0.000 -3.435) 13.838 0.659 ( 29.110 0.000 4.244) 29.417 1.052 ( 45.975 0.000 4.223) 46.169 1.836 ( -3.362 0.000 4.252) 5.420 2.053 ( -5.607 0.000 1.900) 5.920 2.402 ( -4.006 0.000 -0.385) 4.025 2.483 ( -8.600 0.000 -7.589) 11.470 2.537 ( -1.445 0.000 -1.589) 2.147 2.634 ( -0.338 0.000 0.516) 0.617 2.806 ( -0.958 0.000 7.114) 7.178 2.979 ( -0.882 0.000 -3.319) 3.434 3.200 ( -14.003 0.000 -2.941) 14.309 3.377 ( 1.118 0.000 0.566) 1.254 3.415 ( 2.677 0.000 0.837) 2.805 3.637 ( -3.584 0.000 -0.715) 3.655 3.649 ( -2.895 0.000 1.418) 3.223 3.863 ( -2.497 0.000 1.527) 2.927 3.882 ( -8.051 0.000 0.336) 8.058 4.149 ( 6.317 0.000 -3.243) 7.101 4.212 ( -3.512 0.000 -2.536) 4.332 4.348 ( 10.238 0.000 2.233) 10.478 4.481 ( -12.470 0.000 -4.190) 13.155 4.712 ( -1.578 0.000 -3.361) 3.713 4.850 ( -0.756 0.000 9.480) 9.510 4.947 ( 0.342 0.000 -0.103) 0.357 4.995 ( -2.754 0.000 1.912) 3.353 5.358 ( -6.231 0.000 1.550) 6.421 5.361 ( -9.811 0.000 1.633) 9.946 5.512 ( 3.663 0.000 -2.133) 4.239 5.533 ( 7.996 0.000 -2.788) 8.468 5.906 ( 8.779 0.000 5.112) 10.159 6.060 ( 0.062 0.000 -7.150) 7.151 6.270 ( 8.471 0.000 -2.024) 8.710 6.352 ( 0.042 0.000 3.608) 3.608 6.417 ( -0.468 0.000 1.008) 1.111 6.690 ( -0.445 0.000 -3.047) 3.079 6.761 ( -0.102 0.000 4.332) 4.333 6.833 ( -0.698 0.000 7.277) 7.311 6.898 ( -3.898 0.000 1.416) 4.147 7.032 ( -0.641 0.000 -0.494) 0.810 7.668 ( 7.085 0.000 1.592) 7.262 7.699 ( -9.999 0.000 -0.236) 10.002 8.215 ( 2.865 0.000 -16.755) 16.999 8.297 ( 9.587 0.000 -1.591) 9.718 8.376 ( -2.220 0.000 4.144) 4.701 8.502 ( -0.053 0.000 -0.494) 0.497 8.660 ( -5.522 0.000 -1.799) 5.808 8.878 ( -1.260 0.000 0.137) 1.267 9.001 ( 3.388 0.000 0.472) 3.421 9.129 ( -2.915 0.000 -6.660) 7.270 9.557 ( 2.760 0.000 -2.088) 3.461 9.581 ( 1.525 0.000 -1.379) 2.056 9.740 ( -2.612 0.000 5.258) 5.872 10.412 ( 2.313 0.000 2.510) 3.413 10.549 ( -1.294 0.000 1.410) 1.914 10.694 ( -2.096 0.000 -2.029) 2.917 10.711 ( -3.118 0.000 -6.708) 7.398 11.029 ( 11.599 0.000 0.539) 11.612 11.114 ( -3.255 0.000 -5.757) 6.614 11.474 ( 10.492 0.000 10.304) 14.706 11.493 ( -1.019 0.000 7.552) 7.621 11.689 ( 0.646 0.000 -2.323) 2.411 11.969 ( 1.978 0.000 6.040) 6.355 12.035 ( -6.044 0.000 -3.806) 7.143 12.356 ( -0.063 0.000 1.437) 1.439 12.377 ( -4.207 0.000 -6.396) 7.656 12.769 ( -2.540 0.000 3.233) 4.111 13.088 ( 1.362 0.000 2.393) 2.754 13.306 ( -7.611 0.000 -1.058) 7.684 13.436 ( 3.152 0.000 -1.013) 3.311 13.644 ( 4.244 0.000 0.365) 4.259 13.928 ( 3.092 0.000 -20.929) 21.156 13.979 ( -0.959 0.000 8.306) 8.361 14.327 ( -3.227 0.000 -1.519) 3.567 14.841 ( 3.238 0.000 1.681) 3.648 15.196 ( 0.351 0.000 4.303) 4.317 15.521 ( 0.928 0.000 0.017) 0.928 16.148 ( -1.349 0.000 -0.504) 1.440 16.214 ( -4.702 0.000 24.095) 24.550 16.893 ( 0.227 0.000 -0.218) 0.315 19.539 ( -0.983 0.000 0.905) 1.336 19.818 ( 0.506 0.000 3.300) 3.339 19.826 ( 0.585 0.000 -0.725) 0.932 19.930 ( 4.941 0.000 -39.065) 39.377 21.370 ( -0.826 0.000 0.264) 0.867 21.432 ( 0.644 0.000 -0.144) 0.660 21.560 ( 0.874 0.000 0.416) 0.968 21.829 ( -3.810 0.000 22.875) 23.191 22.468 ( 0.220 0.000 0.068) 0.230 22.873 ( 1.720 0.000 0.808) 1.900 23.286 ( -0.538 0.000 -0.478) 0.720 23.335 ( -2.552 0.000 3.305) 4.176 23.831 ( 1.275 0.000 0.828) 1.520 24.217 ( -0.958 0.000 -0.519) 1.090 24.532 ( 0.820 0.000 -0.675) 1.063 24.618 ( -1.586 0.000 6.760) 6.944 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 5.754 0.000 -1.368) 5.914 1.272 ( 25.140 0.000 2.423) 25.257 1.712 ( 2.181 0.000 -5.684) 6.088 1.811 ( -17.029 0.000 0.331) 17.033 2.045 ( 30.629 0.000 13.723) 33.563 2.320 ( -2.291 0.000 0.124) 2.295 2.341 ( -2.356 0.000 -4.469) 5.052 2.511 ( 0.015 0.000 3.043) 3.043 2.624 ( -0.473 0.000 0.187) 0.509 2.778 ( -1.855 0.000 5.470) 5.776 2.795 ( -16.711 0.000 -9.861) 19.404 2.929 ( -7.330 0.000 -3.041) 7.936 3.402 ( 0.558 0.000 0.933) 1.087 3.441 ( -0.375 0.000 -0.218) 0.434 3.585 ( -1.134 0.000 0.519) 1.247 3.588 ( -1.380 0.000 2.072) 2.489 3.708 ( -5.890 0.000 -0.393) 5.903 3.898 ( 2.536 0.000 2.250) 3.391 4.153 ( -0.375 0.000 -4.248) 4.265 4.243 ( -6.838 0.000 0.481) 6.855 4.270 ( 5.956 0.000 -2.444) 6.438 4.390 ( -4.062 0.000 -2.583) 4.813 4.771 ( 5.983 0.000 0.379) 5.995 4.875 ( 0.467 0.000 2.381) 2.427 4.940 ( -1.793 0.000 0.439) 1.846 4.948 ( -0.146 0.000 0.299) 0.333 5.114 ( -10.285 0.000 0.920) 10.326 5.204 ( -4.377 0.000 -1.437) 4.607 5.631 ( 4.520 0.000 0.369) 4.535 5.683 ( 3.855 0.000 1.151) 4.024 6.021 ( -1.515 0.000 -2.549) 2.965 6.092 ( 5.105 0.000 2.923) 5.882 6.364 ( 0.056 0.000 1.849) 1.850 6.421 ( 0.356 0.000 1.054) 1.112 6.488 ( 11.600 0.000 -2.532) 11.873 6.678 ( -1.840 0.000 -1.987) 2.708 6.771 ( -6.334 0.000 2.581) 6.840 6.772 ( 0.487 0.000 0.827) 0.959 6.853 ( 0.656 0.000 -0.009) 0.656 6.980 ( -2.981 0.000 -1.302) 3.253 7.533 ( -4.218 0.000 -0.063) 4.218 7.812 ( 4.260 0.000 0.747) 4.325 8.220 ( 0.653 0.000 -5.087) 5.129 8.344 ( -1.285 0.000 2.519) 2.828 8.444 ( 3.529 0.000 -3.662) 5.086 8.497 ( -0.201 0.000 -0.119) 0.234 8.596 ( -0.208 0.000 3.355) 3.362 8.810 ( -3.214 0.000 -1.315) 3.472 9.055 ( -1.936 0.000 -1.418) 2.400 9.073 ( 2.204 0.000 -0.217) 2.214 9.585 ( 0.875 0.000 -1.991) 2.175 9.623 ( 1.256 0.000 0.869) 1.528 9.713 ( -1.054 0.000 3.411) 3.570 10.485 ( 3.092 0.000 2.432) 3.934 10.526 ( -0.862 0.000 0.881) 1.233 10.611 ( -3.643 0.000 -3.789) 5.256 10.659 ( -0.543 0.000 -1.077) 1.206 11.049 ( -1.433 0.000 -2.039) 2.492 11.305 ( 11.920 0.000 -5.186) 13.000 11.458 ( -4.043 0.000 7.476) 8.499 11.704 ( 6.247 0.000 5.512) 8.331 11.766 ( 4.639 0.000 1.080) 4.763 11.875 ( -5.252 0.000 6.010) 7.982 11.960 ( -4.535 0.000 -4.896) 6.674 12.283 ( -1.306 0.000 -4.590) 4.772 12.354 ( 0.027 0.000 -2.523) 2.523 12.715 ( -2.424 0.000 2.652) 3.593 13.123 ( 0.856 0.000 1.328) 1.580 13.168 ( -3.389 0.000 -2.629) 4.290 13.496 ( 1.906 0.000 -0.690) 2.027 13.717 ( 2.124 0.000 -1.023) 2.358 13.934 ( 1.410 0.000 -7.003) 7.144 13.973 ( -1.442 0.000 6.427) 6.587 14.261 ( -1.836 0.000 -0.600) 1.932 14.907 ( 1.786 0.000 0.811) 1.961 15.215 ( 0.461 0.000 0.802) 0.925 15.541 ( 0.637 0.000 0.031) 0.638 16.118 ( -0.915 0.000 -0.328) 0.972 16.188 ( -1.619 0.000 5.654) 5.882 16.897 ( 0.152 0.000 -0.135) 0.203 19.522 ( -0.576 0.000 0.527) 0.780 19.835 ( 0.331 0.000 -0.415) 0.531 19.841 ( 0.345 0.000 3.938) 3.953 19.911 ( 1.055 0.000 -12.451) 12.495 21.356 ( -0.387 0.000 0.127) 0.408 21.443 ( 0.274 0.000 -0.054) 0.279 21.580 ( 0.613 0.000 0.249) 0.661 21.818 ( -1.143 0.000 5.201) 5.325 22.473 ( 0.143 0.000 0.044) 0.150 22.915 ( 1.365 0.000 0.557) 1.475 23.274 ( -0.324 0.000 -0.284) 0.431 23.288 ( -1.666 0.000 0.587) 1.766 23.860 ( 0.862 0.000 0.549) 1.023 24.195 ( -0.682 0.000 -0.372) 0.777 24.550 ( 0.792 0.000 -0.771) 1.105 24.603 ( -0.927 0.000 2.181) 2.370 ======================= Grid point 5 (4/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 28.923 0.000) 28.923 0.617 ( 0.000 29.279 0.000) 29.279 1.256 ( 0.000 57.335 0.000) 57.335 1.949 ( 0.000 6.647 0.000) 6.647 2.281 ( 0.000 12.468 0.000) 12.468 2.462 ( 0.000 -1.973 0.000) 1.973 2.570 ( 0.000 2.789 0.000) 2.789 2.611 ( 0.000 3.915 0.000) 3.915 2.812 ( 0.000 8.610 0.000) 8.610 2.837 ( 0.000 8.580 0.000) 8.580 3.002 ( 0.000 1.280 0.000) 1.280 3.191 ( 0.000 -3.347 0.000) 3.347 3.425 ( 0.000 -1.445 0.000) 1.445 3.557 ( 0.000 7.899 0.000) 7.899 3.559 ( 0.000 -12.231 0.000) 12.231 3.743 ( 0.000 3.263 0.000) 3.263 3.926 ( 0.000 -3.236 0.000) 3.236 4.004 ( 0.000 2.063 0.000) 2.063 4.018 ( 0.000 -1.056 0.000) 1.056 4.150 ( 0.000 4.036 0.000) 4.036 4.428 ( 0.000 12.811 0.000) 12.811 4.468 ( 0.000 -6.604 0.000) 6.604 4.685 ( 0.000 -5.925 0.000) 5.925 4.874 ( 0.000 1.215 0.000) 1.215 4.932 ( 0.000 -8.182 0.000) 8.182 5.032 ( 0.000 9.852 0.000) 9.852 5.067 ( 0.000 -12.278 0.000) 12.278 5.338 ( 0.000 3.174 0.000) 3.174 5.501 ( 0.000 -3.244 0.000) 3.244 5.532 ( 0.000 3.295 0.000) 3.295 5.856 ( 0.000 -5.839 0.000) 5.839 5.900 ( 0.000 10.540 0.000) 10.540 6.124 ( 0.000 -3.784 0.000) 3.784 6.353 ( 0.000 -1.009 0.000) 1.009 6.389 ( 0.000 -3.093 0.000) 3.093 6.520 ( 0.000 -1.529 0.000) 1.529 6.707 ( 0.000 -3.924 0.000) 3.924 6.951 ( 0.000 -2.758 0.000) 2.758 7.068 ( 0.000 4.988 0.000) 4.988 7.449 ( 0.000 -2.962 0.000) 2.962 7.614 ( 0.000 3.761 0.000) 3.761 7.823 ( 0.000 -2.555 0.000) 2.555 8.137 ( 0.000 1.859 0.000) 1.859 8.210 ( 0.000 -2.554 0.000) 2.554 8.433 ( 0.000 3.128 0.000) 3.128 8.462 ( 0.000 -2.990 0.000) 2.990 8.713 ( 0.000 -5.473 0.000) 5.473 8.823 ( 0.000 -2.056 0.000) 2.056 9.013 ( 0.000 1.032 0.000) 1.032 9.204 ( 0.000 4.234 0.000) 4.234 9.526 ( 0.000 1.424 0.000) 1.424 9.598 ( 0.000 3.445 0.000) 3.445 9.780 ( 0.000 0.927 0.000) 0.927 10.573 ( 0.000 0.138 0.000) 0.138 10.723 ( 0.000 -2.365 0.000) 2.365 10.742 ( 0.000 0.709 0.000) 0.709 10.771 ( 0.000 1.621 0.000) 1.621 10.894 ( 0.000 0.477 0.000) 0.477 11.216 ( 0.000 0.048 0.000) 0.048 11.238 ( 0.000 -5.493 0.000) 5.493 11.480 ( 0.000 0.401 0.000) 0.401 11.490 ( 0.000 -6.089 0.000) 6.089 11.809 ( 0.000 -7.934 0.000) 7.934 12.074 ( 0.000 -3.134 0.000) 3.134 12.401 ( 0.000 -1.083 0.000) 1.083 12.407 ( 0.000 -0.174 0.000) 0.174 12.560 ( 0.000 6.195 0.000) 6.195 12.791 ( 0.000 -0.808 0.000) 0.808 13.331 ( 0.000 -5.075 0.000) 5.075 13.412 ( 0.000 -10.688 0.000) 10.688 13.845 ( 0.000 -1.279 0.000) 1.279 13.912 ( 0.000 -2.413 0.000) 2.413 14.062 ( 0.000 -5.674 0.000) 5.674 14.318 ( 0.000 12.365 0.000) 12.365 14.873 ( 0.000 21.488 0.000) 21.488 15.463 ( 0.000 -3.048 0.000) 3.048 15.709 ( 0.000 -0.456 0.000) 0.456 15.712 ( 0.000 -2.006 0.000) 2.006 16.306 ( 0.000 4.998 0.000) 4.998 16.863 ( 0.000 -2.674 0.000) 2.674 19.563 ( 0.000 -4.196 0.000) 4.196 19.644 ( 0.000 -3.625 0.000) 3.625 19.906 ( 0.000 6.671 0.000) 6.671 19.908 ( 0.000 7.403 0.000) 7.403 20.803 ( 0.000 -1.059 0.000) 1.059 21.310 ( 0.000 -8.939 0.000) 8.939 21.391 ( 0.000 0.986 0.000) 0.986 21.586 ( 0.000 1.609 0.000) 1.609 22.558 ( 0.000 -6.201 0.000) 6.201 22.773 ( 0.000 -6.520 0.000) 6.520 23.340 ( 0.000 4.032 0.000) 4.032 23.478 ( 0.000 4.070 0.000) 4.070 24.203 ( 0.000 -1.999 0.000) 1.999 24.413 ( 0.000 -7.915 0.000) 7.915 24.700 ( 0.000 8.776 0.000) 8.776 24.988 ( 0.000 7.266 0.000) 7.266 ======================= Grid point 6 (5/84) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 14.259 17.969 -3.742) 23.242 0.698 ( 8.689 22.435 5.647) 24.713 1.705 ( 28.223 41.991 0.615) 50.597 1.912 ( -2.996 6.948 3.401) 8.296 2.229 ( -5.670 12.707 1.272) 13.973 2.429 ( -2.500 1.388 2.265) 3.648 2.492 ( -6.091 2.348 -3.306) 7.317 2.575 ( -1.414 4.014 -2.267) 4.822 2.750 ( -1.859 9.176 -0.193) 9.365 2.825 ( -5.075 1.562 4.917) 7.237 3.025 ( 2.391 4.917 -3.730) 6.619 3.148 ( -6.228 -3.500 -3.230) 7.840 3.390 ( -3.359 6.368 0.888) 7.254 3.508 ( -1.877 -6.007 -0.108) 6.294 3.572 ( 0.509 2.495 0.886) 2.696 3.682 ( -2.774 2.109 2.474) 4.274 3.817 ( -4.821 -1.102 0.455) 4.966 3.931 ( -4.041 1.450 0.620) 4.338 4.022 ( -0.980 -7.116 -1.664) 7.373 4.171 ( -2.977 -2.293 -5.792) 6.904 4.478 ( -0.208 -1.523 -2.562) 2.988 4.539 ( 7.182 10.946 6.503) 14.618 4.651 ( -3.768 -3.237 -0.711) 5.018 4.818 ( -3.473 -0.031 -3.030) 4.609 4.889 ( 0.452 -1.323 -0.005) 1.398 5.071 ( -0.656 3.107 2.062) 3.786 5.195 ( 5.929 -10.832 3.370) 12.800 5.349 ( -6.981 -2.920 1.533) 7.720 5.454 ( 0.320 1.726 1.167) 2.108 5.548 ( 4.372 -0.118 0.603) 4.415 5.879 ( 1.590 -7.886 -0.274) 8.049 5.996 ( 6.787 5.769 2.697) 9.306 6.202 ( 7.130 -4.948 -3.234) 9.262 6.364 ( 0.697 -1.614 3.001) 3.478 6.382 ( -0.198 -2.730 -0.410) 2.768 6.593 ( 5.350 -3.302 -2.298) 6.694 6.727 ( 0.511 -3.947 1.871) 4.398 6.910 ( -9.926 4.267 -5.451) 12.102 6.946 ( -0.947 -0.366 -1.412) 1.739 7.216 ( -11.232 6.948 7.267) 15.075 7.677 ( 3.110 2.676 -0.895) 4.199 7.747 ( -5.147 1.355 2.280) 5.790 8.140 ( 0.419 -5.645 -8.881) 10.532 8.329 ( 7.580 1.420 -2.496) 8.106 8.412 ( -1.124 2.258 5.826) 6.349 8.460 ( 0.524 -1.005 -4.035) 4.191 8.613 ( -3.527 -4.484 -3.464) 6.674 8.889 ( 1.223 -0.765 -0.179) 1.453 9.017 ( 1.041 0.932 1.281) 1.896 9.145 ( -4.238 2.003 -1.672) 4.976 9.574 ( 2.949 2.354 3.227) 4.965 9.607 ( 0.987 3.250 -3.413) 4.815 9.778 ( -0.619 2.481 3.171) 4.073 10.477 ( -5.272 0.247 2.009) 5.647 10.573 ( -4.063 2.172 0.066) 4.608 10.712 ( -1.577 3.376 -2.677) 4.588 10.787 ( -0.818 4.523 -5.845) 7.436 10.977 ( 5.950 -3.348 -0.303) 6.834 11.149 ( -0.425 1.924 -3.715) 4.205 11.394 ( -0.081 -7.708 7.232) 10.570 11.438 ( 9.045 -4.575 8.664) 13.334 11.625 ( 4.234 -2.798 0.844) 5.145 11.870 ( 3.969 -8.431 2.638) 9.684 12.012 ( -5.153 -2.494 -3.095) 6.508 12.286 ( -5.135 -3.851 -3.139) 7.145 12.423 ( -5.241 0.072 0.833) 5.308 12.728 ( 9.636 -9.006 1.799) 13.311 12.800 ( -0.174 1.728 0.846) 1.931 13.275 ( -3.829 -4.592 -2.699) 6.560 13.437 ( 2.719 -2.491 -0.722) 3.757 13.783 ( -2.256 -3.845 -6.559) 7.930 13.860 ( -0.805 -7.177 -7.283) 10.257 14.009 ( -1.977 13.821 11.056) 17.809 14.620 ( 12.799 -2.925 0.538) 13.140 14.822 ( -3.195 24.583 -3.971) 25.106 15.430 ( -5.845 10.482 1.012) 12.044 15.486 ( 2.054 -1.656 -1.945) 3.278 15.934 ( 2.113 -14.703 10.306) 18.079 16.247 ( -3.828 5.908 0.844) 7.090 16.937 ( 2.731 -0.055 3.306) 4.288 19.518 ( -1.861 -1.642 2.095) 3.248 19.702 ( 2.585 -7.857 -7.220) 10.979 19.900 ( 0.611 6.592 1.991) 6.913 19.978 ( 3.891 4.411 -14.257) 15.423 21.088 ( 12.473 -22.470 13.257) 28.918 21.301 ( -0.503 -8.886 -0.883) 8.944 21.431 ( 3.122 -0.563 3.255) 4.545 21.589 ( 0.256 1.295 -0.327) 1.360 22.532 ( -1.466 -3.050 -0.853) 3.490 22.832 ( 4.238 -11.152 1.218) 11.993 23.334 ( -0.597 4.988 -0.413) 5.040 23.433 ( -4.183 7.038 -0.087) 8.188 24.082 ( -9.116 3.906 -5.651) 11.415 24.336 ( -4.431 0.780 4.506) 6.368 24.688 ( -0.940 11.256 -3.279) 11.762 24.728 ( -7.732 15.994 4.944) 18.440 ======================= Grid point 7 (6/84) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 3.813 21.817 -1.113) 22.176 1.237 ( 27.654 0.404 3.833) 27.921 1.802 ( -11.358 3.898 1.346) 12.083 1.888 ( -10.378 8.376 -3.725) 13.847 2.340 ( 11.377 12.754 -0.718) 17.106 2.395 ( -1.190 6.401 1.979) 6.805 2.426 ( 2.672 11.026 -0.005) 11.345 2.581 ( 3.981 8.749 3.812) 10.340 2.709 ( 0.156 3.988 2.055) 4.489 2.752 ( -0.961 7.187 1.861) 7.486 2.943 ( -6.323 0.060 -3.355) 7.159 2.987 ( -7.600 13.903 -5.840) 16.887 3.356 ( -0.282 4.796 0.128) 4.806 3.534 ( 1.512 -2.050 2.272) 3.414 3.572 ( 0.106 -0.867 1.482) 1.720 3.621 ( -3.578 6.120 0.603) 7.115 3.700 ( -3.133 -1.154 0.470) 3.371 3.840 ( -4.510 -3.306 -2.034) 5.951 3.999 ( 0.637 -8.545 0.602) 8.590 4.093 ( -2.591 -6.765 -2.850) 7.785 4.476 ( 1.196 10.108 0.407) 10.187 4.582 ( -0.356 -1.830 -2.719) 3.297 4.624 ( -2.450 2.376 1.477) 3.719 4.789 ( 4.212 -0.129 -2.936) 5.136 4.942 ( 2.396 1.727 -0.001) 2.953 4.995 ( -5.343 -2.244 2.077) 6.156 5.137 ( -7.324 0.402 1.666) 7.522 5.288 ( 0.244 6.925 0.328) 6.937 5.502 ( 3.205 -7.864 0.604) 8.514 5.667 ( 3.391 -1.899 1.941) 4.344 5.895 ( -0.089 -9.291 -0.438) 9.302 6.137 ( 4.101 1.640 2.407) 5.030 6.321 ( 2.454 -2.941 -2.942) 4.829 6.370 ( -0.377 -4.005 1.301) 4.227 6.458 ( 6.136 -6.392 1.283) 8.953 6.645 ( -1.439 -1.232 -3.265) 3.775 6.708 ( 0.772 -2.042 -0.751) 2.309 6.807 ( -0.085 1.665 0.075) 1.669 6.906 ( -2.039 1.803 0.511) 2.769 7.038 ( -6.339 3.127 1.137) 7.159 7.585 ( -3.860 4.688 -0.500) 6.093 7.804 ( 2.897 -0.732 0.651) 3.058 8.140 ( 0.870 -7.182 -3.238) 7.926 8.354 ( -1.416 0.904 2.760) 3.231 8.432 ( -0.195 -2.490 -2.030) 3.219 8.453 ( 0.151 1.152 -1.412) 1.829 8.664 ( 7.168 1.571 -0.153) 7.340 8.823 ( -5.948 1.508 -0.320) 6.144 9.056 ( -1.090 -0.388 -1.053) 1.564 9.069 ( 0.548 -0.049 0.671) 0.868 9.615 ( 0.287 2.713 -0.628) 2.799 9.632 ( 1.327 2.338 1.163) 2.930 9.783 ( 0.206 5.940 1.816) 6.215 10.426 ( -1.029 -4.908 1.416) 5.211 10.524 ( -0.768 1.043 0.061) 1.297 10.664 ( -1.495 0.453 -1.318) 2.044 10.747 ( -0.690 9.945 -1.854) 10.140 11.038 ( 0.128 -0.925 -2.556) 2.721 11.231 ( 5.145 -7.703 -1.355) 9.362 11.392 ( 0.514 -3.957 4.114) 5.731 11.660 ( 4.041 -3.896 5.119) 7.597 11.737 ( 6.301 -2.790 2.598) 7.364 11.879 ( -4.061 -0.523 5.216) 6.632 11.933 ( -1.560 -2.760 -4.630) 5.612 12.162 ( -1.376 -9.136 -5.877) 10.950 12.311 ( -4.823 -5.736 0.354) 7.502 12.779 ( -0.885 5.220 0.726) 5.344 12.869 ( 2.829 -9.528 0.554) 9.954 13.198 ( -1.897 -0.119 -1.869) 2.666 13.490 ( 1.612 -0.843 -0.436) 1.871 13.738 ( -0.665 -7.938 -2.205) 8.265 13.857 ( 1.353 -8.427 -4.693) 9.740 13.995 ( -1.731 15.261 6.862) 16.823 14.739 ( -0.827 29.969 -3.853) 30.227 14.806 ( 2.876 -4.723 1.748) 5.799 15.393 ( 0.012 11.321 1.555) 11.427 15.525 ( 1.355 -1.013 -0.777) 1.862 15.957 ( -0.573 -16.270 3.186) 16.589 16.179 ( -1.961 5.389 -0.065) 5.735 16.977 ( 0.597 3.578 1.145) 3.804 19.495 ( -0.673 -1.824 0.716) 2.072 19.719 ( 0.611 -7.449 -2.069) 7.755 19.923 ( 0.560 6.708 2.138) 7.063 19.988 ( 0.712 4.768 -6.587) 8.162 21.254 ( 2.068 -14.450 4.082) 15.157 21.289 ( -0.129 -14.218 -1.744) 14.325 21.515 ( 2.284 -5.230 3.364) 6.625 21.591 ( 0.044 0.393 -0.854) 0.941 22.508 ( -0.493 -1.131 -0.396) 1.296 22.928 ( 3.290 -18.649 0.820) 18.955 23.289 ( -3.375 16.339 -0.491) 16.691 23.354 ( -1.200 4.308 -0.158) 4.475 23.942 ( -2.371 5.627 -1.048) 6.195 24.292 ( -1.020 2.583 1.398) 3.109 24.660 ( 0.085 11.179 -1.655) 11.301 24.679 ( -1.168 8.334 2.074) 8.667 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 25.628 0.000) 25.628 1.231 ( 0.000 28.962 0.000) 28.962 2.095 ( 0.000 4.797 0.000) 4.797 2.267 ( 0.000 29.565 0.000) 29.565 2.400 ( 0.000 -2.408 0.000) 2.408 2.434 ( 0.000 2.726 0.000) 2.726 2.688 ( 0.000 6.622 0.000) 6.622 2.769 ( 0.000 15.456 0.000) 15.456 2.969 ( 0.000 -4.151 0.000) 4.151 3.034 ( 0.000 12.263 0.000) 12.263 3.070 ( 0.000 7.963 0.000) 7.963 3.228 ( 0.000 9.472 0.000) 9.472 3.329 ( 0.000 -5.380 0.000) 5.380 3.449 ( 0.000 2.412 0.000) 2.412 3.576 ( 0.000 -4.543 0.000) 4.543 3.667 ( 0.000 -8.462 0.000) 8.462 3.905 ( 0.000 -7.474 0.000) 7.474 4.030 ( 0.000 9.286 0.000) 9.286 4.165 ( 0.000 2.635 0.000) 2.635 4.251 ( 0.000 7.889 0.000) 7.889 4.339 ( 0.000 0.691 0.000) 0.691 4.550 ( 0.000 -5.507 0.000) 5.507 4.695 ( 0.000 -13.361 0.000) 13.361 4.733 ( 0.000 14.897 0.000) 14.897 4.840 ( 0.000 -8.242 0.000) 8.242 4.912 ( 0.000 0.883 0.000) 0.883 5.280 ( 0.000 10.216 0.000) 10.216 5.333 ( 0.000 -4.665 0.000) 4.665 5.536 ( 0.000 9.660 0.000) 9.660 5.545 ( 0.000 -1.768 0.000) 1.768 5.689 ( 0.000 -9.993 0.000) 9.993 6.035 ( 0.000 -4.035 0.000) 4.035 6.169 ( 0.000 13.952 0.000) 13.952 6.296 ( 0.000 -2.870 0.000) 2.870 6.314 ( 0.000 -3.455 0.000) 3.455 6.511 ( 0.000 -0.362 0.000) 0.362 6.590 ( 0.000 -6.457 0.000) 6.457 6.839 ( 0.000 -6.942 0.000) 6.942 7.094 ( 0.000 -4.415 0.000) 4.415 7.317 ( 0.000 -10.110 0.000) 10.110 7.717 ( 0.000 5.687 0.000) 5.687 7.826 ( 0.000 3.041 0.000) 3.041 8.174 ( 0.000 1.617 0.000) 1.617 8.175 ( 0.000 -0.068 0.000) 0.068 8.407 ( 0.000 -1.965 0.000) 1.965 8.498 ( 0.000 1.386 0.000) 1.386 8.595 ( 0.000 -3.922 0.000) 3.922 8.755 ( 0.000 -3.915 0.000) 3.915 9.027 ( 0.000 0.168 0.000) 0.168 9.228 ( 0.000 -2.836 0.000) 2.836 9.592 ( 0.000 4.789 0.000) 4.789 9.753 ( 0.000 9.693 0.000) 9.693 9.804 ( 0.000 3.079 0.000) 3.079 10.541 ( 0.000 -3.664 0.000) 3.664 10.688 ( 0.000 -0.700 0.000) 0.700 10.728 ( 0.000 -2.050 0.000) 2.050 10.823 ( 0.000 2.368 0.000) 2.368 10.903 ( 0.000 0.679 0.000) 0.679 11.090 ( 0.000 -7.457 0.000) 7.457 11.234 ( 0.000 2.087 0.000) 2.087 11.327 ( 0.000 -8.644 0.000) 8.644 11.507 ( 0.000 1.884 0.000) 1.884 11.637 ( 0.000 -7.142 0.000) 7.142 11.965 ( 0.000 -7.167 0.000) 7.167 12.397 ( 0.000 0.849 0.000) 0.849 12.425 ( 0.000 2.014 0.000) 2.014 12.657 ( 0.000 1.987 0.000) 1.987 12.724 ( 0.000 -5.608 0.000) 5.608 13.235 ( 0.000 -3.100 0.000) 3.100 13.247 ( 0.000 -4.120 0.000) 4.120 13.737 ( 0.000 -3.753 0.000) 3.753 13.863 ( 0.000 -2.600 0.000) 2.600 14.152 ( 0.000 8.123 0.000) 8.123 14.495 ( 0.000 3.195 0.000) 3.195 15.258 ( 0.000 14.574 0.000) 14.574 15.449 ( 0.000 2.518 0.000) 2.518 15.663 ( 0.000 -2.316 0.000) 2.316 15.696 ( 0.000 -0.688 0.000) 0.688 16.419 ( 0.000 5.335 0.000) 5.335 16.780 ( 0.000 -5.212 0.000) 5.212 19.494 ( 0.000 -2.153 0.000) 2.153 19.569 ( 0.000 -3.449 0.000) 3.449 20.069 ( 0.000 8.429 0.000) 8.429 20.072 ( 0.000 7.806 0.000) 7.806 20.765 ( 0.000 -2.404 0.000) 2.404 21.089 ( 0.000 -11.587 0.000) 11.587 21.426 ( 0.000 2.381 0.000) 2.381 21.593 ( 0.000 -0.961 0.000) 0.961 22.436 ( 0.000 -4.337 0.000) 4.337 22.618 ( 0.000 -7.615 0.000) 7.615 23.442 ( 0.000 5.228 0.000) 5.228 23.560 ( 0.000 3.146 0.000) 3.146 24.163 ( 0.000 -1.644 0.000) 1.644 24.257 ( 0.000 -6.301 0.000) 6.301 24.905 ( 0.000 9.726 0.000) 9.726 25.117 ( 0.000 4.361 0.000) 4.361 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -1.626 25.244 0.487) 25.301 1.228 ( 3.339 24.743 -0.551) 24.973 2.066 ( -3.038 5.681 1.076) 6.532 2.267 ( -8.138 3.211 -2.342) 9.057 2.421 ( 2.115 0.463 -1.553) 2.665 2.442 ( -0.081 1.539 2.301) 2.769 2.648 ( -2.189 8.739 -1.270) 9.098 2.798 ( -4.637 8.317 -0.392) 9.530 2.865 ( 5.692 19.242 -0.515) 20.073 2.970 ( -3.979 7.504 1.484) 8.622 3.114 ( 0.492 9.734 -1.729) 9.899 3.258 ( 0.562 10.000 -3.065) 10.474 3.370 ( 4.270 -1.994 2.558) 5.362 3.454 ( 1.627 -4.322 1.542) 4.869 3.553 ( -2.267 -2.222 1.105) 3.361 3.711 ( 2.611 -7.093 0.302) 7.564 3.828 ( -7.908 -6.534 1.500) 10.367 3.906 ( -9.091 13.467 -1.447) 16.313 4.027 ( -3.872 6.678 -1.458) 7.856 4.151 ( -3.168 -0.227 -5.200) 6.094 4.450 ( 0.829 0.531 3.529) 3.664 4.616 ( 5.207 -1.355 -2.957) 6.139 4.675 ( -1.810 -2.317 2.523) 3.875 4.761 ( 1.063 -2.769 6.994) 7.597 4.939 ( 2.447 2.482 -2.292) 4.172 5.046 ( 11.712 2.045 3.816) 12.487 5.223 ( -6.416 5.614 -0.938) 8.577 5.272 ( -3.069 -1.608 -1.076) 3.628 5.478 ( 0.036 -0.751 2.568) 2.675 5.577 ( 0.454 4.222 2.420) 4.887 5.699 ( 0.277 -8.328 -1.926) 8.552 6.061 ( 2.296 -5.344 -2.487) 6.326 6.188 ( 2.013 7.985 0.505) 8.251 6.295 ( -1.005 -2.971 4.359) 5.370 6.314 ( 0.577 -3.118 -3.034) 4.389 6.587 ( 6.403 1.450 -2.459) 7.011 6.606 ( 0.194 -6.920 0.248) 6.927 6.822 ( -0.992 -6.906 -1.386) 7.114 6.981 ( -7.493 -2.587 -3.424) 8.635 7.217 ( -7.761 -6.126 3.451) 10.472 7.751 ( 2.622 3.334 -0.198) 4.246 7.789 ( -3.805 3.670 -0.087) 5.287 8.052 ( -3.149 -1.081 -2.213) 3.997 8.339 ( 4.776 -1.408 -2.367) 5.514 8.398 ( -1.342 -1.513 1.260) 2.383 8.501 ( 2.068 0.635 0.906) 2.345 8.539 ( -0.467 0.661 -2.298) 2.437 8.826 ( 3.342 -4.726 -1.580) 6.000 9.026 ( -0.461 0.043 2.141) 2.190 9.163 ( -4.806 -1.326 -0.120) 4.987 9.640 ( 3.626 3.520 -3.588) 6.198 9.741 ( -1.662 6.615 5.573) 8.808 9.846 ( 3.749 6.444 -0.130) 7.457 10.424 ( -6.887 -3.883 2.204) 8.208 10.612 ( -3.991 1.477 -0.929) 4.356 10.765 ( -2.549 -0.975 -2.669) 3.817 10.843 ( 5.166 1.494 -2.671) 6.005 10.943 ( 2.344 0.768 -1.097) 2.700 11.172 ( -1.138 0.078 -2.387) 2.645 11.237 ( 2.291 -5.873 5.060) 8.083 11.336 ( 8.212 -3.645 7.588) 11.761 11.600 ( 0.940 -0.732 2.427) 2.703 11.666 ( 5.829 -9.390 2.296) 11.288 11.913 ( -3.500 -6.910 -4.452) 8.934 12.220 ( -9.533 -2.033 -2.586) 10.084 12.367 ( -10.769 -4.368 1.317) 11.696 12.680 ( 7.785 1.669 1.334) 8.073 12.856 ( 4.030 2.249 -0.674) 4.664 13.212 ( -0.566 -1.069 -1.003) 1.571 13.340 ( 6.070 -5.480 -0.501) 8.193 13.697 ( -2.182 -4.976 -2.610) 6.028 13.751 ( -5.509 -0.910 -6.194) 8.339 14.248 ( 2.780 8.900 7.332) 11.862 14.581 ( 7.091 -1.258 0.062) 7.202 15.294 ( 2.229 17.216 -2.814) 17.587 15.433 ( -1.353 -0.378 3.512) 3.782 15.622 ( 0.052 6.089 -3.417) 6.982 15.702 ( -1.339 -7.048 2.263) 7.523 16.388 ( -2.384 6.979 -0.335) 7.382 16.867 ( 5.438 -6.019 2.994) 8.647 19.482 ( -1.110 -1.455 1.606) 2.435 19.572 ( 0.537 -4.554 -2.043) 5.020 20.061 ( 0.097 8.232 2.606) 8.635 20.103 ( 1.855 6.913 -5.285) 8.898 20.821 ( 3.790 -6.952 3.464) 8.643 21.082 ( -0.558 -11.627 -0.864) 11.673 21.446 ( 1.520 1.583 1.303) 2.553 21.592 ( -0.051 -1.047 -0.730) 1.277 22.439 ( 0.437 -4.382 -0.686) 4.457 22.603 ( -1.336 -9.170 0.424) 9.276 23.440 ( -0.051 5.171 -0.478) 5.193 23.553 ( -0.778 3.863 0.113) 3.942 24.108 ( -3.561 0.231 -3.147) 4.758 24.258 ( -0.505 -5.088 2.792) 5.826 24.900 ( -0.432 9.864 0.599) 9.892 25.029 ( -5.828 9.231 -0.574) 10.932 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 3.606 22.538 -2.790) 22.995 1.345 ( 17.143 9.831 5.257) 20.449 1.844 ( -20.291 -0.367 -0.936) 20.315 2.066 ( -2.689 7.040 -1.885) 7.768 2.411 ( -0.316 -0.021 -3.136) 3.152 2.513 ( 3.757 0.204 4.382) 5.775 2.586 ( -2.627 3.892 -0.940) 4.789 2.657 ( -3.153 5.228 1.125) 6.208 2.765 ( -8.873 -3.646 -3.775) 10.309 3.074 ( 1.697 13.163 0.573) 13.285 3.167 ( 4.381 17.989 -0.500) 18.521 3.313 ( 3.973 13.025 -2.322) 13.814 3.493 ( -2.488 -1.263 2.516) 3.757 3.505 ( 1.711 -3.350 0.158) 3.765 3.528 ( 7.641 4.075 4.563) 9.788 3.663 ( -2.046 -2.103 1.979) 3.539 3.763 ( -0.591 14.387 2.513) 14.617 3.789 ( 0.119 -3.959 -6.476) 7.591 3.963 ( -1.551 6.770 -1.333) 7.072 4.005 ( -9.939 4.342 -1.318) 10.926 4.433 ( -1.827 -2.538 2.319) 3.893 4.621 ( -2.019 -0.328 0.553) 2.119 4.717 ( 2.127 -2.337 -0.861) 3.275 4.820 ( 5.112 1.651 0.703) 5.417 4.951 ( -3.491 1.495 -1.116) 3.958 5.089 ( -1.070 6.948 -1.745) 7.243 5.140 ( -3.178 1.437 2.463) 4.270 5.344 ( 7.721 1.451 0.963) 7.915 5.472 ( -2.964 4.136 1.786) 5.393 5.630 ( 2.625 -5.166 3.579) 6.811 5.680 ( -1.145 -5.793 -2.494) 6.410 6.113 ( 2.712 -5.733 -0.283) 6.349 6.255 ( 2.972 -3.827 -2.355) 5.387 6.278 ( -1.510 -3.327 3.491) 5.053 6.316 ( 0.254 -3.542 -1.774) 3.970 6.561 ( -2.860 -7.364 -0.657) 7.927 6.704 ( 3.005 1.278 -0.825) 3.368 6.825 ( 0.683 -0.559 -2.262) 2.428 6.877 ( 1.676 -4.847 -0.871) 5.202 7.043 ( -8.617 -3.063 2.512) 9.484 7.699 ( -2.827 5.387 -0.532) 6.107 7.796 ( 1.109 0.307 -0.023) 1.151 8.009 ( -0.687 -3.217 -0.999) 3.438 8.323 ( -1.655 -6.968 -1.209) 7.263 8.401 ( 0.470 3.764 1.425) 4.052 8.526 ( 0.547 4.148 -1.352) 4.397 8.664 ( 7.905 -0.923 0.621) 7.982 8.820 ( -3.585 -2.684 -1.762) 4.812 9.030 ( 0.629 -1.422 0.917) 1.805 9.067 ( -3.209 -0.700 0.280) 3.297 9.679 ( 0.857 3.170 -2.977) 4.432 9.741 ( -0.018 5.805 4.313) 7.232 9.932 ( 3.122 8.188 -0.340) 8.770 10.314 ( -3.335 -4.844 1.799) 6.151 10.561 ( -0.838 2.267 -0.018) 2.417 10.679 ( -2.631 0.953 -1.268) 3.072 10.919 ( 1.655 -0.550 -1.258) 2.150 11.014 ( 4.306 2.055 -4.231) 6.377 11.101 ( -3.421 1.063 2.929) 4.628 11.333 ( 3.310 -1.819 1.333) 4.005 11.538 ( 3.313 -7.875 5.619) 10.226 11.655 ( 6.297 -4.964 2.954) 8.545 11.807 ( 0.115 -6.832 3.709) 7.775 11.845 ( 2.320 -5.364 -3.542) 6.834 11.988 ( -6.865 -5.579 -6.575) 11.022 12.147 ( -9.325 -8.046 1.295) 12.385 12.814 ( 3.238 2.234 0.582) 3.977 12.895 ( 0.560 4.947 -0.492) 5.003 13.203 ( -0.120 0.937 -0.648) 1.146 13.447 ( 2.909 -3.704 0.064) 4.710 13.646 ( -2.370 -1.898 -2.828) 4.149 13.661 ( -0.521 -7.479 -1.192) 7.591 14.283 ( -0.098 11.441 2.853) 11.792 14.717 ( 3.722 -3.967 0.231) 5.445 15.271 ( -1.594 16.603 -3.155) 16.975 15.496 ( 4.272 0.959 8.009) 9.128 15.607 ( -2.286 3.725 -6.949) 8.209 15.686 ( 0.341 -4.158 1.929) 4.597 16.335 ( -1.747 9.137 -0.209) 9.305 16.964 ( 2.191 -4.964 1.420) 5.609 19.465 ( -0.609 -0.903 0.774) 1.336 19.576 ( 0.242 -5.597 -0.969) 5.685 20.083 ( 0.709 7.772 3.862) 8.708 20.108 ( 0.164 6.751 -5.262) 8.561 20.905 ( 2.225 -11.969 2.094) 12.353 21.064 ( -0.605 -11.592 -0.864) 11.640 21.488 ( 1.415 0.157 1.273) 1.910 21.583 ( -0.419 -1.244 -0.852) 1.565 22.451 ( 0.700 -3.612 -0.597) 3.727 22.571 ( -1.287 -12.684 0.419) 12.756 23.439 ( 0.079 4.963 -0.291) 4.972 23.531 ( -0.842 5.843 -0.016) 5.903 24.037 ( -1.680 3.219 -1.079) 3.788 24.254 ( -0.316 -4.170 1.083) 4.320 24.897 ( 0.046 10.349 0.960) 10.393 24.931 ( -2.490 11.593 -0.913) 11.892 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 20.448 0.000) 20.448 1.811 ( 0.000 25.953 0.000) 25.953 2.019 ( 0.000 -11.813 0.000) 11.813 2.274 ( 0.000 -16.087 0.000) 16.087 2.425 ( 0.000 2.443 0.000) 2.443 2.457 ( 0.000 -0.161 0.000) 0.161 2.806 ( 0.000 4.495 0.000) 4.495 2.875 ( 0.000 -2.713 0.000) 2.713 3.161 ( 0.000 3.245 0.000) 3.245 3.191 ( 0.000 1.347 0.000) 1.347 3.231 ( 0.000 12.252 0.000) 12.252 3.368 ( 0.000 -2.961 0.000) 2.961 3.454 ( 0.000 5.954 0.000) 5.954 3.505 ( 0.000 0.706 0.000) 0.706 3.547 ( 0.000 2.708 0.000) 2.708 3.637 ( 0.000 24.348 0.000) 24.348 3.697 ( 0.000 -11.103 0.000) 11.103 4.084 ( 0.000 -7.644 0.000) 7.644 4.148 ( 0.000 3.370 0.000) 3.370 4.308 ( 0.000 -15.191 0.000) 15.191 4.457 ( 0.000 0.321 0.000) 0.321 4.472 ( 0.000 -1.595 0.000) 1.595 4.523 ( 0.000 11.185 0.000) 11.185 4.702 ( 0.000 -5.473 0.000) 5.473 4.967 ( 0.000 4.724 0.000) 4.724 5.009 ( 0.000 7.465 0.000) 7.465 5.212 ( 0.000 -0.336 0.000) 0.336 5.416 ( 0.000 -12.894 0.000) 12.894 5.445 ( 0.000 4.242 0.000) 4.242 5.511 ( 0.000 -3.469 0.000) 3.469 5.802 ( 0.000 12.273 0.000) 12.273 5.963 ( 0.000 -3.832 0.000) 3.832 6.261 ( 0.000 -0.874 0.000) 0.874 6.265 ( 0.000 -0.544 0.000) 0.544 6.415 ( 0.000 4.689 0.000) 4.689 6.476 ( 0.000 -3.214 0.000) 3.214 6.530 ( 0.000 6.084 0.000) 6.084 6.703 ( 0.000 -5.954 0.000) 5.954 6.952 ( 0.000 -4.479 0.000) 4.479 7.061 ( 0.000 -12.207 0.000) 12.207 7.832 ( 0.000 4.734 0.000) 4.734 7.882 ( 0.000 0.567 0.000) 0.567 8.198 ( 0.000 1.356 0.000) 1.356 8.202 ( 0.000 0.892 0.000) 0.892 8.387 ( 0.000 0.336 0.000) 0.336 8.435 ( 0.000 -4.153 0.000) 4.153 8.613 ( 0.000 2.892 0.000) 2.892 8.677 ( 0.000 -3.327 0.000) 3.327 9.042 ( 0.000 2.031 0.000) 2.031 9.125 ( 0.000 -5.518 0.000) 5.518 9.701 ( 0.000 4.885 0.000) 4.885 9.775 ( 0.000 -1.977 0.000) 1.977 10.080 ( 0.000 15.993 0.000) 15.993 10.384 ( 0.000 -11.798 0.000) 11.798 10.683 ( 0.000 -0.101 0.000) 0.101 10.687 ( 0.000 -0.986 0.000) 0.986 10.860 ( 0.000 1.648 0.000) 1.648 10.906 ( 0.000 -2.081 0.000) 2.081 11.009 ( 0.000 2.385 0.000) 2.385 11.138 ( 0.000 -8.208 0.000) 8.208 11.324 ( 0.000 5.414 0.000) 5.414 11.451 ( 0.000 -6.291 0.000) 6.291 11.634 ( 0.000 5.856 0.000) 5.856 11.793 ( 0.000 -8.609 0.000) 8.609 12.438 ( 0.000 2.915 0.000) 2.915 12.474 ( 0.000 1.329 0.000) 1.329 12.609 ( 0.000 -3.223 0.000) 3.223 12.634 ( 0.000 -3.183 0.000) 3.183 13.209 ( 0.000 -0.044 0.000) 0.044 13.212 ( 0.000 -0.321 0.000) 0.321 13.729 ( 0.000 2.301 0.000) 2.301 13.797 ( 0.000 -3.568 0.000) 3.568 14.321 ( 0.000 7.696 0.000) 7.696 14.462 ( 0.000 -5.145 0.000) 5.145 15.471 ( 0.000 5.932 0.000) 5.932 15.519 ( 0.000 1.543 0.000) 1.543 15.640 ( 0.000 0.940 0.000) 0.940 15.677 ( 0.000 -1.404 0.000) 1.404 16.530 ( 0.000 5.482 0.000) 5.482 16.655 ( 0.000 -6.335 0.000) 6.335 19.476 ( 0.000 0.394 0.000) 0.394 19.506 ( 0.000 -2.383 0.000) 2.383 20.211 ( 0.000 4.686 0.000) 4.686 20.220 ( 0.000 4.439 0.000) 4.439 20.735 ( 0.000 1.086 0.000) 1.086 20.855 ( 0.000 -9.760 0.000) 9.760 21.487 ( 0.000 3.235 0.000) 3.235 21.552 ( 0.000 -2.743 0.000) 2.743 22.402 ( 0.000 1.162 0.000) 1.162 22.476 ( 0.000 -5.561 0.000) 5.561 23.542 ( 0.000 3.932 0.000) 3.932 23.591 ( 0.000 -0.457 0.000) 0.457 24.140 ( 0.000 -0.287 0.000) 0.287 24.162 ( 0.000 -2.674 0.000) 2.674 25.077 ( 0.000 6.252 0.000) 6.252 25.154 ( 0.000 -0.977 0.000) 0.977 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -7.927 22.314 2.562) 23.819 1.710 ( 0.817 21.342 -4.057) 21.740 2.012 ( -3.847 -11.348 3.969) 12.623 2.115 ( -9.101 -15.265 -4.347) 18.296 2.427 ( 0.522 1.828 -1.106) 2.199 2.453 ( -0.698 -0.308 -1.216) 1.436 2.772 ( -3.244 3.887 -0.726) 5.114 2.807 ( -6.136 -0.213 -1.399) 6.298 3.073 ( -6.187 8.351 -1.548) 10.508 3.220 ( -0.879 4.581 0.392) 4.681 3.254 ( 3.051 -6.672 -0.225) 7.339 3.285 ( -4.216 -3.330 -1.657) 5.622 3.466 ( -0.527 6.459 2.217) 6.849 3.509 ( -2.181 1.568 -3.340) 4.286 3.579 ( 3.636 -3.227 -6.136) 7.829 3.627 ( -4.187 -6.630 3.752) 8.693 3.762 ( 10.582 27.710 3.946) 29.923 4.135 ( 3.246 -0.707 0.266) 3.332 4.162 ( 0.769 3.327 -1.619) 3.779 4.248 ( -2.329 5.726 0.555) 6.207 4.436 ( -2.628 0.129 8.133) 8.548 4.513 ( 2.977 -5.372 0.682) 6.179 4.567 ( 2.545 -1.982 -1.307) 3.481 4.698 ( -1.030 -7.008 4.937) 8.635 4.978 ( 2.048 3.480 1.104) 4.186 5.078 ( -0.304 -4.422 2.674) 5.177 5.287 ( 9.808 8.560 -1.401) 13.093 5.340 ( -5.943 2.188 -1.255) 6.457 5.432 ( -3.243 -1.869 1.199) 3.930 5.532 ( 5.590 -8.365 -1.767) 10.215 5.768 ( -2.941 11.371 0.413) 11.753 5.947 ( -1.293 -5.659 -1.988) 6.136 6.250 ( -0.792 -0.415 -3.009) 3.139 6.253 ( -0.967 -0.958 0.957) 1.665 6.381 ( -3.680 6.393 1.326) 7.495 6.478 ( -1.699 -4.479 -0.750) 4.849 6.624 ( 7.574 1.204 -0.882) 7.719 6.684 ( -0.220 -4.921 -0.103) 4.927 6.889 ( -4.548 -1.750 -1.856) 5.214 7.015 ( -3.637 -10.898 0.377) 11.495 7.821 ( -0.585 2.959 -1.140) 3.225 7.847 ( -2.616 0.894 -1.099) 2.975 8.106 ( -4.173 5.254 -0.111) 6.711 8.236 ( -2.434 -6.578 -1.386) 7.149 8.422 ( 3.449 2.603 1.620) 4.615 8.473 ( 4.669 -1.955 2.372) 5.590 8.613 ( 0.639 4.410 -2.308) 5.018 8.716 ( 2.427 -5.349 -2.534) 6.397 9.037 ( -0.916 1.607 2.053) 2.763 9.099 ( -2.488 -3.859 1.197) 4.745 9.716 ( 1.773 3.507 -3.210) 5.074 9.772 ( -0.059 -1.476 0.434) 1.539 10.090 ( 0.636 13.121 2.202) 13.319 10.314 ( -4.839 -7.546 2.140) 9.216 10.643 ( -1.982 1.694 -0.851) 2.743 10.695 ( -0.289 -3.539 -0.875) 3.657 10.884 ( 0.702 2.562 -1.702) 3.155 10.946 ( 4.880 -2.041 -3.353) 6.263 11.149 ( 8.226 -1.057 3.366) 8.951 11.163 ( 3.305 -1.323 1.183) 3.751 11.341 ( 1.180 3.687 5.898) 7.055 11.461 ( 0.448 -7.602 3.985) 8.594 11.644 ( 1.086 3.177 0.309) 3.372 11.755 ( -2.340 -7.172 -3.517) 8.324 12.209 ( -12.369 1.157 -1.816) 12.555 12.269 ( -13.198 -4.323 -0.295) 13.891 12.754 ( 9.313 4.848 0.933) 10.541 12.849 ( 8.268 -3.155 -0.241) 8.852 13.216 ( 0.863 0.963 -0.289) 1.325 13.250 ( 3.451 -2.662 -0.192) 4.363 13.670 ( -3.701 1.544 -3.389) 5.251 13.719 ( -4.791 -2.324 -4.849) 7.202 14.404 ( 4.426 6.391 4.921) 9.201 14.520 ( 4.471 -4.541 1.446) 6.535 15.446 ( -2.076 2.259 3.900) 4.962 15.490 ( -2.384 -0.408 -0.910) 2.584 15.658 ( 2.161 4.391 -0.680) 4.941 15.712 ( 2.558 0.825 -3.347) 4.292 16.538 ( 0.655 7.641 0.169) 7.671 16.710 ( 4.004 -8.408 1.486) 9.431 19.470 ( -0.550 0.433 0.616) 0.932 19.501 ( -0.429 -2.449 -0.063) 2.487 20.214 ( 0.169 5.213 1.557) 5.443 20.230 ( 0.775 3.867 -1.217) 4.128 20.741 ( 0.442 -0.095 0.325) 0.557 20.847 ( -0.553 -9.589 -0.691) 9.630 21.492 ( 0.450 2.713 0.151) 2.754 21.551 ( -0.058 -2.648 -0.593) 2.714 22.393 ( -0.574 0.439 -0.319) 0.790 22.454 ( -1.786 -5.167 -0.080) 5.468 23.539 ( -0.154 3.934 -0.314) 3.949 23.588 ( -0.196 -0.468 -0.061) 0.511 24.119 ( -1.259 1.190 -0.964) 1.983 24.166 ( -0.093 -3.381 0.969) 3.519 25.070 ( -0.550 5.819 0.256) 5.851 25.128 ( -2.030 0.639 -0.195) 2.138 ======================= Grid point 17 (12/84) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 3.265 11.593 0.585) 12.059 1.744 ( 1.390 18.834 -1.055) 18.915 1.774 ( -12.189 -6.336 0.449) 13.745 2.061 ( 0.156 -9.297 -1.069) 9.360 2.407 ( -1.725 0.579 -2.294) 2.928 2.451 ( 0.590 -3.183 0.674) 3.306 2.653 ( -4.640 1.468 -2.171) 5.329 2.665 ( -5.151 1.089 0.024) 5.265 2.938 ( -3.449 13.488 -0.514) 13.931 3.203 ( -1.227 -8.449 -0.316) 8.544 3.247 ( 2.653 0.659 0.168) 2.739 3.323 ( -0.230 -7.352 1.379) 7.483 3.408 ( -2.240 6.003 1.681) 6.624 3.491 ( 1.504 0.646 -1.412) 2.162 3.563 ( -3.105 -4.097 0.263) 5.147 3.587 ( -0.186 -5.547 -2.645) 6.149 4.055 ( 11.711 22.847 1.481) 25.716 4.132 ( -0.684 10.009 -0.613) 10.051 4.197 ( -0.150 8.240 -1.814) 8.439 4.238 ( -0.009 18.562 2.966) 18.798 4.407 ( -2.101 -2.354 3.231) 4.516 4.521 ( -0.989 -3.697 -1.172) 4.003 4.613 ( 1.105 -7.265 2.000) 7.616 4.687 ( -0.585 -13.835 -0.296) 13.850 5.057 ( 1.538 5.072 1.420) 5.487 5.105 ( 3.935 -1.027 3.941) 5.663 5.195 ( -3.691 2.973 -1.596) 5.001 5.337 ( -4.455 -9.986 -0.549) 10.948 5.527 ( 8.879 9.632 -0.988) 13.137 5.647 ( 0.572 0.324 0.759) 1.004 5.700 ( -1.372 8.267 0.574) 8.400 5.921 ( -0.019 -10.664 -1.470) 10.765 6.216 ( -1.279 -0.081 -0.902) 1.567 6.231 ( -0.988 -1.404 -0.028) 1.717 6.305 ( -2.114 1.794 -0.749) 2.872 6.398 ( -3.289 -6.989 -0.219) 7.728 6.698 ( 0.819 -1.331 0.210) 1.577 6.739 ( -0.151 -5.831 -0.511) 5.855 6.838 ( 3.422 2.652 -1.698) 4.650 6.934 ( -3.804 -5.966 0.759) 7.117 7.788 ( -1.563 2.787 -0.558) 3.244 7.810 ( -0.482 0.420 -0.329) 0.719 8.030 ( -2.076 4.520 -0.433) 4.993 8.165 ( -2.088 -7.627 -0.886) 7.957 8.506 ( 2.559 5.726 2.383) 6.709 8.594 ( 2.262 -0.038 1.040) 2.490 8.640 ( 4.060 0.758 -0.646) 4.180 8.725 ( -1.318 -5.431 -3.589) 6.642 9.017 ( -0.881 0.380 1.383) 1.683 9.041 ( -2.405 -1.553 0.795) 2.972 9.739 ( 0.833 2.646 -2.301) 3.604 9.786 ( 0.879 -1.237 0.305) 1.548 10.116 ( 0.898 8.243 1.189) 8.377 10.239 ( -2.287 -3.509 2.135) 4.701 10.612 ( -0.632 2.586 -0.127) 2.665 10.671 ( -1.087 -2.564 -0.593) 2.847 10.891 ( 0.361 4.191 -0.703) 4.265 11.020 ( 2.155 -4.133 -2.757) 5.416 11.241 ( 2.794 6.524 0.187) 7.100 11.307 ( 3.489 -1.037 2.000) 4.153 11.409 ( 1.862 -0.929 5.747) 6.112 11.509 ( 2.832 -8.204 2.047) 8.917 11.687 ( 1.720 -2.389 0.121) 2.946 11.725 ( 2.273 -5.186 -1.307) 5.812 11.943 ( -8.955 0.837 -3.318) 9.586 12.008 ( -9.961 -5.089 -0.037) 11.185 12.895 ( 3.132 4.392 0.239) 5.399 12.951 ( 1.865 -0.106 -0.391) 1.909 13.242 ( 1.095 2.890 0.055) 3.091 13.333 ( 2.841 -5.849 0.384) 6.514 13.595 ( -1.732 0.247 -1.757) 2.479 13.618 ( -2.514 -1.259 -2.624) 3.846 14.478 ( 1.259 7.567 2.051) 7.940 14.616 ( 2.716 -5.726 0.846) 6.393 15.409 ( -1.430 1.805 0.207) 2.313 15.458 ( -0.580 -3.389 1.554) 3.773 15.697 ( 1.260 6.416 -1.278) 6.662 15.749 ( 1.196 1.691 -1.025) 2.311 16.552 ( 0.406 11.378 0.121) 11.385 16.791 ( 2.221 -10.701 0.831) 10.961 19.460 ( -0.356 0.526 0.390) 0.745 19.492 ( -0.259 -2.618 -0.057) 2.631 20.227 ( 0.383 5.042 1.715) 5.339 20.237 ( 0.210 4.144 -1.510) 4.415 20.753 ( 0.431 -2.315 0.355) 2.381 20.832 ( -0.483 -9.117 -0.577) 9.148 21.505 ( 0.499 1.445 0.290) 1.556 21.545 ( -0.263 -2.150 -0.559) 2.237 22.387 ( 0.351 -1.470 -0.341) 1.549 22.411 ( -1.848 -3.751 0.099) 4.183 23.536 ( -0.049 3.877 -0.177) 3.881 23.584 ( -0.154 -0.288 -0.058) 0.332 24.095 ( -0.600 2.796 -0.336) 2.880 24.165 ( -0.150 -3.939 0.369) 3.960 25.062 ( -0.116 4.911 0.306) 4.922 25.086 ( -1.307 2.955 -0.259) 3.242 ======================= Grid point 35 (13/84) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 12.061 0.000 24.521) 27.327 0.567 ( 1.041 0.000 29.566) 29.584 0.901 ( -6.678 0.000 45.693) 46.178 2.064 ( 1.473 0.000 -4.381) 4.622 2.173 ( -2.157 0.000 26.571) 26.658 2.463 ( -0.168 0.000 1.849) 1.856 2.611 ( -6.574 0.000 -0.410) 6.587 2.612 ( 0.122 0.000 -0.816) 0.825 2.750 ( -2.178 0.000 5.825) 6.219 2.885 ( 5.527 0.000 7.484) 9.304 3.010 ( -4.474 0.000 3.759) 5.844 3.288 ( 1.303 0.000 -7.630) 7.740 3.312 ( -2.099 0.000 0.669) 2.203 3.450 ( 1.373 0.000 0.762) 1.571 3.636 ( 1.454 0.000 -3.745) 4.017 3.692 ( -6.361 0.000 -4.943) 8.056 3.968 ( -2.173 0.000 -0.806) 2.317 3.989 ( -1.270 0.000 -0.106) 1.275 4.042 ( 5.709 0.000 4.141) 7.053 4.205 ( -1.744 0.000 -4.497) 4.824 4.210 ( 1.498 0.000 7.515) 7.663 4.571 ( 3.452 0.000 -2.866) 4.487 4.727 ( -2.601 0.000 -1.274) 2.896 4.883 ( 4.693 0.000 -9.192) 10.321 4.949 ( 0.065 0.000 1.305) 1.306 5.119 ( -0.239 0.000 7.879) 7.882 5.256 ( 4.331 0.000 1.985) 4.764 5.327 ( 0.877 0.000 -9.442) 9.482 5.440 ( -3.392 0.000 7.283) 8.034 5.513 ( -1.346 0.000 -3.227) 3.497 5.828 ( 5.238 0.000 4.653) 7.006 5.908 ( -3.463 0.000 -1.186) 3.660 6.163 ( -1.731 0.000 -0.662) 1.853 6.470 ( -4.103 0.000 0.203) 4.108 6.529 ( -2.368 0.000 5.251) 5.760 6.673 ( -2.242 0.000 -2.946) 3.702 6.725 ( 5.833 0.000 -1.204) 5.956 6.882 ( 11.692 0.000 1.929) 11.850 6.956 ( -0.905 0.000 1.394) 1.662 7.030 ( 1.149 0.000 0.179) 1.163 7.558 ( -0.534 0.000 -1.530) 1.621 7.831 ( 0.356 0.000 -3.497) 3.515 8.150 ( -1.008 0.000 1.038) 1.447 8.170 ( 0.497 0.000 -7.334) 7.351 8.490 ( -4.359 0.000 -3.930) 5.869 8.588 ( -4.244 0.000 6.038) 7.381 8.684 ( -5.147 0.000 -8.955) 10.329 8.843 ( 4.243 0.000 0.103) 4.245 8.991 ( -0.241 0.000 2.358) 2.370 9.225 ( -6.585 0.000 0.718) 6.624 9.512 ( 1.909 0.000 -0.173) 1.917 9.764 ( 5.701 0.000 -0.495) 5.723 10.371 ( 2.840 0.000 -1.408) 3.170 10.515 ( -3.832 0.000 -4.282) 5.747 10.652 ( -44.490 0.000 -0.440) 44.492 10.726 ( -8.217 0.000 -1.812) 8.414 10.729 ( -11.581 0.000 0.255) 11.584 10.937 ( 0.809 0.000 3.233) 3.333 11.068 ( -3.859 0.000 -8.031) 8.910 11.438 ( 9.569 0.000 -3.631) 10.235 11.466 ( 4.190 0.000 10.183) 11.012 11.673 ( -3.090 0.000 -10.735) 11.170 11.751 ( 3.934 0.000 -3.539) 5.292 12.287 ( 38.580 0.000 -4.036) 38.790 12.290 ( -1.936 0.000 10.643) 10.817 12.444 ( -6.026 0.000 1.232) 6.151 12.567 ( 2.850 0.000 -8.289) 8.766 12.811 ( 8.971 0.000 0.943) 9.020 13.090 ( 2.254 0.000 2.276) 3.203 13.418 ( -1.243 0.000 2.038) 2.387 13.534 ( -3.904 0.000 -2.927) 4.880 13.843 ( -11.407 0.000 -6.687) 13.223 14.253 ( -4.633 0.000 11.376) 12.283 14.357 ( -1.610 0.000 -1.499) 2.200 14.797 ( 1.873 0.000 0.107) 1.876 14.871 ( 17.366 0.000 -7.549) 18.935 15.615 ( 5.916 0.000 9.064) 10.823 15.891 ( 18.140 0.000 2.162) 18.268 16.161 ( -0.372 0.000 -0.657) 0.755 16.852 ( 0.334 0.000 -3.988) 4.002 19.575 ( 0.610 0.000 2.618) 2.688 19.854 ( 0.220 0.000 3.691) 3.697 19.858 ( -1.354 0.000 4.013) 4.235 20.264 ( -45.816 0.000 5.620) 46.160 21.474 ( -1.676 0.000 8.479) 8.643 21.496 ( -0.694 0.000 8.398) 8.427 21.528 ( 3.645 0.000 -1.655) 4.003 22.441 ( 18.196 0.000 -4.922) 18.850 22.458 ( 0.155 0.000 -0.696) 0.713 22.636 ( 12.250 0.000 -0.369) 12.256 22.935 ( 1.150 0.000 7.334) 7.423 23.292 ( -0.462 0.000 -0.129) 0.479 23.804 ( 0.987 0.000 -0.953) 1.372 24.225 ( -0.458 0.000 -0.532) 0.702 24.471 ( 0.590 0.000 -5.439) 5.471 24.726 ( 6.276 0.000 -5.148) 8.117 ======================= Grid point 36 (14/84) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 6.569 0.000 31.222) 31.906 0.925 ( 19.539 0.000 21.026) 28.703 1.249 ( 28.373 0.000 22.882) 36.450 2.069 ( -0.783 0.000 -1.705) 1.876 2.188 ( -1.840 0.000 26.321) 26.385 2.383 ( -11.849 0.000 -0.865) 11.881 2.414 ( -4.624 0.000 1.601) 4.893 2.606 ( -0.461 0.000 0.689) 0.829 2.695 ( -4.003 0.000 12.512) 13.137 2.917 ( -5.016 0.000 -2.972) 5.831 2.954 ( -1.315 0.000 6.431) 6.564 3.109 ( -14.457 0.000 -5.602) 15.504 3.320 ( 3.152 0.000 -5.916) 6.704 3.453 ( 0.592 0.000 3.255) 3.308 3.625 ( -1.312 0.000 -3.946) 4.158 3.655 ( 1.657 0.000 2.356) 2.881 3.897 ( -1.538 0.000 0.984) 1.826 3.912 ( -7.067 0.000 2.484) 7.490 4.086 ( -5.059 0.000 -8.328) 9.744 4.101 ( 2.786 0.000 0.256) 2.798 4.374 ( -10.913 0.000 -7.017) 12.975 4.395 ( 3.275 0.000 2.207) 3.949 4.704 ( 2.991 0.000 3.168) 4.357 4.933 ( -0.076 0.000 -4.201) 4.202 5.004 ( -0.686 0.000 4.120) 4.177 5.048 ( -5.577 0.000 1.736) 5.841 5.305 ( -2.391 0.000 1.192) 2.672 5.361 ( -9.033 0.000 -0.814) 9.070 5.431 ( 7.841 0.000 -6.128) 9.952 5.462 ( 4.980 0.000 -5.342) 7.304 5.917 ( 3.215 0.000 -2.058) 3.817 6.014 ( 8.139 0.000 5.892) 10.048 6.223 ( 7.267 0.000 -2.798) 7.787 6.438 ( 2.099 0.000 1.025) 2.336 6.528 ( -1.393 0.000 9.086) 9.192 6.633 ( 0.026 0.000 -2.573) 2.573 6.810 ( 2.441 0.000 -1.838) 3.055 6.912 ( -3.002 0.000 -0.480) 3.040 6.961 ( -5.888 0.000 5.524) 8.073 7.029 ( -2.267 0.000 0.302) 2.287 7.618 ( 7.043 0.000 -5.431) 8.893 7.674 ( -9.374 0.000 -2.296) 9.652 8.102 ( -2.904 0.000 0.485) 2.944 8.266 ( 7.044 0.000 -1.346) 7.172 8.354 ( -1.753 0.000 -1.224) 2.138 8.566 ( -0.332 0.000 2.635) 2.656 8.584 ( -0.032 0.000 -6.859) 6.859 8.851 ( -3.247 0.000 -1.821) 3.723 9.019 ( 1.951 0.000 1.288) 2.338 9.068 ( -4.346 0.000 -0.946) 4.448 9.599 ( 3.907 0.000 1.646) 4.239 9.797 ( -16.291 0.000 17.491) 23.902 9.838 ( 0.063 0.000 4.835) 4.836 10.457 ( 3.929 0.000 1.662) 4.266 10.540 ( -1.223 0.000 -2.281) 2.588 10.602 ( -2.966 0.000 -4.375) 5.286 10.653 ( -1.680 0.000 -1.909) 2.543 10.995 ( 5.928 0.000 -4.203) 7.266 11.024 ( 0.588 0.000 -3.463) 3.513 11.569 ( -2.759 0.000 -4.429) 5.218 11.641 ( 7.810 0.000 6.890) 10.415 11.661 ( 8.785 0.000 3.891) 9.608 11.814 ( 2.837 0.000 -8.315) 8.786 12.188 ( -10.235 0.000 2.808) 10.613 12.262 ( -3.733 0.000 -10.170) 10.833 12.316 ( -3.696 0.000 3.956) 5.414 12.743 ( 2.132 0.000 -5.485) 5.885 13.143 ( 1.260 0.000 3.174) 3.415 13.233 ( 0.221 0.000 -6.120) 6.124 13.410 ( 5.878 0.000 -7.334) 9.399 13.442 ( 2.609 0.000 1.728) 3.129 13.784 ( 3.549 0.000 -4.021) 5.363 14.293 ( -1.063 0.000 17.330) 17.362 14.305 ( -2.267 0.000 -0.624) 2.351 14.852 ( 2.628 0.000 -0.694) 2.719 15.022 ( 4.166 0.000 -14.697) 15.276 15.677 ( -0.342 0.000 11.979) 11.984 16.138 ( -1.286 0.000 -0.696) 1.463 16.194 ( 3.403 0.000 -13.358) 13.785 16.852 ( 0.811 0.000 -4.050) 4.130 19.583 ( -0.933 0.000 3.568) 3.688 19.728 ( -3.706 0.000 4.915) 6.156 19.851 ( -0.299 0.000 3.372) 3.386 19.983 ( 1.958 0.000 13.577) 13.718 21.454 ( -2.115 0.000 7.648) 7.935 21.512 ( -0.634 0.000 8.908) 8.931 21.542 ( -0.093 0.000 -0.895) 0.900 22.146 ( -12.466 0.000 9.121) 15.447 22.462 ( 0.324 0.000 -0.711) 0.781 22.928 ( 2.014 0.000 3.728) 4.238 23.164 ( 7.835 0.000 -12.904) 15.097 23.281 ( -0.464 0.000 -0.039) 0.466 23.832 ( 1.518 0.000 -0.690) 1.667 24.203 ( -1.056 0.000 -0.913) 1.396 24.466 ( 0.750 0.000 -5.969) 6.016 24.688 ( -4.031 0.000 -1.773) 4.403 ======================= Grid point 37 (15/84) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.322 0.000 35.896) 35.898 1.427 ( 19.581 0.000 13.463) 23.763 1.736 ( 8.078 0.000 9.002) 12.095 1.872 ( -18.902 0.000 5.736) 19.754 2.248 ( 2.065 0.000 -4.424) 4.882 2.343 ( -0.934 0.000 1.214) 1.531 2.403 ( 11.460 0.000 20.998) 23.921 2.592 ( -0.778 0.000 -2.664) 2.775 2.659 ( -18.671 0.000 -4.196) 19.137 2.722 ( 5.303 0.000 18.727) 19.464 2.801 ( -10.479 0.000 -3.187) 10.952 2.934 ( -1.190 0.000 3.755) 3.939 3.346 ( 0.393 0.000 -6.186) 6.198 3.454 ( -0.706 0.000 1.688) 1.830 3.568 ( -2.825 0.000 -4.288) 5.136 3.643 ( -2.450 0.000 4.891) 5.470 3.707 ( -7.133 0.000 0.213) 7.137 3.917 ( -0.733 0.000 0.251) 0.774 4.053 ( 3.993 0.000 -6.102) 7.293 4.198 ( -3.551 0.000 -4.021) 5.365 4.238 ( 10.599 0.000 -0.639) 10.619 4.380 ( -2.449 0.000 1.775) 3.025 4.820 ( 3.875 0.000 4.351) 5.827 4.919 ( 0.307 0.000 -2.618) 2.635 4.952 ( -2.319 0.000 -0.277) 2.336 4.957 ( -4.037 0.000 3.904) 5.616 5.126 ( -9.888 0.000 0.818) 9.922 5.223 ( -2.745 0.000 3.192) 4.210 5.552 ( 4.073 0.000 -11.062) 11.788 5.584 ( 4.757 0.000 -5.079) 6.959 5.972 ( 1.919 0.000 0.294) 1.941 6.127 ( 0.204 0.000 0.366) 0.419 6.446 ( 12.722 0.000 -1.427) 12.802 6.484 ( -0.525 0.000 2.028) 2.095 6.520 ( -2.168 0.000 10.359) 10.583 6.658 ( 0.871 0.000 -0.256) 0.908 6.787 ( -1.694 0.000 -2.787) 3.261 6.808 ( -6.184 0.000 1.175) 6.295 6.905 ( -1.036 0.000 8.607) 8.669 6.959 ( -1.806 0.000 -0.885) 2.011 7.511 ( -3.902 0.000 -2.069) 4.416 7.748 ( 5.400 0.000 -8.332) 9.929 8.080 ( 0.349 0.000 -3.987) 4.003 8.361 ( 1.806 0.000 -0.196) 1.816 8.378 ( 4.850 0.000 -3.005) 5.706 8.557 ( -1.354 0.000 3.192) 3.467 8.650 ( 4.559 0.000 0.740) 4.618 8.728 ( -5.437 0.000 -5.325) 7.610 9.022 ( 0.203 0.000 -1.987) 1.997 9.057 ( 1.197 0.000 -1.248) 1.729 9.655 ( -0.914 0.000 3.405) 3.525 9.684 ( 0.260 0.000 9.078) 9.082 9.795 ( -5.198 0.000 4.860) 7.116 10.496 ( -1.524 0.000 -3.291) 3.627 10.505 ( -1.656 0.000 -1.055) 1.963 10.574 ( 3.129 0.000 0.551) 3.177 10.643 ( 0.954 0.000 -0.358) 1.019 11.051 ( 2.010 0.000 1.498) 2.507 11.147 ( 8.603 0.000 -10.772) 13.785 11.540 ( -0.122 0.000 0.011) 0.123 11.695 ( -4.609 0.000 -7.576) 8.868 11.727 ( -2.625 0.000 -3.199) 4.139 11.906 ( -6.450 0.000 -1.078) 6.540 11.931 ( 2.052 0.000 1.804) 2.732 12.231 ( 4.232 0.000 -9.263) 10.184 12.342 ( 2.953 0.000 9.059) 9.528 12.714 ( -3.449 0.000 -2.632) 4.339 13.150 ( -1.286 0.000 1.560) 2.022 13.160 ( 0.076 0.000 1.288) 1.290 13.513 ( 2.495 0.000 2.419) 3.475 13.521 ( 3.948 0.000 -10.335) 11.063 13.863 ( 3.755 0.000 -2.110) 4.307 14.268 ( -0.879 0.000 1.414) 1.665 14.286 ( -3.924 0.000 17.502) 17.936 14.886 ( 0.754 0.000 -2.931) 3.026 15.042 ( 1.998 0.000 -14.064) 14.205 15.700 ( -1.376 0.000 12.044) 12.122 16.113 ( -4.764 0.000 -10.146) 11.209 16.115 ( -0.393 0.000 -0.196) 0.439 16.860 ( 0.936 0.000 -3.761) 3.875 19.562 ( -1.714 0.000 3.539) 3.932 19.738 ( 1.876 0.000 -0.564) 1.959 19.864 ( 0.340 0.000 3.495) 3.512 20.115 ( 5.577 0.000 17.026) 17.916 21.437 ( -1.538 0.000 7.930) 8.078 21.520 ( -1.087 0.000 8.207) 8.279 21.523 ( -1.296 0.000 -3.948) 4.155 21.972 ( -7.009 0.000 8.208) 10.793 22.466 ( 0.193 0.000 -0.763) 0.787 22.967 ( 0.032 0.000 4.615) 4.615 23.188 ( 0.348 0.000 -9.683) 9.689 23.277 ( 0.073 0.000 0.600) 0.604 23.850 ( 0.218 0.000 -1.553) 1.568 24.186 ( -0.060 0.000 -0.539) 0.543 24.468 ( 1.209 0.000 -6.878) 6.983 24.615 ( -2.251 0.000 -2.068) 3.056 ======================= Grid point 38 (16/84) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -10.119 0.000 32.851) 34.374 1.332 ( -26.300 0.000 8.108) 27.521 1.803 ( -11.206 0.000 3.130) 11.635 1.869 ( 11.812 0.000 6.377) 13.423 2.062 ( -21.831 0.000 15.443) 26.741 2.320 ( 3.710 0.000 -0.015) 3.710 2.411 ( 6.402 0.000 1.735) 6.633 2.576 ( 1.217 0.000 4.093) 4.270 2.597 ( 2.068 0.000 3.128) 3.750 2.689 ( 2.015 0.000 -1.907) 2.775 2.984 ( 5.733 0.000 2.276) 6.168 3.028 ( 7.060 0.000 14.068) 15.740 3.320 ( 0.170 0.000 -6.679) 6.681 3.449 ( -0.424 0.000 0.183) 0.462 3.525 ( 1.874 0.000 -4.284) 4.676 3.623 ( -0.369 0.000 3.724) 3.742 3.698 ( 6.254 0.000 -0.805) 6.305 3.874 ( -1.952 0.000 1.366) 2.383 4.135 ( 1.682 0.000 -6.520) 6.733 4.249 ( 11.064 0.000 2.150) 11.271 4.297 ( -5.099 0.000 -0.117) 5.101 4.452 ( 4.367 0.000 3.354) 5.506 4.790 ( -4.691 0.000 0.610) 4.731 4.862 ( -4.594 0.000 -0.414) 4.612 4.953 ( 2.200 0.000 1.702) 2.782 4.991 ( 0.083 0.000 7.041) 7.041 5.076 ( 9.126 0.000 -3.069) 9.628 5.208 ( 0.679 0.000 -2.538) 2.627 5.573 ( 0.461 0.000 -6.248) 6.265 5.575 ( -3.004 0.000 -5.104) 5.922 6.003 ( 0.694 0.000 0.369) 0.786 6.026 ( -7.910 0.000 -3.903) 8.821 6.434 ( -2.452 0.000 2.183) 3.283 6.526 ( -0.179 0.000 10.492) 10.494 6.527 ( -10.838 0.000 1.372) 10.924 6.709 ( 10.172 0.000 -2.089) 10.384 6.740 ( -0.728 0.000 2.396) 2.504 6.763 ( -0.731 0.000 -2.235) 2.352 6.879 ( -4.295 0.000 4.158) 5.978 7.006 ( 3.760 0.000 1.333) 3.989 7.511 ( 4.648 0.000 -2.392) 5.228 7.757 ( -2.900 0.000 -5.581) 6.290 8.090 ( 2.814 0.000 -8.627) 9.075 8.429 ( 3.774 0.000 6.014) 7.100 8.495 ( 4.458 0.000 0.833) 4.535 8.535 ( -1.114 0.000 1.624) 1.970 8.537 ( -6.292 0.000 -2.681) 6.839 8.791 ( 4.995 0.000 -2.206) 5.460 9.052 ( -1.295 0.000 -2.510) 2.825 9.066 ( 4.237 0.000 -0.375) 4.254 9.622 ( -2.405 0.000 1.601) 2.889 9.678 ( -4.764 0.000 -0.238) 4.770 9.787 ( 5.864 0.000 16.545) 17.553 10.437 ( -3.249 0.000 -2.390) 4.033 10.472 ( 0.712 0.000 -3.506) 3.577 10.678 ( 1.915 0.000 0.981) 2.152 10.695 ( 6.401 0.000 4.822) 8.014 11.120 ( 3.407 0.000 4.516) 5.657 11.248 ( 1.804 0.000 -12.255) 12.387 11.358 ( -12.495 0.000 -1.378) 12.571 11.539 ( -10.579 0.000 -11.037) 15.288 11.673 ( 2.494 0.000 -12.782) 13.023 11.743 ( -1.073 0.000 -0.820) 1.350 12.088 ( 5.561 0.000 7.362) 9.226 12.304 ( 2.145 0.000 -7.272) 7.582 12.452 ( 3.344 0.000 11.256) 11.742 12.632 ( -1.219 0.000 -5.544) 5.676 13.105 ( -2.659 0.000 -0.413) 2.690 13.243 ( 4.546 0.000 4.042) 6.083 13.518 ( -0.678 0.000 -12.210) 12.229 13.534 ( -1.695 0.000 3.009) 3.454 13.919 ( 1.684 0.000 0.018) 1.685 14.278 ( -0.728 0.000 17.978) 17.993 14.289 ( 2.260 0.000 2.283) 3.212 14.860 ( -2.051 0.000 -3.957) 4.457 15.008 ( -1.509 0.000 -16.442) 16.511 15.677 ( -4.025 0.000 8.290) 9.215 15.968 ( -5.433 0.000 -10.482) 11.807 16.125 ( 1.193 0.000 0.119) 1.199 16.865 ( 0.510 0.000 -3.518) 3.555 19.543 ( -0.697 0.000 2.679) 2.768 19.777 ( 1.670 0.000 0.346) 1.705 19.878 ( -0.279 0.000 4.101) 4.111 20.352 ( 10.934 0.000 26.322) 28.502 21.439 ( -0.686 0.000 8.650) 8.677 21.445 ( -4.127 0.000 -11.004) 11.753 21.517 ( -1.481 0.000 7.552) 7.696 21.866 ( -5.461 0.000 7.591) 9.352 22.464 ( -0.064 0.000 -0.779) 0.782 22.947 ( -2.699 0.000 3.617) 4.513 23.165 ( 0.018 0.000 -10.702) 10.702 23.286 ( 0.454 0.000 0.938) 1.043 23.831 ( -1.118 0.000 -2.365) 2.616 24.199 ( 1.119 0.000 0.055) 1.120 24.471 ( 1.011 0.000 -7.032) 7.105 24.574 ( -0.725 0.000 -2.555) 2.656 ======================= Grid point 39 (17/84) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -23.585 0.000 15.843) 28.412 0.794 ( -24.127 0.000 16.104) 29.008 1.146 ( -30.642 0.000 24.531) 39.252 2.027 ( 3.312 0.000 -1.043) 3.472 2.084 ( 2.312 0.000 25.251) 25.357 2.410 ( 4.104 0.000 0.374) 4.121 2.590 ( 7.670 0.000 2.310) 8.010 2.603 ( 1.132 0.000 -2.077) 2.365 2.683 ( 3.792 0.000 9.164) 9.918 2.769 ( 2.501 0.000 4.576) 5.215 3.062 ( -2.751 0.000 6.250) 6.829 3.222 ( 13.269 0.000 -0.097) 13.269 3.301 ( 0.032 0.000 -7.046) 7.046 3.410 ( -2.614 0.000 0.154) 2.619 3.582 ( 3.691 0.000 -5.196) 6.373 3.672 ( 4.392 0.000 2.298) 4.957 3.889 ( 2.968 0.000 4.982) 5.799 3.908 ( 8.555 0.000 3.366) 9.194 4.132 ( -9.278 0.000 -4.419) 10.276 4.170 ( 3.832 0.000 -4.972) 6.277 4.375 ( -10.684 0.000 4.188) 11.476 4.491 ( 5.510 0.000 -3.165) 6.355 4.752 ( 0.220 0.000 -0.021) 0.221 4.811 ( 2.898 0.000 3.945) 4.895 4.985 ( -0.764 0.000 3.278) 3.366 5.048 ( 2.844 0.000 6.968) 7.527 5.191 ( -0.748 0.000 -10.996) 11.022 5.289 ( 8.067 0.000 -4.843) 9.409 5.509 ( -0.383 0.000 -2.647) 2.675 5.542 ( -2.534 0.000 0.114) 2.537 5.834 ( -6.406 0.000 -2.158) 6.760 5.994 ( -1.871 0.000 -1.692) 2.522 6.297 ( -9.554 0.000 0.834) 9.590 6.439 ( 1.960 0.000 5.099) 5.463 6.583 ( 2.974 0.000 9.227) 9.694 6.715 ( -8.288 0.000 -3.512) 9.001 6.718 ( -1.014 0.000 -0.879) 1.342 6.757 ( -0.964 0.000 1.824) 2.063 6.893 ( 5.723 0.000 1.596) 5.941 7.039 ( -0.833 0.000 0.078) 0.837 7.632 ( -5.589 0.000 -2.155) 5.990 7.678 ( 10.141 0.000 -2.512) 10.447 8.139 ( 3.926 0.000 -10.324) 11.045 8.314 ( -10.272 0.000 0.055) 10.273 8.516 ( -0.011 0.000 0.409) 0.409 8.561 ( 4.241 0.000 7.864) 8.934 8.677 ( 8.010 0.000 0.125) 8.011 8.822 ( -1.693 0.000 -5.770) 6.013 9.006 ( -1.771 0.000 1.307) 2.201 9.191 ( 6.330 0.000 0.275) 6.336 9.558 ( -3.734 0.000 0.445) 3.760 9.651 ( 3.478 0.000 -3.944) 5.258 10.190 ( 29.868 0.000 35.710) 46.554 10.369 ( -1.826 0.000 -2.028) 2.729 10.519 ( 5.495 0.000 3.429) 6.478 10.723 ( 1.427 0.000 0.962) 1.721 10.853 ( 4.764 0.000 8.234) 9.513 10.987 ( -13.423 0.000 -3.599) 13.897 11.219 ( 2.998 0.000 4.410) 5.333 11.267 ( -8.601 0.000 -10.694) 13.724 11.320 ( 3.480 0.000 -10.702) 11.254 11.668 ( 3.138 0.000 -10.203) 10.675 11.763 ( -0.448 0.000 -4.031) 4.056 12.217 ( -8.383 0.000 -10.754) 13.636 12.222 ( 4.128 0.000 10.062) 10.876 12.516 ( -1.206 0.000 7.985) 8.076 12.647 ( 3.505 0.000 -8.342) 9.049 13.061 ( -0.491 0.000 -0.253) 0.552 13.168 ( -15.634 0.000 -14.310) 21.194 13.473 ( -3.889 0.000 2.697) 4.732 13.509 ( 3.558 0.000 -2.374) 4.277 13.950 ( 1.355 0.000 0.162) 1.365 14.354 ( 2.110 0.000 1.131) 2.394 14.407 ( 7.426 0.000 15.668) 17.338 14.793 ( -15.187 0.000 -23.992) 28.395 14.798 ( -1.757 0.000 -2.557) 3.103 15.572 ( -5.676 0.000 -0.158) 5.678 15.825 ( -5.116 0.000 1.867) 5.446 16.153 ( 1.091 0.000 -0.185) 1.107 16.860 ( 0.153 0.000 -3.655) 3.658 19.551 ( 0.628 0.000 2.154) 2.244 19.815 ( 1.491 0.000 2.727) 3.108 19.875 ( -1.210 0.000 4.378) 4.542 20.829 ( 21.209 0.000 32.418) 38.740 21.240 ( -7.168 0.000 -20.967) 22.158 21.459 ( -0.235 0.000 9.457) 9.460 21.504 ( -1.778 0.000 7.200) 7.416 21.796 ( -1.387 0.000 14.334) 14.401 22.460 ( -0.075 0.000 -0.734) 0.738 22.895 ( -3.072 0.000 0.618) 3.134 23.057 ( -8.337 0.000 -13.610) 15.961 23.296 ( 0.128 0.000 0.502) 0.518 23.803 ( -0.520 0.000 -1.940) 2.008 24.222 ( 0.735 0.000 -0.011) 0.735 24.470 ( 0.910 0.000 -5.645) 5.717 24.582 ( 2.885 0.000 -0.889) 3.019 ======================= Grid point 40 (18/84) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -1.829 25.452 12.280) 28.319 0.816 ( 0.796 20.554 18.514) 27.674 1.542 ( -1.015 45.505 25.781) 52.311 2.123 ( 0.469 4.527 3.365) 5.660 2.263 ( -1.600 6.147 11.382) 13.034 2.506 ( 1.041 3.798 3.120) 5.024 2.630 ( -3.298 4.854 2.069) 6.222 2.684 ( -0.760 -1.738 8.035) 8.256 2.814 ( -0.675 11.762 1.986) 11.947 2.873 ( 3.775 2.705 1.744) 4.961 3.009 ( -4.769 -1.165 0.600) 4.946 3.195 ( -1.956 -1.824 0.618) 2.745 3.434 ( 2.633 -0.928 1.191) 3.035 3.528 ( -1.865 -1.030 -3.658) 4.233 3.543 ( 3.156 1.804 -0.674) 3.698 3.716 ( 0.226 3.568 -2.148) 4.171 3.930 ( -7.606 0.861 -6.998) 10.371 3.968 ( 0.447 -2.597 4.397) 5.126 4.040 ( 1.091 -0.620 3.348) 3.575 4.188 ( -3.611 -0.522 1.617) 3.991 4.380 ( 7.581 12.660 -2.459) 14.960 4.485 ( -0.501 -6.737 -0.122) 6.757 4.717 ( -0.024 -1.802 3.224) 3.693 4.855 ( -0.064 -0.514 -4.834) 4.862 4.963 ( -3.079 0.461 0.225) 3.121 5.034 ( 0.588 -7.611 6.171) 9.816 5.142 ( 3.759 -2.150 3.632) 5.651 5.388 ( 3.146 2.348 2.404) 4.603 5.422 ( 2.756 -1.194 -4.014) 5.014 5.521 ( -2.799 1.157 -2.320) 3.815 5.840 ( -1.887 -5.436 -1.240) 5.886 5.936 ( 3.349 8.812 3.357) 10.007 6.112 ( -2.410 -4.226 -1.105) 4.989 6.386 ( 0.112 -5.362 2.236) 5.810 6.483 ( -0.493 -2.882 6.167) 6.825 6.544 ( -1.552 -3.757 2.877) 4.980 6.750 ( 1.660 -2.821 3.999) 5.168 6.941 ( -0.641 1.064 -2.254) 2.573 6.971 ( -4.530 3.227 -7.789) 9.571 7.234 ( 9.023 6.176 -8.045) 13.575 7.600 ( -0.274 3.972 -1.341) 4.201 7.803 ( 0.289 -1.682 -2.654) 3.155 8.162 ( -4.442 0.993 1.314) 4.737 8.205 ( 2.841 2.044 -5.624) 6.624 8.407 ( -2.575 -4.551 -1.205) 5.366 8.545 ( -2.623 -2.720 4.492) 5.870 8.689 ( -5.836 -1.195 -5.700) 8.244 8.837 ( 2.444 -3.136 1.688) 4.320 9.027 ( 0.606 2.726 1.993) 3.431 9.213 ( -3.105 0.840 0.732) 3.299 9.495 ( 1.962 -1.353 -1.156) 2.649 9.764 ( 5.687 -0.288 -0.619) 5.728 9.914 ( -9.663 -12.611 18.784) 24.602 10.537 ( 4.582 0.305 -3.851) 5.994 10.684 ( -7.386 -1.241 -1.821) 7.708 10.739 ( -10.598 -0.178 -0.802) 10.630 10.748 ( -2.349 2.297 -2.745) 4.282 10.930 ( 4.257 -0.932 1.854) 4.736 11.063 ( -1.369 -0.564 -7.146) 7.298 11.325 ( 8.051 -6.245 0.436) 10.198 11.511 ( 9.823 -0.835 6.454) 11.783 11.541 ( -5.208 -5.666 -0.755) 7.733 11.664 ( 5.544 -4.667 -7.981) 10.780 12.187 ( -5.857 -7.295 6.981) 11.673 12.384 ( -3.793 -0.728 -0.353) 3.878 12.422 ( 13.342 5.959 -2.355) 14.801 12.582 ( -4.510 -0.375 3.883) 5.963 12.712 ( 2.857 0.489 -6.547) 7.160 13.338 ( -2.458 -4.730 -0.374) 5.344 13.383 ( 0.834 -6.993 -2.186) 7.374 13.624 ( -0.804 9.968 -10.778) 14.703 13.832 ( -8.416 -2.855 -7.900) 11.891 14.165 ( 7.516 -0.776 7.369) 10.554 14.432 ( 1.338 3.638 7.782) 8.694 14.809 ( -2.779 16.884 -5.291) 17.911 15.296 ( -0.020 13.109 -17.051) 21.508 15.601 ( 3.602 -1.068 7.341) 8.247 15.842 ( 8.217 -3.519 3.916) 9.758 16.242 ( 0.592 6.169 -3.174) 6.962 16.837 ( 2.758 -2.082 -3.605) 4.993 19.557 ( 1.000 -1.488 2.848) 3.365 19.799 ( -3.197 -5.332 5.572) 8.348 19.923 ( -0.893 5.190 3.284) 6.206 20.175 ( -22.229 -2.997 15.565) 27.301 21.124 ( 14.513 -23.425 24.889) 37.133 21.358 ( -1.874 -10.723 5.651) 12.265 21.497 ( 1.081 -0.230 10.509) 10.567 21.612 ( -1.118 2.550 3.661) 4.599 22.552 ( -1.132 -6.113 -0.625) 6.249 22.756 ( 1.808 -5.352 -1.871) 5.951 23.339 ( -0.319 4.072 -0.159) 4.088 23.434 ( 0.524 9.776 -4.107) 10.617 24.075 ( -3.757 4.688 -13.619) 14.885 24.314 ( 5.483 0.779 -5.620) 7.890 24.570 ( 1.300 13.845 -9.220) 16.684 24.822 ( 2.889 8.823 -8.963) 12.905 ======================= Grid point 41 (19/84) ======================= q-point: ( 0.20 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 14.142 7.512 20.843) 26.284 1.019 ( 7.236 15.348 22.213) 27.953 1.805 ( 11.511 32.739 13.098) 37.093 2.144 ( -0.587 6.683 3.571) 7.600 2.253 ( -1.044 4.888 10.660) 11.774 2.466 ( -7.334 7.754 4.196) 11.468 2.483 ( -4.254 6.386 1.536) 7.825 2.685 ( -1.806 0.014 12.280) 12.412 2.770 ( -2.908 11.972 3.147) 12.716 2.900 ( -2.054 -2.834 0.890) 3.611 2.969 ( 0.830 5.847 -2.167) 6.290 3.077 ( -10.183 -3.645 -1.829) 10.969 3.373 ( -5.342 6.790 -3.998) 9.520 3.514 ( 2.965 -0.991 1.175) 3.340 3.610 ( 1.521 -0.725 3.517) 3.900 3.680 ( -1.879 5.706 -2.346) 6.450 3.795 ( -3.059 -4.039 -3.251) 6.020 3.960 ( 0.645 -4.355 -0.406) 4.421 4.015 ( -9.516 -0.738 3.423) 10.140 4.095 ( -1.842 -0.687 -0.805) 2.125 4.391 ( -2.355 1.574 -5.923) 6.565 4.544 ( 1.817 8.741 -1.849) 9.117 4.727 ( 2.223 2.266 4.996) 5.919 4.826 ( -7.819 -4.460 3.117) 9.526 4.883 ( 2.300 -2.201 -2.168) 3.852 5.110 ( 0.566 -0.582 2.182) 2.328 5.279 ( 6.176 -4.290 5.339) 9.223 5.338 ( -7.782 -2.958 -2.507) 8.694 5.440 ( -1.852 4.299 -1.258) 4.847 5.504 ( 5.294 2.517 -6.332) 8.629 5.847 ( 2.501 -6.325 -0.598) 6.828 6.068 ( 5.910 4.831 4.244) 8.734 6.147 ( 6.117 -6.046 -2.335) 8.912 6.409 ( 2.731 -2.655 1.711) 4.175 6.481 ( -1.331 -3.412 6.481) 7.444 6.580 ( 2.684 -7.536 0.657) 8.027 6.801 ( -3.917 4.568 -4.808) 7.702 6.812 ( -2.169 -5.268 5.849) 8.165 6.922 ( -0.624 -0.265 -0.764) 1.021 7.243 ( -6.123 4.924 -2.722) 8.316 7.629 ( 1.543 2.891 -3.827) 5.038 7.724 ( -2.999 2.335 -4.499) 5.890 8.066 ( -3.140 -1.929 1.924) 4.157 8.301 ( 4.518 1.427 -2.181) 5.215 8.362 ( 0.833 0.806 -3.753) 3.928 8.518 ( 0.383 -2.033 1.908) 2.814 8.569 ( -2.861 -2.315 -1.736) 4.069 8.848 ( -1.068 -1.303 -2.603) 3.101 9.051 ( 0.698 2.663 1.428) 3.101 9.111 ( -3.950 3.145 -1.225) 5.196 9.573 ( 3.516 -2.220 0.254) 4.166 9.765 ( -6.016 1.328 12.406) 13.852 9.853 ( 1.253 0.086 4.266) 4.447 10.491 ( -4.662 -0.761 -0.792) 4.790 10.572 ( -4.291 1.448 0.044) 4.529 10.639 ( 1.220 3.997 -4.943) 6.473 10.681 ( 0.025 3.353 -4.776) 5.836 10.944 ( 0.880 -2.600 -2.930) 4.015 11.078 ( 3.540 2.939 -3.964) 6.073 11.454 ( -2.025 -9.356 -2.279) 9.840 11.591 ( 11.868 -4.315 7.629) 14.753 11.668 ( 3.458 -0.092 3.104) 4.648 11.758 ( 5.546 -4.425 -6.089) 9.350 12.066 ( -5.618 -8.505 0.697) 10.217 12.213 ( -10.001 -2.809 -4.202) 11.206 12.421 ( -4.579 4.504 -0.083) 6.424 12.759 ( 2.891 -0.209 -3.855) 4.824 12.791 ( 7.683 -9.798 3.928) 13.056 13.245 ( -4.572 -3.354 -0.538) 5.695 13.427 ( 3.098 -2.748 -0.081) 4.142 13.619 ( 3.004 4.324 -8.386) 9.902 13.719 ( -0.536 -3.404 -4.656) 5.792 14.278 ( -1.536 3.835 12.231) 12.909 14.562 ( 7.026 5.692 -3.884) 9.841 14.774 ( 1.135 11.588 -2.209) 11.852 15.263 ( 0.981 12.949 -10.372) 16.620 15.644 ( 0.046 -2.701 11.051) 11.376 15.972 ( 1.129 -13.602 -3.388) 14.063 16.217 ( -1.855 5.307 -2.728) 6.249 16.908 ( 3.275 1.390 -5.761) 6.771 19.579 ( -0.623 -0.923 3.473) 3.647 19.692 ( -3.662 -2.708 6.328) 7.797 19.915 ( -0.224 5.708 1.898) 6.020 20.046 ( 0.611 5.451 12.458) 13.612 21.330 ( -1.325 -9.311 3.489) 10.031 21.365 ( 1.457 -21.536 14.944) 26.254 21.583 ( 0.194 -3.395 8.916) 9.542 21.619 ( 2.287 -4.791 6.040) 8.041 22.518 ( -1.153 -2.969 -0.621) 3.245 22.824 ( 4.063 -11.376 -2.182) 12.276 23.327 ( -0.891 5.417 -0.290) 5.497 23.392 ( -2.821 10.671 -3.438) 11.561 23.950 ( -3.351 5.436 -6.808) 9.335 24.327 ( -1.409 1.839 -3.548) 4.237 24.565 ( 0.959 13.233 -7.789) 15.384 24.751 ( -4.041 6.868 -3.376) 8.654 ======================= Grid point 42 (20/84) ======================= q-point: ( 0.40 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 1.577 11.057 27.545) 29.723 1.414 ( 21.836 1.577 14.169) 26.078 1.870 ( -22.921 0.435 3.360) 23.170 1.929 ( -0.628 12.216 9.808) 15.679 2.279 ( 4.686 2.985 -4.884) 7.398 2.419 ( -1.763 6.631 0.268) 6.866 2.557 ( 2.472 8.148 12.028) 14.737 2.700 ( -4.466 4.171 1.747) 6.356 2.740 ( -6.346 6.376 2.493) 9.335 2.815 ( 3.158 13.833 5.738) 15.305 2.915 ( 1.162 2.625 2.971) 4.132 2.944 ( -1.512 10.190 2.899) 10.702 3.323 ( -0.078 4.467 -3.761) 5.840 3.571 ( -0.016 0.782 -2.546) 2.663 3.607 ( -3.512 7.031 0.744) 7.895 3.618 ( -1.757 -0.414 3.797) 4.205 3.716 ( -6.200 0.922 1.936) 6.560 3.811 ( -1.298 -6.026 -0.069) 6.165 3.967 ( -0.171 -9.715 -3.554) 10.346 4.069 ( 0.194 -2.221 -0.117) 2.233 4.399 ( 1.952 7.052 -6.395) 9.718 4.570 ( 4.642 10.098 1.784) 11.256 4.680 ( -5.537 -7.942 2.914) 10.111 4.811 ( 3.511 -1.658 2.861) 4.823 4.938 ( 2.467 3.023 0.979) 4.023 5.042 ( -5.534 -1.318 1.921) 6.004 5.141 ( -8.078 1.412 -1.022) 8.264 5.333 ( -1.339 7.024 3.731) 8.065 5.478 ( 2.746 -5.701 -2.773) 6.909 5.564 ( 2.427 -0.614 -10.421) 10.717 5.892 ( 1.048 -6.997 1.846) 7.312 6.158 ( 0.398 1.862 -0.102) 1.907 6.296 ( 5.421 -8.582 -0.618) 10.170 6.465 ( -0.707 -4.483 6.368) 7.820 6.545 ( 5.978 -3.399 5.189) 8.615 6.608 ( -0.105 -2.829 -1.063) 3.024 6.686 ( -0.890 -0.752 -1.120) 1.616 6.839 ( 0.399 -2.298 2.905) 3.726 6.903 ( -1.875 1.723 -0.364) 2.572 7.070 ( -6.886 4.757 2.523) 8.741 7.555 ( -2.647 4.253 -2.543) 5.618 7.758 ( 3.439 0.491 -6.612) 7.469 8.046 ( 0.716 -2.879 -2.179) 3.681 8.355 ( 2.340 -1.714 -2.678) 3.948 8.400 ( 2.419 3.080 -1.953) 4.376 8.490 ( -2.588 -4.317 4.579) 6.804 8.645 ( 7.434 -0.738 -2.945) 8.030 8.774 ( -4.485 2.183 -3.381) 6.026 9.032 ( -0.817 1.217 -1.789) 2.313 9.087 ( 0.295 2.099 0.896) 2.301 9.626 ( 0.984 -2.612 1.734) 3.286 9.726 ( -1.211 5.509 7.724) 9.564 9.838 ( -3.572 3.082 3.572) 5.917 10.412 ( -2.648 -5.231 -2.517) 6.381 10.516 ( -1.001 0.987 -0.801) 1.618 10.639 ( 1.008 0.094 -1.358) 1.694 10.703 ( 2.166 8.406 -2.341) 8.991 11.002 ( 4.727 -3.749 -3.060) 6.765 11.151 ( 3.368 -0.445 -4.861) 5.930 11.442 ( 0.209 -7.762 -0.311) 7.771 11.647 ( -3.888 -3.628 -5.461) 7.622 11.735 ( -2.727 0.006 -3.786) 4.666 11.874 ( -1.756 -3.031 -0.052) 3.503 11.918 ( -0.269 -1.625 -0.061) 1.649 12.115 ( 5.033 -8.960 -2.564) 10.592 12.349 ( -2.807 -2.236 5.798) 6.819 12.750 ( -0.925 3.469 -3.251) 4.844 12.899 ( 1.461 -9.811 2.242) 10.170 13.195 ( 0.299 0.096 1.149) 1.191 13.490 ( 2.137 -1.400 0.194) 2.562 13.670 ( 3.277 2.234 -7.116) 8.146 13.729 ( 1.833 -6.113 -1.066) 6.471 14.221 ( -5.927 2.455 11.085) 12.808 14.660 ( 4.005 15.351 -4.194) 16.410 14.816 ( 1.782 6.274 -0.591) 6.549 15.254 ( 0.653 12.690 -10.007) 16.174 15.679 ( -0.753 -1.638 10.403) 10.558 15.922 ( -3.081 -13.717 -4.595) 14.790 16.171 ( -1.126 4.900 -0.758) 5.084 16.927 ( 0.495 3.279 -5.769) 6.654 19.549 ( -2.351 -0.898 4.552) 5.201 19.705 ( 1.811 -3.430 2.119) 4.420 19.920 ( 0.052 5.399 1.779) 5.685 20.144 ( 3.901 2.676 14.754) 15.494 21.297 ( -2.508 -11.780 2.143) 12.233 21.400 ( -1.193 -14.029 11.002) 17.869 21.562 ( -2.499 0.911 2.902) 3.937 21.677 ( -0.354 -8.284 8.303) 11.734 22.507 ( 0.148 -0.815 0.244) 0.864 22.887 ( 2.040 -18.185 -4.844) 18.929 23.279 ( -2.129 16.409 -0.266) 16.549 23.352 ( -0.250 4.656 0.224) 4.668 23.902 ( -0.053 4.328 -2.766) 5.137 24.276 ( -1.860 2.142 -2.862) 4.030 24.569 ( 1.432 10.822 -6.843) 12.884 24.683 ( -1.548 7.097 -2.731) 7.760 ======================= Grid point 43 (21/84) ======================= q-point: (-0.40 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -9.831 9.969 24.228) 27.982 1.263 ( -27.474 1.481 6.925) 28.372 1.899 ( 10.956 4.509 11.275) 16.355 2.000 ( 6.823 9.809 7.468) 14.090 2.351 ( -1.708 5.383 -2.266) 6.085 2.388 ( -12.810 16.146 4.849) 21.173 2.469 ( -0.384 9.422 2.124) 9.666 2.604 ( 2.987 0.049 3.859) 4.881 2.696 ( -3.082 7.899 4.172) 9.450 2.729 ( 1.279 10.317 -0.258) 10.399 3.007 ( 6.899 0.594 2.631) 7.408 3.145 ( 3.269 8.666 10.655) 14.118 3.315 ( 1.285 5.613 -4.190) 7.122 3.488 ( -3.065 -0.134 -2.448) 3.925 3.572 ( -0.007 0.329 -3.060) 3.078 3.599 ( -0.660 1.601 1.618) 2.370 3.692 ( 5.815 -1.055 1.471) 6.090 3.880 ( 1.836 1.708 3.122) 4.004 3.980 ( 2.654 -8.390 -0.925) 8.848 4.153 ( 7.550 -5.775 2.817) 9.914 4.385 ( -0.639 6.023 -6.997) 9.254 4.594 ( -3.261 -10.359 0.279) 10.864 4.685 ( 1.435 11.508 3.689) 12.170 4.921 ( 2.331 -0.697 7.747) 8.120 4.955 ( -4.311 6.108 3.653) 8.321 4.969 ( 3.301 -2.353 -0.257) 4.062 5.067 ( 4.381 -0.465 -5.346) 6.927 5.289 ( -3.221 4.173 -1.776) 5.563 5.465 ( -1.871 -6.760 -2.689) 7.512 5.554 ( -0.715 -1.317 -6.382) 6.555 5.899 ( -1.034 -7.386 1.745) 7.659 6.079 ( -5.526 2.253 -3.074) 6.713 6.345 ( 0.379 -6.314 0.765) 6.371 6.464 ( -5.368 -4.458 5.475) 8.870 6.484 ( -4.853 -4.800 2.963) 7.442 6.700 ( 1.080 -2.421 -0.569) 2.712 6.739 ( 3.701 -0.135 5.010) 6.231 6.832 ( -0.748 3.685 0.892) 3.864 6.876 ( 3.217 1.990 -0.837) 3.874 7.036 ( 1.276 0.719 0.978) 1.761 7.572 ( 4.712 5.007 -1.882) 7.128 7.759 ( -2.000 0.335 -4.793) 5.204 8.070 ( 2.528 -2.493 -5.400) 6.463 8.381 ( -0.343 -3.351 1.702) 3.774 8.461 ( 3.497 0.350 1.098) 3.682 8.479 ( 0.206 -1.989 1.911) 2.766 8.646 ( -3.579 0.851 -2.756) 4.597 8.803 ( 5.525 1.773 -1.387) 5.966 9.049 ( 1.797 1.500 -1.397) 2.727 9.081 ( -0.289 0.185 0.856) 0.922 9.608 ( -2.607 -1.799 0.185) 3.173 9.702 ( -4.273 2.792 3.760) 6.340 9.817 ( 2.819 4.469 8.111) 9.680 10.363 ( -0.407 -5.267 -4.661) 7.045 10.512 ( 1.113 1.715 -0.838) 2.210 10.681 ( 2.760 0.663 0.298) 2.854 10.779 ( 5.026 6.856 1.952) 8.722 11.105 ( 4.659 -1.612 1.810) 5.251 11.152 ( -3.175 -7.721 -6.774) 10.751 11.331 ( -8.073 -2.494 -3.068) 8.989 11.497 ( -8.357 -3.782 -10.667) 14.069 11.687 ( -1.507 0.346 -11.732) 11.834 11.695 ( -1.968 -3.489 -1.988) 4.472 12.062 ( 4.976 -2.754 7.468) 9.387 12.263 ( 7.132 -5.215 -3.828) 9.629 12.327 ( -0.990 -7.690 8.368) 11.408 12.735 ( 0.338 6.481 -2.761) 7.053 12.877 ( -3.911 -9.311 0.947) 10.143 13.252 ( 3.491 -1.819 3.018) 4.960 13.499 ( -1.623 -1.492 -0.309) 2.226 13.701 ( 1.827 4.833 -9.338) 10.672 13.792 ( 3.654 -6.136 3.036) 7.760 14.128 ( -4.771 0.490 9.320) 10.481 14.710 ( -0.184 2.859 -5.364) 6.082 14.833 ( 0.944 20.998 2.794) 21.204 15.225 ( 0.467 11.521 -11.523) 16.301 15.637 ( -5.238 -3.277 3.100) 6.913 15.856 ( -2.034 -7.689 -1.100) 8.029 16.177 ( 1.614 4.818 -0.429) 5.099 16.901 ( -1.123 1.721 -5.834) 6.185 19.525 ( -0.960 -1.278 3.540) 3.884 19.752 ( 1.670 -3.435 2.599) 4.620 19.926 ( -0.227 4.898 2.779) 5.636 20.307 ( 6.048 -3.216 21.493) 22.558 21.204 ( -7.447 -15.852 -1.955) 17.623 21.397 ( -1.948 -11.617 9.564) 15.173 21.507 ( -3.030 1.029 3.797) 4.965 21.667 ( -2.312 -2.928 6.595) 7.577 22.521 ( 0.907 -0.246 0.929) 1.322 22.862 ( -2.454 -17.042 -5.742) 18.150 23.292 ( 2.959 16.729 -0.043) 16.988 23.358 ( 0.640 4.236 0.530) 4.317 23.926 ( 3.597 6.365 -2.893) 7.863 24.234 ( -1.107 0.712 -3.880) 4.097 24.576 ( 0.961 9.564 -6.872) 11.816 24.665 ( 0.941 9.199 -2.815) 9.666 ======================= Grid point 44 (22/84) ======================= q-point: (-0.20 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -15.282 11.977 11.040) 22.335 0.993 ( -12.642 17.124 20.364) 29.458 1.779 ( -21.675 39.959 12.577) 47.167 2.093 ( 0.184 6.221 8.663) 10.667 2.225 ( 1.983 10.887 9.097) 14.326 2.410 ( 5.996 0.192 0.708) 6.041 2.586 ( 4.402 1.133 5.424) 7.077 2.685 ( -0.571 3.627 4.871) 6.100 2.744 ( 5.988 7.102 0.002) 9.290 2.785 ( 3.491 3.583 2.680) 5.675 3.115 ( -5.047 3.333 5.790) 8.373 3.174 ( 4.686 -1.164 -0.131) 4.830 3.371 ( 3.321 5.745 -1.076) 6.723 3.488 ( 3.104 -0.850 -3.111) 4.476 3.552 ( -0.761 -2.175 -2.950) 3.744 3.628 ( 5.201 2.653 -0.241) 5.843 3.842 ( 4.958 -2.842 4.704) 7.402 3.959 ( 4.628 1.948 3.105) 5.904 4.028 ( 1.056 -3.791 -0.867) 4.030 4.285 ( 0.207 -1.312 4.818) 4.998 4.361 ( -1.120 5.715 -9.000) 10.720 4.485 ( -3.830 -1.172 -1.854) 4.413 4.697 ( 0.067 -2.183 3.156) 3.838 4.877 ( -0.965 4.979 1.820) 5.388 4.990 ( 2.101 -5.226 9.470) 11.018 5.067 ( -5.900 -6.431 -7.604) 11.575 5.075 ( 2.999 4.660 1.784) 5.822 5.304 ( 7.586 -2.212 -4.715) 9.202 5.407 ( -3.486 -1.322 -0.692) 3.791 5.536 ( 0.988 -1.072 -1.276) 1.937 5.866 ( -1.496 -3.248 -0.015) 3.576 5.964 ( -4.113 3.856 -0.846) 5.701 6.249 ( -9.626 -4.214 1.169) 10.573 6.361 ( 0.757 -5.660 3.075) 6.486 6.475 ( -0.640 -3.422 5.396) 6.421 6.643 ( -6.422 -2.150 2.741) 7.306 6.733 ( -0.889 -1.647 2.016) 2.751 6.925 ( 4.357 1.651 -4.445) 6.440 7.004 ( 8.099 5.938 2.912) 10.456 7.048 ( 0.623 3.230 -5.697) 6.579 7.663 ( -4.506 2.759 -2.260) 5.746 7.711 ( 7.190 2.306 -1.801) 7.763 8.121 ( 3.742 -1.856 -6.380) 7.626 8.328 ( -5.526 0.967 -3.129) 6.423 8.444 ( -2.267 -3.761 2.669) 5.139 8.534 ( 2.078 -1.543 4.541) 5.227 8.697 ( 6.316 -2.966 3.224) 7.686 8.836 ( -2.380 0.440 -4.964) 5.523 9.023 ( -1.241 1.891 1.892) 2.949 9.167 ( 5.236 -0.340 0.692) 5.293 9.537 ( -3.682 -1.357 -0.697) 3.985 9.666 ( 2.209 1.425 -2.395) 3.557 9.941 ( 1.798 -7.568 20.707) 22.120 10.407 ( 7.071 -1.369 -5.582) 9.112 10.595 ( 7.906 3.290 3.976) 9.441 10.743 ( 2.364 2.705 0.821) 3.685 10.889 ( -0.321 0.938 4.456) 4.565 10.945 ( -8.844 -3.057 -3.440) 9.970 11.224 ( -7.276 -4.348 -10.083) 13.173 11.231 ( 5.387 0.452 4.553) 7.068 11.265 ( 0.589 -3.765 -8.906) 9.687 11.615 ( -0.436 -3.203 -2.854) 4.312 11.682 ( -2.100 -5.346 -10.028) 11.557 12.177 ( 2.989 -4.009 9.814) 11.014 12.296 ( 0.251 3.032 -2.496) 3.935 12.425 ( 4.037 -5.025 1.499) 6.618 12.685 ( -5.494 -3.905 -3.109) 7.423 12.771 ( -4.439 -0.141 -1.031) 4.559 13.329 ( 2.268 -6.009 2.407) 6.859 13.429 ( -3.540 -1.212 -2.625) 4.571 13.684 ( -0.650 8.634 -10.531) 13.634 13.891 ( 3.932 -3.209 2.593) 5.699 14.096 ( -0.981 -5.292 6.297) 8.283 14.555 ( -10.955 -1.270 -3.066) 11.447 14.872 ( -0.332 21.410 -0.979) 21.434 15.268 ( 8.147 17.839 -15.810) 25.191 15.516 ( -4.080 -3.471 0.983) 5.447 15.804 ( -3.204 -1.617 5.127) 6.258 16.219 ( 2.014 5.655 -1.485) 6.184 16.849 ( -1.666 -1.524 -4.964) 5.453 19.530 ( 0.465 -1.467 2.922) 3.302 19.791 ( 0.980 -3.503 3.911) 5.341 19.927 ( -0.569 4.992 3.578) 6.168 20.525 ( 1.552 -24.815 29.256) 38.394 20.928 ( -12.736 -5.517 -0.730) 13.898 21.380 ( -2.025 -10.594 7.662) 13.231 21.476 ( -1.378 0.705 7.566) 7.723 21.634 ( -2.121 1.130 5.077) 5.617 22.548 ( 1.099 -2.665 0.753) 2.980 22.781 ( -2.710 -9.927 -4.031) 11.052 23.339 ( 0.575 6.447 -0.057) 6.473 23.400 ( 3.171 10.290 -2.592) 11.075 24.074 ( 11.207 11.476 -11.044) 19.475 24.197 ( -0.840 -1.763 -2.345) 3.052 24.570 ( 0.947 10.914 -8.002) 13.566 24.714 ( 4.736 11.524 -2.935) 12.801 ======================= Grid point 45 (23/84) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 3.282 25.927 6.412) 26.909 1.290 ( -5.983 24.193 9.556) 26.691 2.189 ( 0.986 -0.225 1.510) 1.818 2.365 ( -5.370 11.695 7.958) 15.131 2.398 ( 0.884 15.209 10.650) 18.588 2.528 ( 0.514 -1.391 5.455) 5.653 2.724 ( -1.118 5.426 3.747) 6.688 2.802 ( -1.331 17.180 3.996) 17.688 2.957 ( -3.005 -0.094 -1.766) 3.486 3.005 ( 2.357 8.333 -2.059) 8.902 3.095 ( 0.942 5.534 1.802) 5.896 3.189 ( -4.128 4.796 -1.892) 6.605 3.343 ( 3.082 -3.648 0.536) 4.805 3.462 ( 0.889 2.021 1.050) 2.445 3.619 ( -0.229 -1.476 3.138) 3.475 3.715 ( 1.147 -4.002 3.761) 5.610 3.888 ( -2.417 -5.598 -1.515) 6.283 4.038 ( 0.249 5.422 1.582) 5.653 4.094 ( -2.489 4.327 -4.297) 6.586 4.223 ( -3.016 6.565 -2.253) 7.568 4.375 ( -3.661 -0.683 3.474) 5.093 4.646 ( 1.826 1.785 2.356) 3.474 4.655 ( 7.362 1.531 3.128) 8.144 4.792 ( 2.646 -3.530 5.083) 6.730 4.888 ( 2.493 -1.987 0.923) 3.319 4.946 ( 0.720 -1.074 6.038) 6.175 5.253 ( -0.772 4.312 -5.877) 7.330 5.329 ( 0.067 -0.893 2.629) 2.777 5.504 ( -2.233 3.557 -2.295) 4.786 5.545 ( 2.936 3.191 -1.204) 4.500 5.695 ( -1.310 -7.755 0.472) 7.879 6.001 ( -1.998 -4.538 -3.003) 5.797 6.174 ( 1.532 11.170 0.606) 11.291 6.265 ( 0.798 -4.192 -0.110) 4.269 6.399 ( -0.665 -4.582 4.538) 6.483 6.527 ( -2.495 0.745 1.783) 3.156 6.657 ( -0.326 -5.419 6.062) 8.137 6.838 ( -1.240 -6.848 0.134) 6.961 7.046 ( -3.690 -1.375 -5.250) 6.563 7.209 ( 5.216 -6.684 -6.934) 10.953 7.706 ( -0.378 5.352 -0.830) 5.429 7.806 ( 0.091 2.305 -2.760) 3.597 8.184 ( -2.405 1.139 1.646) 3.130 8.221 ( 0.242 -0.247 1.061) 1.116 8.359 ( 0.281 -0.281 -4.374) 4.392 8.507 ( -1.047 -1.149 0.832) 1.763 8.624 ( -4.368 -4.201 0.813) 6.114 8.727 ( 1.947 -5.621 -1.338) 6.097 9.065 ( 1.143 0.948 3.979) 4.247 9.239 ( -0.535 -1.217 0.688) 1.497 9.511 ( -0.244 4.401 -5.510) 7.056 9.765 ( 3.701 0.220 -1.703) 4.080 9.885 ( -1.873 6.143 8.439) 10.605 10.514 ( 4.218 -3.038 -2.943) 5.974 10.664 ( -3.757 -0.476 -1.770) 4.180 10.708 ( -2.193 -2.893 -2.345) 4.322 10.782 ( -5.347 0.993 -3.739) 6.599 10.905 ( 0.747 -1.287 -1.660) 2.229 11.041 ( 4.906 -1.497 -2.994) 5.939 11.232 ( 7.464 -1.399 0.110) 7.595 11.342 ( -3.513 -9.341 0.220) 9.982 11.499 ( 7.398 -5.146 -4.922) 10.268 11.620 ( 1.242 2.309 4.759) 5.433 12.029 ( -6.166 -7.866 4.270) 10.869 12.395 ( -7.023 1.707 0.385) 7.238 12.484 ( 9.282 1.296 4.409) 10.358 12.616 ( 0.777 1.922 -4.369) 4.835 12.686 ( -1.183 -3.864 -2.936) 4.995 13.235 ( 0.299 -3.976 -0.023) 3.988 13.244 ( -1.871 -4.033 -0.255) 4.453 13.678 ( -2.084 -1.124 -5.348) 5.849 13.777 ( -6.068 -1.644 -6.524) 9.060 14.240 ( 8.144 6.141 6.375) 12.028 14.520 ( -1.060 1.883 2.861) 3.586 15.162 ( 0.657 14.884 -7.519) 16.688 15.477 ( 1.409 6.569 -8.184) 10.589 15.578 ( -0.125 -0.936 5.293) 5.377 15.773 ( -1.003 -2.934 4.007) 5.067 16.372 ( 0.410 5.873 -3.935) 7.082 16.758 ( 3.029 -5.362 -2.943) 6.825 19.529 ( 0.475 -0.871 4.149) 4.266 19.671 ( -2.383 -5.665 8.093) 10.162 20.065 ( -0.162 7.868 1.301) 7.976 20.203 ( -4.501 3.791 9.878) 11.498 20.882 ( 2.096 -5.421 11.841) 13.190 21.129 ( -1.582 -11.304 4.109) 12.131 21.511 ( -0.106 1.374 8.473) 8.584 21.636 ( -1.412 -0.340 4.820) 5.033 22.435 ( -0.572 -3.941 -0.063) 3.983 22.620 ( 0.281 -6.922 0.283) 6.933 23.439 ( -0.468 5.114 -0.239) 5.141 23.556 ( 0.168 3.412 -0.523) 3.456 24.096 ( -2.435 -0.134 -6.462) 6.907 24.233 ( 3.310 -5.079 -2.426) 6.530 24.837 ( 1.548 10.475 -7.006) 12.696 25.002 ( 1.139 6.471 -10.401) 12.302 ======================= Grid point 46 (24/84) ======================= q-point: ( 0.20 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.349 21.372 9.349) 23.330 1.404 ( 3.768 19.739 13.956) 24.466 2.191 ( -2.338 5.039 7.772) 9.553 2.279 ( -10.019 1.593 2.589) 10.470 2.337 ( -5.673 1.930 -0.792) 6.044 2.551 ( 0.458 -1.686 5.019) 5.314 2.674 ( -3.035 4.803 5.034) 7.591 2.792 ( -3.820 7.966 -1.330) 8.934 2.901 ( -2.663 4.001 4.169) 6.363 3.025 ( 1.421 10.915 2.899) 11.382 3.066 ( 2.453 13.602 -0.123) 13.822 3.213 ( 2.114 12.388 -1.252) 12.630 3.396 ( 2.359 -2.655 -0.823) 3.646 3.493 ( 2.364 -2.624 2.721) 4.459 3.615 ( -1.220 1.503 4.614) 5.003 3.713 ( -2.669 -7.680 -1.891) 8.348 3.812 ( -3.413 -6.750 -2.086) 7.846 3.876 ( -6.868 14.404 -1.720) 16.051 4.050 ( -3.735 5.525 3.898) 7.725 4.118 ( -3.859 3.832 3.526) 6.482 4.458 ( 6.596 4.425 -3.380) 8.632 4.611 ( -5.029 -0.428 2.297) 5.546 4.728 ( -1.396 -5.195 4.381) 6.938 4.875 ( -1.714 4.679 -0.903) 5.064 4.940 ( 5.554 6.780 5.890) 10.560 5.124 ( 4.852 1.552 4.434) 6.754 5.201 ( 0.919 -0.560 -3.794) 3.943 5.257 ( -5.559 -2.971 2.006) 6.615 5.507 ( 3.841 1.051 -0.321) 3.995 5.575 ( 0.334 3.231 -3.302) 4.632 5.682 ( -0.185 -7.297 1.412) 7.434 5.995 ( 2.563 -6.784 -3.321) 7.976 6.223 ( 1.725 8.015 2.195) 8.487 6.284 ( 1.363 -5.931 -0.181) 6.089 6.389 ( -1.364 -5.213 4.293) 6.890 6.551 ( 3.978 2.197 -0.405) 4.562 6.672 ( -1.534 -6.996 4.843) 8.646 6.794 ( -1.645 -4.428 -1.093) 4.849 6.926 ( -4.510 -1.804 -1.823) 5.188 7.208 ( -3.372 -6.925 -2.828) 8.205 7.723 ( 1.422 4.528 -2.608) 5.415 7.757 ( -2.695 1.825 -3.493) 4.775 8.060 ( -5.346 1.579 3.073) 6.365 8.282 ( 1.012 -2.836 -3.618) 4.707 8.393 ( 3.935 1.676 -2.813) 5.119 8.504 ( -1.492 0.589 0.523) 1.687 8.526 ( 0.612 -1.157 -0.451) 1.385 8.772 ( 1.333 -5.652 -2.904) 6.493 9.099 ( 0.124 1.334 4.837) 5.019 9.163 ( -4.794 1.171 -0.435) 4.954 9.549 ( 3.690 0.834 -4.245) 5.686 9.826 ( 2.090 -2.840 0.789) 3.613 9.897 ( 0.296 10.383 6.279) 12.138 10.441 ( -6.097 -3.188 -0.062) 6.880 10.592 ( -3.027 0.806 -1.458) 3.456 10.685 ( -2.211 0.277 -5.067) 5.535 10.755 ( 5.559 2.079 -6.167) 8.559 10.901 ( 0.593 -1.669 -3.832) 4.222 11.124 ( 2.084 1.027 -2.696) 3.559 11.280 ( 0.203 -5.000 -0.845) 5.075 11.481 ( 11.761 -5.178 7.778) 15.021 11.607 ( 1.920 -5.608 -2.568) 6.460 11.701 ( 5.733 -0.860 4.378) 7.265 11.884 ( -5.998 -8.298 -0.231) 10.242 12.161 ( -13.435 -1.428 -4.016) 14.095 12.420 ( -9.766 -4.368 3.411) 11.229 12.707 ( 7.884 1.459 1.820) 8.222 12.804 ( 4.507 2.127 -4.193) 6.513 13.200 ( -0.700 -0.620 -0.232) 0.963 13.330 ( 6.286 -5.369 -0.407) 8.277 13.620 ( -0.890 -2.459 -4.596) 5.288 13.649 ( -3.112 -1.664 -4.257) 5.529 14.399 ( 0.459 6.050 7.660) 9.772 14.562 ( 6.226 -0.709 -1.916) 6.553 15.174 ( 2.097 18.135 -7.098) 19.587 15.498 ( 2.008 9.189 -7.315) 11.916 15.587 ( 0.445 -2.387 9.268) 9.580 15.737 ( -3.036 -8.098 0.966) 8.702 16.349 ( -1.253 6.892 -3.129) 7.672 16.857 ( 5.409 -5.783 -4.198) 8.962 19.548 ( -0.308 -1.489 4.849) 5.082 19.629 ( -2.912 -3.196 7.023) 8.247 20.066 ( 0.035 8.149 0.227) 8.152 20.179 ( -0.545 6.396 9.247) 11.257 20.978 ( 1.921 -11.953 12.518) 17.414 21.108 ( -1.100 -11.256 3.468) 11.829 21.548 ( 0.735 -0.040 8.988) 9.018 21.619 ( -1.331 -0.492 3.821) 4.076 22.429 ( 0.284 -3.875 -0.234) 3.892 22.607 ( -1.468 -8.545 0.059) 8.670 23.432 ( -0.004 5.079 -0.261) 5.086 23.546 ( -0.821 4.181 -0.882) 4.351 24.025 ( -1.952 2.494 -5.209) 6.096 24.258 ( 0.020 -5.278 -2.429) 5.810 24.841 ( 0.848 10.623 -6.666) 12.570 24.939 ( -2.966 8.558 -7.939) 12.044 ======================= Grid point 47 (25/84) ======================= q-point: ( 0.40 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.904 11.243 12.298) 18.893 1.555 ( 8.517 12.282 14.608) 20.899 1.865 ( -22.915 -0.445 3.384) 23.167 2.165 ( -2.118 8.391 11.008) 14.003 2.329 ( 3.806 1.260 -5.066) 6.461 2.574 ( -0.500 4.769 2.011) 5.200 2.617 ( -5.350 -1.650 1.120) 5.709 2.711 ( -2.491 0.983 1.058) 2.880 2.737 ( -3.822 -0.895 7.274) 8.266 3.065 ( 0.986 11.567 -1.672) 11.729 3.198 ( 2.451 13.881 2.878) 14.387 3.257 ( 3.884 10.746 -0.916) 11.462 3.458 ( 0.535 -1.532 -4.580) 4.859 3.527 ( -1.870 -4.194 0.759) 4.654 3.625 ( -1.706 -1.679 -3.168) 3.971 3.683 ( 2.627 2.906 -0.795) 3.998 3.754 ( 2.312 2.945 9.998) 10.676 3.816 ( 1.165 10.601 2.571) 10.971 3.940 ( -6.801 11.714 1.195) 13.598 4.049 ( -3.860 4.608 4.800) 7.692 4.495 ( -4.246 -0.204 -0.918) 4.349 4.515 ( -1.287 0.410 -3.437) 3.693 4.750 ( 2.535 -4.812 3.169) 6.295 4.853 ( 2.489 9.395 0.773) 9.750 4.993 ( -4.354 -1.785 4.578) 6.566 5.082 ( 0.236 6.749 1.459) 6.909 5.162 ( -3.304 0.039 -1.570) 3.658 5.343 ( 4.978 0.569 0.118) 5.012 5.484 ( -5.118 2.794 -1.223) 5.958 5.589 ( 1.169 2.776 -5.444) 6.221 5.698 ( 0.282 -9.905 3.956) 10.669 6.086 ( 4.603 -8.416 -1.773) 9.755 6.223 ( -1.693 1.054 -0.355) 2.025 6.332 ( 1.921 -6.656 2.539) 7.378 6.407 ( 1.391 -5.597 7.259) 9.272 6.562 ( -2.639 -6.034 0.403) 6.598 6.701 ( 3.950 3.135 0.366) 5.056 6.798 ( 1.893 -2.127 -0.043) 2.848 6.869 ( 0.023 -4.901 -0.307) 4.911 7.088 ( -6.913 -3.272 2.693) 8.109 7.670 ( -1.552 5.794 -2.427) 6.470 7.767 ( 1.636 0.756 -3.804) 4.210 7.995 ( -1.074 -0.860 1.029) 1.718 8.290 ( 1.832 -5.405 -2.898) 6.401 8.429 ( -2.946 0.275 2.066) 3.609 8.478 ( 3.150 3.797 -3.189) 5.875 8.633 ( 5.421 -0.608 -4.279) 6.933 8.764 ( -0.381 -3.163 -2.458) 4.024 9.063 ( -2.256 1.294 0.430) 2.637 9.113 ( -1.491 -0.029 4.700) 4.931 9.603 ( 2.112 0.838 -3.423) 4.108 9.846 ( -1.668 -0.465 3.972) 4.333 9.926 ( 1.521 9.804 0.887) 9.961 10.315 ( -5.190 -3.049 -1.200) 6.138 10.547 ( -0.815 1.899 -1.484) 2.544 10.644 ( 0.106 0.652 -2.136) 2.236 10.837 ( 3.656 -0.274 -6.999) 7.901 10.939 ( 4.282 0.633 -4.213) 6.040 11.143 ( -0.148 1.475 1.161) 1.883 11.309 ( 1.172 -3.413 -3.784) 5.228 11.554 ( -3.974 -4.993 -2.324) 6.792 11.709 ( 1.432 -2.776 -0.563) 3.174 11.782 ( -3.674 -6.562 -0.580) 7.542 11.847 ( 1.410 -6.334 -0.075) 6.490 11.924 ( 3.343 -5.246 0.412) 6.234 12.228 ( -8.381 -7.917 6.803) 13.386 12.822 ( 2.253 1.855 0.204) 2.926 12.853 ( 1.807 4.506 -3.581) 6.033 13.203 ( 0.678 0.895 0.451) 1.210 13.438 ( 2.745 -4.001 -1.089) 4.973 13.619 ( 1.693 -3.240 -1.216) 3.853 13.630 ( 1.762 -3.814 -0.327) 4.215 14.353 ( -4.503 7.914 3.928) 9.916 14.686 ( 3.748 -2.217 -2.861) 5.211 15.210 ( 3.269 17.092 -3.637) 17.778 15.475 ( -2.725 6.915 -6.941) 10.170 15.659 ( 1.465 0.650 3.607) 3.947 15.677 ( -0.553 -7.514 3.584) 8.343 16.313 ( -0.833 8.487 -1.914) 8.740 16.918 ( 1.297 -4.488 -5.828) 7.469 19.532 ( -2.344 -0.731 5.672) 6.180 19.620 ( 0.135 -3.977 5.225) 6.568 20.066 ( -0.114 7.890 0.053) 7.891 20.220 ( 1.124 4.178 9.659) 10.584 21.001 ( -2.604 -12.332 7.141) 14.486 21.120 ( 0.422 -12.119 7.249) 14.127 21.566 ( -2.061 -0.040 6.176) 6.511 21.621 ( 0.626 -1.193 5.554) 5.715 22.451 ( 1.645 -3.791 0.497) 4.162 22.563 ( -2.056 -10.859 -0.930) 11.091 23.438 ( 0.496 4.859 0.238) 4.890 23.524 ( -0.588 5.914 -0.703) 5.985 23.992 ( 0.327 3.751 -3.335) 5.030 24.235 ( -1.060 -4.128 -2.895) 5.152 24.830 ( 0.034 11.331 -7.230) 13.441 24.876 ( -0.224 9.457 -5.237) 10.813 ======================= Grid point 48 (26/84) ======================= q-point: (-0.40 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -15.866 10.412 3.988) 19.391 1.518 ( -7.471 17.534 16.574) 25.258 1.929 ( 16.181 -2.107 7.715) 18.049 2.202 ( 2.617 7.639 10.218) 13.023 2.437 ( -3.801 2.897 -0.213) 4.784 2.457 ( 4.671 -0.314 0.065) 4.682 2.635 ( 5.306 5.857 1.715) 8.087 2.685 ( -0.542 3.213 5.432) 6.334 2.845 ( 7.153 -1.290 4.842) 8.733 3.051 ( -1.903 11.685 -2.006) 12.008 3.179 ( -3.730 19.493 -0.030) 19.847 3.341 ( -0.351 5.395 2.646) 6.019 3.422 ( -1.043 -3.031 -3.407) 4.678 3.484 ( -4.923 -0.144 -0.916) 5.010 3.545 ( -0.139 1.112 -2.102) 2.382 3.630 ( -2.155 1.686 4.203) 5.016 3.720 ( -0.981 8.915 -2.526) 9.318 3.906 ( 2.376 1.102 4.710) 5.389 3.994 ( -0.238 6.920 3.189) 7.623 4.087 ( 10.651 5.661 6.775) 13.834 4.425 ( -1.648 -3.368 1.432) 4.013 4.492 ( 1.129 1.913 -9.202) 9.466 4.790 ( -0.250 -3.371 5.900) 6.800 4.858 ( -6.847 -1.610 2.312) 7.404 4.991 ( 6.849 2.072 1.933) 7.412 5.055 ( -4.161 -0.490 -4.460) 6.119 5.175 ( 4.534 8.229 5.449) 10.861 5.297 ( -7.136 3.599 -3.719) 8.815 5.432 ( 0.625 2.189 -2.183) 3.154 5.553 ( -2.633 0.410 -4.046) 4.845 5.714 ( 0.493 -8.228 2.390) 8.582 6.096 ( -1.447 -2.561 -1.642) 3.369 6.221 ( 1.133 -3.677 0.003) 3.848 6.360 ( -5.908 -4.321 4.587) 8.638 6.378 ( -0.321 -4.571 3.181) 5.578 6.602 ( 3.911 -6.618 3.776) 8.565 6.725 ( -0.967 -0.880 0.974) 1.630 6.870 ( 1.723 -0.671 2.363) 3.000 6.897 ( 0.165 -1.858 0.468) 1.923 7.003 ( 2.763 -3.315 -0.603) 4.358 7.689 ( 3.452 5.669 -1.538) 6.814 7.776 ( 0.074 1.259 -2.862) 3.128 8.010 ( 1.913 -1.592 0.213) 2.498 8.347 ( 3.142 -4.393 -1.087) 5.509 8.382 ( -0.955 -1.436 1.814) 2.503 8.513 ( 0.473 2.522 -2.432) 3.535 8.614 ( -3.837 -1.831 -4.309) 6.053 8.817 ( 3.560 -1.475 -1.277) 4.060 9.066 ( 0.093 -0.704 2.371) 2.475 9.088 ( 0.075 0.076 3.225) 3.227 9.615 ( 0.367 3.141 -4.926) 5.854 9.778 ( -4.988 2.974 2.739) 6.421 9.955 ( -0.209 7.770 3.158) 8.390 10.245 ( 1.046 -4.601 -4.931) 6.825 10.550 ( 1.927 2.096 -0.958) 3.004 10.690 ( 4.265 0.324 0.090) 4.278 10.879 ( 1.569 -3.778 -5.539) 6.886 11.030 ( 2.497 4.388 -4.280) 6.619 11.099 ( -2.109 -0.376 3.512) 4.114 11.265 ( -3.667 -3.100 -6.005) 7.689 11.390 ( -9.066 -5.916 -7.374) 13.098 11.610 ( -5.311 -4.760 -2.728) 7.635 11.674 ( -2.182 -1.546 -7.734) 8.183 11.959 ( 3.642 -7.123 7.558) 11.006 12.113 ( 9.035 -6.597 3.611) 11.755 12.178 ( 3.021 -6.917 5.570) 9.381 12.799 ( -4.287 1.814 -0.972) 4.756 12.871 ( 0.506 4.873 -2.763) 5.625 13.222 ( 0.639 -0.397 1.114) 1.344 13.436 ( -2.407 -4.697 -1.234) 5.420 13.659 ( 2.227 -4.048 -0.893) 4.706 13.719 ( 5.133 -2.020 3.875) 6.741 14.259 ( -4.503 8.891 0.392) 9.974 14.685 ( -2.887 -2.378 -2.141) 4.310 15.292 ( 2.651 15.795 -3.666) 16.431 15.369 ( -1.664 2.258 -4.787) 5.549 15.600 ( -3.253 1.256 -4.503) 5.695 15.756 ( 1.603 -1.022 8.447) 8.659 16.317 ( 1.699 8.318 -2.049) 8.733 16.879 ( -2.776 -4.265 -6.587) 8.324 19.506 ( -1.257 -0.340 4.741) 4.916 19.647 ( 0.542 -5.434 5.932) 8.063 20.063 ( -0.228 7.573 0.950) 7.636 20.271 ( 0.210 0.223 10.578) 10.582 20.935 ( -4.787 -8.739 5.393) 11.330 21.145 ( -0.524 -12.079 7.516) 14.236 21.527 ( -2.566 1.125 5.335) 6.025 21.649 ( -0.214 -0.951 6.219) 6.294 22.475 ( -0.825 -3.575 1.894) 4.129 22.545 ( 1.792 -10.828 -2.083) 11.171 23.449 ( 0.178 4.676 0.758) 4.740 23.526 ( 0.854 5.828 -0.528) 5.913 24.024 ( 3.644 2.944 -2.573) 5.345 24.201 ( -1.091 -3.078 -4.011) 5.172 24.813 ( 0.824 11.092 -7.360) 13.337 24.890 ( 2.714 9.820 -5.457) 11.558 ======================= Grid point 49 (27/84) ======================= q-point: (-0.20 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 1.041 23.715 5.091) 24.277 1.415 ( -7.119 21.708 14.185) 26.891 2.150 ( 2.568 -0.497 4.875) 5.533 2.335 ( 4.434 5.337 3.015) 7.565 2.402 ( 1.928 2.129 7.609) 8.133 2.529 ( -1.891 5.481 6.073) 8.397 2.690 ( 1.264 7.785 2.283) 8.211 2.838 ( 6.721 5.009 3.984) 9.281 2.896 ( -6.628 22.911 2.022) 23.936 2.965 ( 1.858 8.996 0.610) 9.206 3.130 ( -0.726 6.405 0.834) 6.500 3.291 ( -0.971 3.423 -0.623) 3.612 3.328 ( -5.406 -2.709 -1.317) 6.189 3.432 ( 0.804 -1.683 -0.229) 1.879 3.577 ( 2.296 -1.879 1.800) 3.470 3.711 ( -0.287 0.554 -0.276) 0.682 3.818 ( 11.595 0.655 2.830) 11.953 3.952 ( 1.341 3.172 3.608) 4.988 4.045 ( 4.108 4.826 -0.455) 6.354 4.241 ( 1.639 -0.842 3.663) 4.100 4.435 ( 1.347 -2.245 3.450) 4.331 4.514 ( 4.350 4.530 -10.157) 11.942 4.690 ( -7.716 0.993 4.390) 8.932 4.792 ( -2.580 -9.725 5.466) 11.451 4.927 ( -5.066 -3.145 -3.455) 6.891 5.032 ( -6.608 7.176 3.026) 10.214 5.221 ( 5.205 -2.844 -2.842) 6.577 5.286 ( 0.900 8.831 1.245) 8.964 5.444 ( 4.336 1.079 -0.145) 4.470 5.525 ( 0.741 2.901 -2.840) 4.127 5.727 ( -0.539 -7.388 1.287) 7.518 6.066 ( -1.901 -2.098 -1.523) 3.215 6.197 ( -4.161 4.866 0.855) 6.459 6.256 ( -0.518 -3.223 0.329) 3.281 6.392 ( -0.100 -4.412 4.262) 6.136 6.617 ( -4.389 -1.165 2.725) 5.296 6.678 ( -3.123 -2.899 4.692) 6.339 6.842 ( 0.266 -6.995 0.721) 7.037 7.035 ( 7.144 -3.866 1.904) 8.343 7.088 ( 4.574 -1.412 -8.221) 9.513 7.740 ( -1.408 4.394 -1.595) 4.882 7.775 ( 2.770 3.783 -1.524) 4.930 8.081 ( 4.710 -0.711 0.458) 4.786 8.350 ( -2.449 0.807 -4.168) 4.901 8.378 ( -2.720 -3.123 1.169) 4.303 8.510 ( 0.763 -2.306 1.619) 2.919 8.580 ( 2.568 -3.688 2.128) 4.972 8.809 ( -4.122 -3.206 -3.249) 6.150 9.042 ( -0.555 0.096 3.847) 3.888 9.177 ( 4.693 -1.108 1.002) 4.925 9.584 ( -2.632 6.212 -6.011) 9.036 9.707 ( 0.375 2.110 -1.347) 2.531 9.924 ( -3.608 4.086 8.345) 9.968 10.351 ( 9.016 -3.176 -5.349) 10.954 10.637 ( 5.499 1.128 2.019) 5.965 10.777 ( -0.170 -3.167 -1.385) 3.461 10.842 ( -0.812 -0.799 -2.545) 2.788 10.959 ( -4.738 3.548 0.380) 5.932 11.106 ( -7.162 -6.121 -8.290) 12.549 11.186 ( -3.350 -3.060 -7.110) 8.435 11.230 ( 7.818 -0.856 3.066) 8.441 11.522 ( -2.641 -8.321 -9.920) 13.215 11.607 ( -1.863 1.275 1.795) 2.884 12.049 ( 1.884 -7.914 8.590) 11.831 12.288 ( 6.729 -2.360 4.734) 8.559 12.357 ( 10.000 -2.448 -0.708) 10.320 12.645 ( -8.116 1.622 -2.373) 8.610 12.832 ( -4.028 2.350 -2.905) 5.494 13.231 ( -0.133 -2.460 0.945) 2.638 13.340 ( -5.349 -5.593 -0.731) 7.774 13.700 ( 1.338 -2.070 -2.145) 3.267 13.836 ( 3.187 -2.633 1.059) 4.268 14.168 ( -2.928 8.337 0.019) 8.836 14.580 ( -5.095 -0.085 0.780) 5.155 15.211 ( -3.095 10.687 -7.392) 13.358 15.475 ( 6.111 3.192 -8.979) 11.321 15.524 ( -1.503 5.455 3.352) 6.577 15.781 ( -1.212 -0.263 6.958) 7.068 16.355 ( 2.058 6.729 -3.359) 7.797 16.782 ( -3.374 -4.921 -5.194) 7.911 19.508 ( 0.067 -0.433 4.114) 4.137 19.673 ( -0.263 -6.290 7.224) 9.582 20.063 ( -0.152 7.513 1.784) 7.723 20.274 ( -3.560 -2.241 10.920) 11.702 20.858 ( -3.049 -2.857 7.570) 8.646 21.145 ( -1.310 -11.577 5.847) 13.035 21.503 ( -1.369 1.876 7.001) 7.376 21.650 ( -1.272 -0.411 5.616) 5.772 22.452 ( -1.102 -4.649 0.567) 4.811 22.593 ( 2.078 -7.371 -0.376) 7.667 23.449 ( -0.339 4.972 0.443) 5.003 23.546 ( 0.848 4.109 -0.533) 4.229 24.130 ( 6.197 -1.164 -2.767) 6.886 24.159 ( -1.563 -2.034 -5.200) 5.798 24.821 ( 1.882 10.807 -7.526) 13.303 24.953 ( 4.706 8.779 -7.817) 12.662 ======================= Grid point 50 (28/84) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 1.714 18.407 4.860) 19.114 1.828 ( -4.576 22.689 3.140) 23.357 2.070 ( 2.146 -9.085 2.875) 9.767 2.313 ( -2.673 -16.775 3.612) 17.367 2.472 ( -2.525 3.094 5.429) 6.740 2.510 ( -2.469 -0.907 4.667) 5.357 2.849 ( -0.719 5.308 5.171) 7.445 2.917 ( -1.460 -1.451 4.263) 4.734 3.118 ( 1.145 2.367 -5.045) 5.689 3.143 ( -3.613 1.243 -3.408) 5.120 3.219 ( 0.608 10.063 -0.577) 10.098 3.305 ( -0.269 -0.756 -3.444) 3.536 3.394 ( 1.536 3.858 -2.238) 4.717 3.498 ( -4.551 -3.508 -2.649) 6.327 3.676 ( -2.677 0.425 5.886) 6.480 3.678 ( 3.982 9.070 3.245) 10.424 3.815 ( -1.533 10.367 12.285) 16.148 4.091 ( 0.292 0.509 0.135) 0.602 4.137 ( -0.110 1.241 -0.871) 1.520 4.327 ( -3.012 -15.196 2.493) 15.691 4.374 ( 6.810 4.226 -3.133) 8.605 4.470 ( 4.522 -6.910 4.119) 9.229 4.679 ( -2.591 7.607 9.969) 12.805 4.821 ( 6.955 -3.579 9.603) 12.385 4.961 ( 3.937 6.948 -0.706) 8.017 5.024 ( -1.026 5.094 1.098) 5.311 5.191 ( -2.260 0.474 -2.517) 3.416 5.385 ( -1.738 -8.494 -2.642) 9.064 5.454 ( -1.796 0.623 0.533) 1.974 5.508 ( 1.201 -3.828 -0.256) 4.020 5.778 ( 0.267 10.539 -2.023) 10.735 5.925 ( -1.664 -3.657 -3.599) 5.394 6.211 ( -0.501 0.702 -2.009) 2.186 6.266 ( 0.528 -3.954 -1.037) 4.122 6.469 ( 0.360 10.015 2.174) 10.255 6.541 ( -3.088 0.057 4.107) 5.139 6.569 ( -0.220 -1.264 6.258) 6.388 6.693 ( -0.033 -6.753 -0.402) 6.765 6.946 ( -2.249 -3.940 -0.666) 4.585 7.023 ( 1.147 -9.263 -3.236) 9.878 7.808 ( -1.020 4.111 -2.043) 4.702 7.852 ( -0.646 0.464 -2.984) 3.088 8.209 ( 0.716 0.983 1.017) 1.585 8.217 ( -1.426 -0.000 0.917) 1.696 8.378 ( 0.660 2.074 -1.343) 2.557 8.448 ( 0.699 -4.276 0.818) 4.409 8.585 ( -1.118 0.873 -2.161) 2.585 8.632 ( -0.862 -3.417 -4.192) 5.476 9.090 ( 1.195 2.020 4.618) 5.181 9.162 ( 0.752 -4.576 3.397) 5.749 9.641 ( -1.685 6.288 -5.565) 8.564 9.739 ( 0.548 -2.914 -3.521) 4.603 10.104 ( 1.588 13.216 2.007) 13.462 10.372 ( 2.062 -10.877 -1.405) 11.160 10.651 ( -1.187 -0.607 -3.282) 3.543 10.659 ( -0.306 -1.010 -2.698) 2.897 10.808 ( -2.546 1.953 -4.099) 5.205 10.862 ( -1.353 -2.813 -4.176) 5.214 11.046 ( 3.932 3.035 1.961) 5.340 11.162 ( -1.430 -7.468 0.772) 7.643 11.268 ( 6.522 4.019 -2.991) 8.224 11.375 ( 6.488 -5.875 -4.976) 10.069 11.713 ( -1.054 6.024 6.573) 8.978 11.861 ( -4.223 -7.858 5.188) 10.320 12.453 ( -7.407 3.783 1.284) 8.415 12.515 ( 4.602 0.636 3.680) 5.927 12.585 ( -0.428 -3.490 -2.014) 4.052 12.608 ( 3.051 -2.419 -2.904) 4.857 13.195 ( 0.227 -0.143 -1.143) 1.174 13.204 ( -0.836 -0.775 -0.827) 1.409 13.682 ( -3.075 1.806 -4.451) 5.704 13.734 ( -4.216 -2.583 -5.652) 7.509 14.375 ( 4.548 6.257 4.668) 9.035 14.488 ( 1.047 -4.185 2.815) 5.152 15.406 ( 3.451 8.295 -5.289) 10.426 15.517 ( 3.088 -2.713 -4.871) 6.373 15.630 ( -2.833 5.075 3.481) 6.775 15.714 ( -4.007 -3.003 2.991) 5.832 16.492 ( 0.832 5.922 -3.698) 7.031 16.626 ( 1.844 -6.762 -3.174) 7.694 19.530 ( -0.272 1.082 5.480) 5.592 19.576 ( -0.944 -3.359 6.733) 7.583 20.221 ( 0.260 5.908 0.826) 5.971 20.270 ( -0.570 1.328 4.024) 4.276 20.822 ( -1.010 0.075 8.881) 8.939 20.912 ( -1.606 -8.332 6.082) 10.440 21.553 ( -0.815 2.453 6.650) 7.135 21.605 ( -1.329 -2.287 5.574) 6.170 22.410 ( -0.436 1.555 1.016) 1.908 22.487 ( -0.323 -5.392 1.320) 5.560 23.537 ( -0.288 3.850 -0.504) 3.894 23.586 ( -0.022 -0.562 -0.522) 0.767 24.101 ( -0.539 0.974 -3.648) 3.814 24.144 ( 1.366 -3.188 -2.095) 4.052 25.009 ( 1.275 5.773 -6.970) 9.139 25.070 ( 1.102 0.076 -8.361) 8.434 ======================= Grid point 51 (29/84) ======================= q-point: ( 0.20 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -7.814 21.183 2.918) 22.766 1.787 ( 0.969 14.825 6.949) 16.401 2.107 ( -10.620 -13.624 3.312) 17.589 2.128 ( -1.315 -9.447 5.884) 11.207 2.417 ( -3.397 3.956 1.737) 5.496 2.488 ( -1.185 -3.044 3.539) 4.816 2.787 ( -6.306 5.321 3.466) 8.949 2.851 ( -6.098 -0.580 6.180) 8.702 3.013 ( -4.511 9.731 -4.406) 11.595 3.194 ( 4.117 -1.234 -2.942) 5.209 3.238 ( 0.323 0.207 0.260) 0.463 3.289 ( -0.357 -0.886 1.100) 1.457 3.393 ( -1.794 1.057 -4.312) 4.788 3.452 ( 4.019 -4.974 -5.306) 8.310 3.578 ( -6.654 1.049 3.041) 7.391 3.666 ( -4.360 -5.751 -0.090) 7.217 3.936 ( 8.046 25.027 12.596) 29.150 4.122 ( 0.504 6.910 -1.501) 7.089 4.155 ( 2.376 2.985 1.154) 3.986 4.299 ( -0.389 3.523 5.638) 6.659 4.496 ( 2.297 -0.860 -3.571) 4.332 4.538 ( -0.438 -6.821 3.479) 7.669 4.635 ( -2.513 3.957 9.535) 10.625 4.871 ( -3.258 -11.822 10.165) 15.928 4.984 ( 2.055 5.551 -0.224) 5.923 5.110 ( 0.565 -6.095 -0.726) 6.164 5.277 ( 12.652 11.310 1.012) 17.000 5.335 ( -8.179 5.750 0.661) 10.019 5.457 ( 0.202 -5.030 1.127) 5.159 5.492 ( 4.854 -7.494 -1.793) 9.106 5.748 ( -1.914 8.107 -2.323) 8.648 5.881 ( -0.811 -4.581 -4.178) 6.253 6.212 ( 0.672 0.217 -0.620) 0.939 6.276 ( -0.470 -5.044 1.071) 5.178 6.398 ( -4.821 7.211 -0.001) 8.674 6.514 ( -4.036 -4.807 2.332) 6.696 6.645 ( 5.817 2.348 3.474) 7.171 6.692 ( 0.875 -3.891 1.902) 4.419 6.858 ( -4.544 -0.488 -1.297) 4.750 7.003 ( -1.821 -11.098 -1.065) 11.297 7.789 ( -0.109 2.458 -2.005) 3.174 7.807 ( -1.866 1.289 -2.641) 3.482 8.118 ( -5.376 3.436 0.963) 6.452 8.200 ( -2.857 -4.368 -2.572) 5.818 8.444 ( 4.911 3.267 -0.002) 5.899 8.502 ( 4.858 -1.739 0.018) 5.160 8.544 ( -1.029 3.153 -3.809) 5.051 8.642 ( 1.262 -6.060 -3.913) 7.323 9.117 ( -0.650 1.023 5.712) 5.839 9.151 ( -2.879 -1.821 3.601) 4.957 9.616 ( 1.493 5.147 -6.547) 8.461 9.735 ( 0.669 -5.529 -4.030) 6.874 10.146 ( 0.974 11.963 3.005) 12.373 10.348 ( -3.020 -6.677 1.349) 7.451 10.613 ( -0.949 1.357 -2.448) 2.955 10.653 ( 0.211 -2.372 -3.211) 3.998 10.792 ( 0.976 2.149 -7.066) 7.450 10.851 ( 2.662 -3.132 -6.581) 7.759 11.151 ( 4.262 2.623 -1.245) 5.157 11.221 ( 6.363 -3.008 0.855) 7.090 11.427 ( 6.641 0.711 4.855) 8.257 11.491 ( 4.219 -4.801 1.247) 6.512 11.688 ( -2.484 0.369 2.224) 3.355 11.744 ( -5.610 -4.857 1.713) 7.615 12.180 ( -14.069 3.541 -1.227) 14.559 12.294 ( -12.413 -6.585 2.482) 14.269 12.766 ( 8.625 3.449 0.292) 9.293 12.822 ( 7.820 -1.155 -2.398) 8.261 13.206 ( 1.289 0.893 -0.642) 1.694 13.241 ( 4.253 -2.771 -0.617) 5.114 13.596 ( -2.447 0.561 -3.961) 4.689 13.623 ( -3.278 -1.463 -4.692) 5.908 14.497 ( 2.687 3.230 4.396) 6.081 14.543 ( 3.732 -1.365 0.894) 4.074 15.449 ( 0.278 7.772 -3.349) 8.467 15.541 ( -0.397 -2.479 4.208) 4.900 15.626 ( 1.003 2.521 -3.577) 4.490 15.644 ( -0.006 -0.693 -0.611) 0.924 16.507 ( 1.371 8.336 -3.218) 9.041 16.694 ( 4.385 -9.071 -3.255) 10.588 19.535 ( -0.916 0.464 5.891) 5.980 19.567 ( -1.706 -2.450 6.561) 7.209 20.227 ( 0.058 6.176 0.300) 6.184 20.276 ( -0.145 1.838 4.212) 4.598 20.834 ( -0.674 -2.126 9.188) 9.454 20.896 ( -1.374 -7.736 5.907) 9.830 21.561 ( -0.365 1.225 6.885) 7.003 21.594 ( -1.237 -1.669 5.106) 5.512 22.397 ( -0.833 1.003 0.891) 1.579 22.464 ( -1.925 -5.157 1.278) 5.651 23.530 ( -0.068 3.922 -0.583) 3.965 23.581 ( -0.170 -0.624 -0.725) 0.972 24.078 ( -0.515 2.878 -3.231) 4.357 24.153 ( 0.172 -4.403 -2.219) 4.933 25.007 ( 0.645 5.150 -6.657) 8.442 25.047 ( -0.561 1.552 -7.812) 7.984 ======================= Grid point 52 (30/84) ======================= q-point: ( 0.40 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.485 9.584 4.925) 11.059 1.748 ( -7.609 -1.624 2.312) 8.117 1.929 ( -3.004 11.458 12.507) 17.226 2.172 ( 0.425 -8.184 9.818) 12.789 2.363 ( 0.231 3.043 -1.666) 3.476 2.471 ( -1.214 -7.040 1.308) 7.263 2.662 ( -3.793 4.813 3.569) 7.092 2.726 ( -4.626 0.020 6.447) 7.935 2.941 ( -1.604 13.587 0.734) 13.701 3.210 ( -1.208 -7.112 -1.773) 7.429 3.249 ( 1.607 0.216 2.678) 3.131 3.328 ( 1.221 -4.455 0.543) 4.652 3.392 ( -3.216 5.368 -2.796) 6.854 3.465 ( 2.776 0.317 -1.225) 3.051 3.525 ( 0.075 -5.243 -3.325) 6.209 3.556 ( -1.613 -6.463 -2.359) 7.067 4.096 ( -1.445 11.526 -3.325) 12.083 4.155 ( 5.534 17.278 7.520) 19.639 4.206 ( 1.387 7.429 2.250) 7.885 4.274 ( -2.122 16.069 2.823) 16.452 4.468 ( -3.530 -5.756 2.166) 7.091 4.520 ( -0.447 -1.101 -2.311) 2.598 4.623 ( -1.395 -1.857 7.801) 8.140 4.835 ( -2.675 -12.965 9.026) 16.023 5.041 ( -0.357 7.836 -2.215) 8.151 5.139 ( -0.886 -1.566 -3.578) 4.005 5.173 ( -1.618 4.393 2.312) 5.221 5.352 ( -4.219 -11.742 1.967) 12.631 5.514 ( 7.507 9.960 -0.433) 12.479 5.625 ( 0.881 -0.741 -2.475) 2.729 5.701 ( -1.027 8.236 -0.365) 8.307 5.897 ( 2.877 -9.524 -0.665) 9.971 6.229 ( -1.642 -0.553 2.105) 2.726 6.242 ( 0.727 -1.901 0.714) 2.157 6.344 ( -0.376 0.338 4.258) 4.288 6.419 ( -3.458 -6.202 1.730) 7.309 6.715 ( 0.505 -1.771 1.668) 2.484 6.743 ( -0.705 -4.897 0.657) 4.991 6.822 ( 4.237 5.018 0.223) 6.571 6.960 ( -2.527 -7.531 2.295) 8.269 7.768 ( -0.440 3.129 -1.496) 3.496 7.790 ( 0.281 0.757 -1.914) 2.078 8.029 ( -2.056 3.917 0.582) 4.462 8.148 ( -0.319 -7.004 -1.060) 7.091 8.495 ( -1.632 4.819 -3.527) 6.191 8.546 ( 2.602 1.900 -4.254) 5.336 8.613 ( 3.360 -0.949 -4.244) 5.496 8.665 ( 3.415 -5.302 -0.170) 6.308 9.081 ( -3.177 0.608 3.432) 4.716 9.097 ( -2.791 -0.985 5.477) 6.225 9.654 ( 3.205 3.797 -5.778) 7.620 9.758 ( 2.281 -5.759 -3.862) 7.299 10.148 ( -1.535 9.220 2.224) 9.608 10.273 ( -4.290 -2.717 1.531) 5.304 10.593 ( -0.215 2.567 -1.937) 3.223 10.647 ( 0.270 -1.689 -1.832) 2.506 10.803 ( 2.241 2.256 -7.899) 8.515 10.912 ( 4.744 -5.155 -8.357) 10.905 11.251 ( 3.753 6.828 0.308) 7.798 11.307 ( 0.237 1.825 -1.287) 2.246 11.470 ( -4.710 -1.901 0.362) 5.092 11.563 ( -1.887 -10.297 2.650) 10.799 11.664 ( 2.555 -1.153 -1.534) 3.196 11.711 ( 2.687 -5.160 -0.902) 5.887 11.937 ( -4.832 4.156 3.045) 7.064 12.063 ( -8.544 -7.377 5.390) 12.509 12.887 ( 2.676 3.390 -1.317) 4.516 12.920 ( 2.676 0.912 -2.833) 4.003 13.238 ( 1.105 2.709 -0.386) 2.951 13.326 ( 2.308 -5.602 -1.029) 6.146 13.575 ( 1.196 0.040 -0.323) 1.240 13.594 ( 1.647 -1.246 0.044) 2.066 14.503 ( -1.808 6.287 0.853) 6.598 14.616 ( 1.478 -4.457 -0.392) 4.712 15.421 ( -1.128 4.578 0.282) 4.724 15.490 ( -3.995 -2.855 0.186) 4.914 15.669 ( 3.088 3.628 -0.515) 4.792 15.699 ( 3.490 1.272 -3.015) 4.785 16.521 ( 0.720 11.158 -3.129) 11.611 16.755 ( 1.676 -10.331 -4.432) 11.366 19.526 ( -1.628 0.385 6.069) 6.295 19.553 ( -1.189 -2.269 6.136) 6.649 20.224 ( -0.294 6.349 -0.092) 6.357 20.286 ( -0.205 0.895 3.456) 3.576 20.840 ( -1.414 -2.734 8.469) 9.011 20.899 ( -0.375 -7.917 7.676) 11.034 21.570 ( -1.132 0.559 6.167) 6.295 21.592 ( -0.133 -1.427 5.633) 5.812 22.391 ( 0.274 -0.790 0.916) 1.240 22.425 ( -1.770 -3.707 1.576) 4.400 23.532 ( 0.285 3.708 -0.241) 3.726 23.577 ( 0.057 -0.264 -0.610) 0.667 24.064 ( 0.248 3.438 -2.703) 4.380 24.144 ( -0.214 -4.209 -2.445) 4.873 24.999 ( 0.444 4.572 -6.890) 8.281 25.015 ( 0.250 3.104 -6.891) 7.562 ======================= Grid point 53 (31/84) ======================= q-point: (-0.40 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -3.201 12.357 2.222) 12.957 1.781 ( 7.423 -4.964 3.901) 9.744 1.925 ( -2.049 13.674 12.650) 18.740 2.204 ( -0.524 -8.559 11.206) 14.111 2.448 ( 5.393 0.147 1.946) 5.735 2.467 ( 0.559 -0.893 3.077) 3.252 2.701 ( 4.921 2.663 3.801) 6.764 2.738 ( 3.932 1.524 6.430) 7.689 2.957 ( 3.405 11.311 1.317) 11.886 3.205 ( 1.344 -8.374 -3.336) 9.114 3.242 ( -2.582 1.155 0.823) 2.946 3.300 ( -0.621 -4.209 1.603) 4.547 3.365 ( -0.043 3.451 -1.662) 3.831 3.468 ( 1.932 -4.527 -3.126) 5.830 3.559 ( 3.320 2.242 -1.219) 4.188 3.630 ( 3.673 -3.938 1.360) 5.554 4.062 ( -2.118 15.061 -3.067) 15.515 4.139 ( -5.614 12.160 3.102) 13.748 4.166 ( -4.603 13.866 -1.712) 14.709 4.279 ( -1.369 6.341 6.338) 9.069 4.383 ( -2.161 -2.782 0.160) 3.526 4.506 ( -0.579 -1.473 -2.697) 3.127 4.633 ( -0.915 -4.293 7.773) 8.927 4.799 ( -3.388 -9.171 6.501) 11.741 4.998 ( -0.138 0.026 -4.072) 4.074 5.026 ( -5.223 -2.352 -3.288) 6.605 5.233 ( 4.704 4.519 2.306) 6.919 5.351 ( 1.712 -5.509 0.237) 5.774 5.537 ( -7.668 5.687 -0.115) 9.548 5.597 ( 0.894 1.984 -3.922) 4.485 5.698 ( 1.015 9.330 0.981) 9.436 5.940 ( 0.722 -10.460 0.466) 10.495 6.224 ( 1.058 2.097 1.150) 2.615 6.284 ( 1.032 -3.595 2.492) 4.495 6.344 ( 0.083 2.443 3.624) 4.371 6.451 ( 4.674 -6.978 5.015) 9.782 6.702 ( -1.555 -0.462 0.657) 1.750 6.765 ( 0.884 -6.431 2.259) 6.873 6.879 ( -2.476 0.764 2.302) 3.466 6.927 ( 2.582 -3.510 0.246) 4.364 7.784 ( 2.178 2.835 -1.175) 3.763 7.802 ( 1.438 0.769 -1.300) 2.085 8.044 ( 2.699 4.767 1.222) 5.612 8.186 ( 3.370 -8.111 1.288) 8.878 8.435 ( -2.251 3.764 -4.127) 6.023 8.510 ( -3.188 -2.878 -6.006) 7.383 8.639 ( 0.067 4.263 -1.832) 4.641 8.744 ( 1.903 -4.956 -1.121) 5.425 9.053 ( -1.319 -0.138 4.043) 4.255 9.067 ( 0.218 -1.306 3.561) 3.799 9.699 ( 2.245 4.069 -5.256) 7.016 9.776 ( -0.577 -2.837 -2.197) 3.634 10.113 ( -1.890 6.621 1.284) 7.004 10.199 ( -0.720 -1.487 -1.570) 2.279 10.601 ( 1.631 2.821 -1.261) 3.494 10.670 ( 1.890 -3.248 -0.605) 3.807 10.827 ( 2.057 3.661 -6.868) 8.050 10.983 ( 3.021 -8.373 -7.268) 11.492 11.233 ( -3.746 5.989 -3.047) 7.693 11.258 ( -4.598 5.669 -1.898) 7.542 11.292 ( -8.756 -2.673 -4.157) 10.055 11.462 ( -5.217 -9.274 -3.601) 11.234 11.675 ( -0.322 2.623 0.224) 2.652 11.791 ( 2.471 -7.825 5.341) 9.791 12.030 ( 8.881 -1.130 4.911) 10.211 12.061 ( 6.884 -3.821 5.258) 9.467 12.876 ( -3.373 4.335 -1.989) 5.841 12.930 ( -1.257 0.084 -2.804) 3.074 13.238 ( -0.786 2.034 -0.182) 2.188 13.317 ( -2.415 -5.512 -1.107) 6.119 13.632 ( 3.380 1.252 1.755) 4.009 13.677 ( 4.687 -2.296 2.810) 5.928 14.439 ( -3.907 8.048 -1.295) 9.039 14.592 ( -3.225 -6.336 -0.944) 7.171 15.400 ( -1.988 1.739 -1.829) 3.212 15.430 ( 0.674 -0.171 -2.690) 2.778 15.698 ( 0.050 5.851 -0.701) 5.893 15.763 ( 1.714 -0.313 1.958) 2.621 16.515 ( -0.227 10.377 -3.558) 10.973 16.730 ( -2.322 -9.416 -5.169) 10.990 19.513 ( -1.046 1.045 5.590) 5.782 19.555 ( -0.480 -3.156 6.229) 6.999 20.216 ( -0.340 6.222 0.186) 6.234 20.286 ( -0.707 -0.261 2.782) 2.882 20.831 ( -1.693 -0.879 8.500) 8.712 20.917 ( -0.534 -8.628 8.175) 11.898 21.560 ( -1.300 2.047 5.783) 6.271 21.610 ( -0.264 -2.487 6.160) 6.648 22.401 ( -0.192 -1.461 1.064) 1.818 22.423 ( 1.583 -2.980 1.772) 3.811 23.538 ( 0.276 3.509 0.113) 3.522 23.580 ( 0.299 -0.104 -0.404) 0.513 24.074 ( 1.462 2.364 -2.423) 3.687 24.132 ( -0.088 -3.151 -2.846) 4.247 24.989 ( 1.013 5.269 -7.203) 8.982 25.021 ( 2.055 2.368 -6.910) 7.588 ======================= Grid point 54 (32/84) ======================= q-point: (-0.20 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.787 20.505 1.520) 21.360 1.859 ( -1.769 18.097 9.443) 20.489 1.998 ( 4.942 -10.568 1.676) 11.786 2.247 ( 2.866 -12.632 8.231) 15.347 2.486 ( -0.454 3.124 6.578) 7.296 2.527 ( 0.364 -1.539 5.364) 5.592 2.805 ( 3.181 5.142 3.344) 6.910 2.877 ( 4.148 -0.813 5.267) 6.754 3.066 ( 4.551 6.419 -2.069) 8.136 3.211 ( -1.482 -0.480 -2.534) 2.975 3.219 ( 0.944 1.089 -1.561) 2.124 3.320 ( 1.237 -3.841 -0.191) 4.039 3.389 ( 1.779 3.501 -0.822) 4.012 3.534 ( 2.084 -4.231 -4.326) 6.400 3.595 ( 1.365 9.994 -0.452) 10.097 3.678 ( -0.000 2.080 6.605) 6.924 3.862 ( -8.494 15.266 12.362) 21.402 4.116 ( -1.219 4.935 -3.251) 6.034 4.170 ( 3.114 3.999 -6.209) 8.015 4.220 ( -1.201 -0.323 5.226) 5.371 4.379 ( 1.929 -4.016 -0.962) 4.558 4.451 ( -4.380 -13.434 -0.330) 14.134 4.639 ( 1.551 2.464 6.912) 7.500 4.730 ( -3.221 -1.271 5.238) 6.279 4.940 ( -0.786 4.314 -2.563) 5.079 5.053 ( 2.380 -4.695 -0.244) 5.269 5.305 ( -7.848 8.703 -0.096) 11.719 5.365 ( 2.627 0.285 0.786) 2.757 5.414 ( 4.004 -0.345 -0.716) 4.082 5.550 ( -4.237 -8.720 0.268) 9.699 5.747 ( 2.570 12.170 -1.030) 12.481 5.949 ( 0.327 -6.944 -1.334) 7.079 6.235 ( -0.578 1.319 -0.388) 1.491 6.281 ( -1.033 -2.412 -0.866) 2.763 6.409 ( 3.226 8.691 4.307) 10.222 6.556 ( 1.324 -4.346 6.561) 7.981 6.651 ( -4.624 -0.831 0.279) 4.706 6.689 ( -3.010 -5.995 1.760) 6.935 6.923 ( 3.742 -2.901 1.679) 5.024 6.987 ( 2.530 -6.575 -2.112) 7.354 7.822 ( 0.764 2.844 -1.272) 3.208 7.839 ( 2.122 1.473 -1.868) 3.188 8.125 ( 3.882 4.852 1.786) 6.465 8.257 ( 0.809 -6.868 0.896) 6.974 8.389 ( -0.875 1.791 -2.195) 2.965 8.434 ( -1.039 -2.811 -0.800) 3.101 8.610 ( -1.375 4.116 -2.640) 5.080 8.714 ( -3.570 -5.319 -2.618) 6.921 9.055 ( 0.513 1.618 3.677) 4.049 9.114 ( 2.352 -3.730 2.446) 5.042 9.703 ( -1.545 3.613 -4.933) 6.307 9.735 ( -0.232 0.218 -2.523) 2.543 10.085 ( -0.541 10.159 1.610) 10.300 10.268 ( 6.290 -5.947 -2.539) 9.021 10.651 ( 2.243 0.440 0.012) 2.286 10.681 ( -0.622 -3.263 -2.543) 4.184 10.859 ( 1.416 1.742 -3.331) 4.017 10.939 ( -4.656 -5.801 -4.923) 8.920 11.096 ( -7.410 5.010 -0.938) 8.994 11.153 ( -0.942 -0.680 -3.242) 3.444 11.217 ( 2.661 1.092 -3.573) 4.587 11.336 ( -3.366 -8.602 -8.053) 12.255 11.693 ( 0.857 6.579 4.859) 8.224 11.864 ( 1.646 -9.159 7.093) 11.701 12.261 ( 10.659 0.203 3.687) 11.280 12.296 ( 12.097 -2.856 1.988) 12.587 12.726 ( -9.298 5.281 -2.205) 10.918 12.826 ( -7.876 -3.195 -2.796) 8.948 13.214 ( -1.207 0.449 -0.355) 1.336 13.246 ( -2.949 -2.825 -0.561) 4.122 13.704 ( 1.972 2.351 -0.136) 3.072 13.772 ( 2.286 -3.493 -0.049) 4.174 14.348 ( -2.915 8.382 0.040) 8.875 14.506 ( -3.355 -6.272 0.697) 7.147 15.371 ( 0.868 5.758 -4.606) 7.425 15.463 ( 2.914 -2.995 -5.006) 6.521 15.679 ( -2.008 6.905 2.641) 7.661 15.770 ( -1.824 -1.816 3.505) 4.348 16.497 ( -0.155 7.076 -3.962) 8.111 16.651 ( -2.620 -7.263 -4.454) 8.913 19.517 ( -0.245 1.332 5.310) 5.480 19.568 ( -0.327 -3.645 6.511) 7.469 20.214 ( 0.025 5.949 0.797) 6.003 20.276 ( -0.914 0.003 3.085) 3.217 20.822 ( -1.545 0.642 8.734) 8.893 20.922 ( -1.178 -8.698 7.206) 11.357 21.553 ( -1.065 2.854 6.245) 6.948 21.614 ( -1.065 -2.678 5.956) 6.617 22.407 ( 0.258 0.670 1.235) 1.428 22.468 ( 1.545 -4.691 1.510) 5.165 23.542 ( -0.026 3.586 -0.026) 3.586 23.585 ( 0.217 -0.264 -0.375) 0.507 24.109 ( 2.192 -0.361 -2.535) 3.370 24.121 ( -0.150 -1.349 -3.050) 3.338 24.997 ( 1.685 5.798 -7.217) 9.410 25.052 ( 2.612 0.824 -7.811) 8.277 ======================= Grid point 70 (33/84) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 7.715 0.000 25.954) 27.076 1.112 ( 2.212 0.000 27.743) 27.831 1.677 ( -1.900 0.000 34.606) 34.659 1.945 ( 0.526 0.000 -7.346) 7.365 2.509 ( -1.533 0.000 0.678) 1.676 2.532 ( -0.501 0.000 4.996) 5.021 2.663 ( -5.281 0.000 5.283) 7.470 2.768 ( 3.223 0.000 14.979) 15.322 2.896 ( -4.615 0.000 14.754) 15.459 2.945 ( 1.732 0.000 -1.756) 2.466 3.088 ( 0.688 0.000 -7.421) 7.453 3.185 ( -3.501 0.000 11.633) 12.148 3.331 ( -4.608 0.000 0.205) 4.613 3.486 ( 3.399 0.000 1.995) 3.941 3.544 ( 1.428 0.000 -5.345) 5.533 3.614 ( -3.619 0.000 -0.057) 3.619 3.915 ( -1.960 0.000 -6.952) 7.223 3.969 ( -3.147 0.000 -0.091) 3.149 4.156 ( 5.410 0.000 7.080) 8.911 4.207 ( -2.134 0.000 4.965) 5.404 4.339 ( 2.962 0.000 6.505) 7.148 4.484 ( -7.791 0.000 -7.291) 10.671 4.701 ( 4.986 0.000 -7.766) 9.229 4.747 ( -1.937 0.000 3.392) 3.906 4.951 ( 1.866 0.000 -1.432) 2.352 5.124 ( 3.804 0.000 -11.763) 12.362 5.205 ( -5.155 0.000 -2.459) 5.712 5.308 ( 5.790 0.000 2.204) 6.195 5.458 ( -0.495 0.000 0.592) 0.772 5.537 ( -4.721 0.000 2.045) 5.145 5.884 ( -2.626 0.000 -0.964) 2.797 5.938 ( 6.863 0.000 6.572) 9.502 6.139 ( -3.186 0.000 -1.724) 3.622 6.422 ( -1.850 0.000 -3.399) 3.870 6.614 ( -2.003 0.000 -3.005) 3.611 6.657 ( 0.630 0.000 3.702) 3.755 6.745 ( 1.202 0.000 4.982) 5.125 6.919 ( 7.315 0.000 1.767) 7.526 6.951 ( -3.382 0.000 -1.908) 3.883 7.048 ( 2.295 0.000 1.380) 2.678 7.516 ( -0.892 0.000 -2.434) 2.592 7.746 ( 1.300 0.000 -5.103) 5.266 8.061 ( 2.700 0.000 -3.467) 4.395 8.168 ( -1.239 0.000 0.377) 1.295 8.402 ( -1.306 0.000 -4.610) 4.791 8.487 ( -5.435 0.000 -10.256) 11.607 8.681 ( -3.926 0.000 3.521) 5.274 8.837 ( 3.630 0.000 -0.869) 3.732 9.051 ( -1.492 0.000 3.785) 4.068 9.247 ( -5.245 0.000 1.398) 5.428 9.522 ( 1.396 0.000 1.598) 2.122 9.752 ( 10.214 0.000 -0.648) 10.234 10.331 ( 2.211 0.000 -2.369) 3.241 10.428 ( 1.548 0.000 -4.168) 4.446 10.601 ( -15.124 0.000 -4.683) 15.832 10.699 ( -6.796 0.000 -1.796) 7.030 10.753 ( -14.384 0.000 2.089) 14.535 10.953 ( -1.228 0.000 -3.995) 4.179 10.958 ( -4.779 0.000 -1.543) 5.022 11.391 ( 6.707 0.000 -11.354) 13.187 11.403 ( 11.919 0.000 -2.998) 12.290 11.628 ( 2.049 0.000 6.253) 6.580 11.749 ( -0.033 0.000 0.713) 0.714 12.170 ( 7.726 0.000 -8.010) 11.130 12.386 ( -7.043 0.000 -0.042) 7.043 12.399 ( 6.857 0.000 -8.334) 10.792 12.555 ( -6.131 0.000 9.460) 11.273 12.828 ( 12.366 0.000 1.075) 12.412 13.148 ( 3.098 0.000 3.786) 4.892 13.470 ( -1.354 0.000 3.285) 3.553 13.473 ( -3.442 0.000 -3.479) 4.894 13.741 ( -6.356 0.000 -4.374) 7.716 14.330 ( -1.743 0.000 -0.996) 2.008 14.424 ( 4.596 0.000 5.337) 7.043 14.741 ( 3.207 0.000 -4.671) 5.666 14.795 ( 1.920 0.000 -0.365) 1.954 15.777 ( 6.944 0.000 6.784) 9.708 15.985 ( 0.150 0.000 8.403) 8.405 16.135 ( -0.239 0.000 -2.211) 2.224 16.745 ( 0.595 0.000 -7.107) 7.132 19.641 ( 0.983 0.000 4.089) 4.205 19.893 ( -1.730 0.000 0.026) 1.731 19.967 ( -2.136 0.000 7.347) 7.651 20.403 ( -17.725 0.000 6.825) 18.994 21.527 ( 3.846 0.000 3.015) 4.887 21.654 ( -2.542 0.000 10.692) 10.990 21.741 ( -1.440 0.000 15.379) 15.446 22.347 ( 6.104 0.000 -4.719) 7.715 22.441 ( 0.139 0.000 -1.008) 1.017 22.625 ( 5.226 0.000 -0.842) 5.293 23.082 ( -0.009 0.000 7.482) 7.482 23.287 ( -0.361 0.000 -0.473) 0.596 23.787 ( 1.281 0.000 -0.392) 1.339 24.212 ( -0.869 0.000 -0.652) 1.087 24.325 ( 1.005 0.000 -9.681) 9.733 24.588 ( 3.778 0.000 -9.034) 9.792 ======================= Grid point 71 (34/84) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 16.612 0.000 18.963) 25.210 1.374 ( 12.483 0.000 25.073) 28.009 1.848 ( 6.372 0.000 31.196) 31.840 1.981 ( 4.924 0.000 -6.526) 8.175 2.415 ( -12.413 0.000 2.511) 12.664 2.484 ( 0.310 0.000 0.785) 0.844 2.489 ( -9.593 0.000 5.797) 11.209 2.787 ( -5.438 0.000 19.635) 20.374 2.852 ( -3.407 0.000 -1.720) 3.816 2.918 ( -3.177 0.000 -7.276) 7.939 3.046 ( -3.307 0.000 20.253) 20.522 3.105 ( -10.610 0.000 2.505) 10.902 3.209 ( 2.982 0.000 -1.912) 3.542 3.511 ( -1.543 0.000 -7.448) 7.606 3.525 ( -0.465 0.000 3.860) 3.888 3.727 ( 5.481 0.000 5.618) 7.849 3.888 ( 0.990 0.000 -7.025) 7.094 3.896 ( 0.956 0.000 -0.357) 1.020 4.018 ( -15.100 0.000 2.926) 15.381 4.175 ( -3.646 0.000 6.915) 7.817 4.232 ( -7.799 0.000 -6.953) 10.449 4.442 ( 0.839 0.000 2.447) 2.587 4.811 ( 5.929 0.000 7.406) 9.487 4.815 ( 4.026 0.000 -5.791) 7.053 5.012 ( -5.752 0.000 -5.408) 7.895 5.041 ( 3.228 0.000 0.331) 3.245 5.237 ( 1.347 0.000 -11.750) 11.827 5.330 ( -1.611 0.000 -2.972) 3.381 5.398 ( -5.941 0.000 -0.091) 5.942 5.405 ( -0.642 0.000 2.666) 2.742 5.933 ( 5.290 0.000 3.394) 6.285 6.110 ( 2.959 0.000 2.983) 4.201 6.179 ( 9.765 0.000 -0.705) 9.791 6.434 ( 2.749 0.000 -1.122) 2.969 6.596 ( 1.636 0.000 -1.260) 2.065 6.677 ( -0.132 0.000 2.369) 2.372 6.757 ( -1.280 0.000 0.693) 1.455 6.879 ( -2.612 0.000 -2.608) 3.691 7.034 ( -3.725 0.000 -0.184) 3.729 7.050 ( 2.847 0.000 3.580) 4.574 7.518 ( 2.002 0.000 -5.212) 5.583 7.620 ( -8.388 0.000 -3.102) 8.943 8.087 ( 0.034 0.000 -0.381) 0.382 8.253 ( 5.122 0.000 -0.084) 5.122 8.366 ( -1.031 0.000 1.132) 1.531 8.411 ( 3.140 0.000 -10.227) 10.698 8.602 ( -2.239 0.000 1.756) 2.845 8.831 ( -3.513 0.000 -0.503) 3.549 9.043 ( -0.193 0.000 1.171) 1.187 9.062 ( -7.568 0.000 0.410) 7.579 9.637 ( 5.861 0.000 2.351) 6.315 9.921 ( 3.038 0.000 3.993) 5.018 10.058 ( -18.582 0.000 9.719) 20.970 10.426 ( 6.989 0.000 -5.075) 8.637 10.483 ( -1.040 0.000 -2.898) 3.079 10.576 ( -4.604 0.000 0.924) 4.696 10.641 ( -1.240 0.000 1.026) 1.609 10.890 ( 0.142 0.000 -5.718) 5.720 10.971 ( 3.445 0.000 -2.562) 4.293 11.381 ( 1.775 0.000 -12.432) 12.558 11.716 ( 2.523 0.000 -2.658) 3.665 11.722 ( 2.952 0.000 1.601) 3.358 11.785 ( 10.236 0.000 7.401) 12.631 12.024 ( -4.767 0.000 -13.828) 14.626 12.136 ( -14.056 0.000 -4.587) 14.785 12.477 ( -2.497 0.000 8.965) 9.306 12.622 ( 6.808 0.000 -5.647) 8.845 13.141 ( 7.265 0.000 -3.237) 7.954 13.205 ( 0.481 0.000 3.402) 3.436 13.358 ( -1.937 0.000 -1.425) 2.405 13.500 ( 2.657 0.000 4.171) 4.945 13.710 ( 4.015 0.000 -3.532) 5.347 14.309 ( -0.274 0.000 1.105) 1.139 14.540 ( 1.919 0.000 7.709) 7.945 14.765 ( 2.014 0.000 -10.675) 10.864 14.817 ( 0.551 0.000 -2.765) 2.819 15.889 ( 1.145 0.000 7.030) 7.122 16.029 ( 0.811 0.000 0.149) 0.825 16.115 ( -0.763 0.000 -1.946) 2.090 16.746 ( 1.453 0.000 -7.010) 7.159 19.663 ( -0.569 0.000 4.616) 4.651 19.801 ( -4.275 0.000 1.789) 4.635 19.953 ( -1.044 0.000 7.397) 7.470 20.278 ( 0.875 0.000 14.168) 14.195 21.550 ( -1.542 0.000 2.840) 3.232 21.633 ( -2.383 0.000 10.680) 10.943 21.747 ( -2.263 0.000 14.435) 14.611 22.229 ( -7.827 0.000 1.009) 7.891 22.443 ( 0.369 0.000 -1.041) 1.105 22.867 ( 10.028 0.000 -8.799) 13.341 23.100 ( -0.683 0.000 4.650) 4.700 23.284 ( 0.129 0.000 0.369) 0.391 23.812 ( 0.954 0.000 -0.922) 1.326 24.185 ( -1.044 0.000 -0.872) 1.360 24.313 ( 0.834 0.000 -9.876) 9.911 24.582 ( -1.160 0.000 -8.318) 8.399 ======================= Grid point 72 (35/84) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 3.371 0.000 20.889) 21.160 1.748 ( 13.266 0.000 19.432) 23.528 2.009 ( -15.200 0.000 8.028) 17.190 2.016 ( 1.238 0.000 17.785) 17.828 2.173 ( 4.774 0.000 -3.429) 5.878 2.341 ( -3.541 0.000 -2.096) 4.115 2.512 ( 0.640 0.000 -3.048) 3.114 2.608 ( -14.090 0.000 -1.351) 14.154 2.757 ( -8.351 0.000 0.010) 8.351 2.838 ( 0.182 0.000 20.958) 20.958 2.987 ( -1.471 0.000 0.894) 1.722 3.173 ( 7.796 0.000 25.990) 27.135 3.219 ( -1.303 0.000 -4.723) 4.900 3.443 ( -2.151 0.000 -8.053) 8.335 3.499 ( -2.585 0.000 2.837) 3.838 3.706 ( -9.223 0.000 0.163) 9.224 3.720 ( -2.731 0.000 2.379) 3.622 3.930 ( 4.118 0.000 -6.175) 7.422 3.983 ( -1.236 0.000 7.878) 7.974 4.137 ( 0.458 0.000 -1.995) 2.047 4.236 ( 10.676 0.000 0.100) 10.676 4.431 ( -2.338 0.000 2.360) 3.323 4.870 ( 2.713 0.000 -2.326) 3.574 4.871 ( -4.084 0.000 -3.400) 5.314 4.952 ( 2.562 0.000 3.899) 4.665 4.995 ( -4.935 0.000 0.998) 5.035 5.139 ( -3.631 0.000 -0.508) 3.666 5.241 ( -4.804 0.000 -3.967) 6.230 5.412 ( 5.242 0.000 -1.637) 5.492 5.474 ( 3.307 0.000 -4.705) 5.751 6.050 ( 2.856 0.000 7.310) 7.848 6.101 ( -3.721 0.000 -2.828) 4.674 6.439 ( 12.265 0.000 0.435) 12.273 6.461 ( -0.697 0.000 -3.686) 3.751 6.662 ( 1.578 0.000 0.484) 1.650 6.663 ( -1.020 0.000 2.372) 2.582 6.726 ( -0.919 0.000 -0.982) 1.345 6.811 ( -3.642 0.000 -0.941) 3.761 6.943 ( -0.701 0.000 -0.877) 1.122 7.059 ( -2.937 0.000 4.909) 5.721 7.461 ( -4.289 0.000 -2.969) 5.216 7.561 ( 3.798 0.000 -9.562) 10.289 8.075 ( -1.414 0.000 2.788) 3.126 8.338 ( 4.687 0.000 -1.048) 4.803 8.399 ( 3.480 0.000 4.427) 5.631 8.528 ( 6.300 0.000 -9.222) 11.169 8.580 ( -1.176 0.000 -0.338) 1.223 8.730 ( -4.013 0.000 1.742) 4.375 8.983 ( 0.424 0.000 -1.892) 1.939 9.029 ( -1.241 0.000 -1.652) 2.066 9.748 ( 0.804 0.000 6.864) 6.911 9.854 ( -1.342 0.000 7.025) 7.152 9.884 ( -7.115 0.000 4.305) 8.316 10.454 ( -0.855 0.000 0.152) 0.868 10.484 ( -3.446 0.000 -0.135) 3.449 10.581 ( 7.488 0.000 -1.826) 7.708 10.647 ( 1.432 0.000 0.818) 1.649 10.931 ( 5.108 0.000 -10.515) 11.690 11.064 ( 5.029 0.000 -1.124) 5.153 11.409 ( 3.631 0.000 -10.953) 11.539 11.613 ( -10.219 0.000 -7.234) 12.521 11.616 ( -10.051 0.000 -2.375) 10.328 11.814 ( -9.532 0.000 -5.435) 10.973 12.036 ( 6.709 0.000 -10.902) 12.801 12.050 ( 8.290 0.000 7.664) 11.290 12.538 ( 4.605 0.000 10.613) 11.569 12.643 ( -3.372 0.000 -4.114) 5.319 13.185 ( -2.883 0.000 2.195) 3.624 13.188 ( 3.641 0.000 0.993) 3.774 13.377 ( 0.790 0.000 -5.930) 5.983 13.580 ( 2.530 0.000 4.387) 5.064 13.823 ( 5.584 0.000 -2.234) 6.014 14.313 ( 0.079 0.000 3.241) 3.242 14.537 ( -3.379 0.000 8.246) 8.911 14.774 ( 1.515 0.000 -12.891) 12.980 14.806 ( -0.357 0.000 -5.242) 5.254 15.868 ( -4.744 0.000 1.106) 4.871 16.017 ( -1.481 0.000 6.625) 6.789 16.100 ( 0.127 0.000 -1.604) 1.609 16.760 ( 1.662 0.000 -6.629) 6.834 19.644 ( -2.264 0.000 4.708) 5.224 19.771 ( 0.505 0.000 2.124) 2.184 19.969 ( 0.058 0.000 7.595) 7.595 20.434 ( 8.807 0.000 13.557) 16.167 21.482 ( -5.618 0.000 1.309) 5.768 21.625 ( -1.306 0.000 10.865) 10.943 21.737 ( -2.648 0.000 13.669) 13.923 22.091 ( -5.573 0.000 4.224) 6.993 22.448 ( 0.260 0.000 -0.851) 0.890 22.974 ( 2.832 0.000 -10.488) 10.863 23.077 ( -2.098 0.000 5.263) 5.665 23.293 ( 0.406 0.000 0.945) 1.028 23.812 ( -0.598 0.000 -1.905) 1.997 24.175 ( 0.473 0.000 -0.528) 0.709 24.304 ( 1.385 0.000 -10.020) 10.115 24.523 ( -1.520 0.000 -7.185) 7.344 ======================= Grid point 73 (36/84) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -17.176 0.000 17.436) 24.475 1.541 ( -22.950 0.000 12.913) 26.333 1.962 ( -13.973 0.000 11.844) 18.318 2.031 ( 2.062 0.000 9.131) 9.360 2.295 ( 4.659 0.000 -1.679) 4.952 2.377 ( -0.381 0.000 12.094) 12.100 2.431 ( 10.823 0.000 2.029) 11.011 2.539 ( 2.215 0.000 0.872) 2.380 2.724 ( 6.630 0.000 4.153) 7.824 2.891 ( -0.944 0.000 18.992) 19.016 3.007 ( 3.640 0.000 -0.036) 3.640 3.154 ( -1.570 0.000 -4.751) 5.003 3.312 ( -3.504 0.000 7.443) 8.226 3.412 ( 1.187 0.000 -3.584) 3.776 3.449 ( -2.108 0.000 0.417) 2.149 3.688 ( -0.700 0.000 2.839) 2.924 3.766 ( 12.074 0.000 9.622) 15.439 3.984 ( -0.040 0.000 9.563) 9.563 3.988 ( 2.824 0.000 -8.453) 8.912 4.257 ( 9.760 0.000 -1.285) 9.844 4.270 ( -8.177 0.000 -2.518) 8.556 4.496 ( 5.154 0.000 0.102) 5.155 4.769 ( -3.411 0.000 -1.916) 3.912 4.860 ( -2.590 0.000 0.588) 2.656 4.982 ( 1.698 0.000 -5.369) 5.631 4.993 ( 4.139 0.000 1.251) 4.324 5.114 ( -5.482 0.000 -5.856) 8.022 5.194 ( 5.912 0.000 10.166) 11.760 5.470 ( -1.684 0.000 -4.396) 4.708 5.521 ( 4.178 0.000 0.345) 4.193 5.951 ( -7.658 0.000 -3.502) 8.420 6.065 ( -3.152 0.000 3.904) 5.017 6.459 ( 2.501 0.000 1.500) 2.917 6.538 ( -10.570 0.000 -0.238) 10.572 6.639 ( -2.058 0.000 0.385) 2.094 6.654 ( 5.499 0.000 -2.921) 6.227 6.718 ( 0.840 0.000 -1.241) 1.499 6.794 ( 3.928 0.000 2.236) 4.520 6.950 ( -8.040 0.000 1.893) 8.260 7.025 ( 3.729 0.000 0.589) 3.775 7.445 ( 4.483 0.000 -4.223) 6.158 7.600 ( 1.802 0.000 -9.201) 9.375 8.035 ( -2.455 0.000 1.883) 3.094 8.457 ( 0.597 0.000 -3.581) 3.631 8.505 ( 1.287 0.000 -1.387) 1.892 8.511 ( 0.945 0.000 -0.032) 0.945 8.559 ( 3.300 0.000 3.866) 5.083 8.747 ( 1.879 0.000 -2.640) 3.241 9.001 ( 0.638 0.000 -2.174) 2.266 9.046 ( 5.272 0.000 -1.452) 5.469 9.696 ( -9.137 0.000 2.001) 9.354 9.701 ( -4.231 0.000 7.113) 8.276 10.039 ( 12.652 0.000 5.585) 13.830 10.407 ( -3.455 0.000 -0.432) 3.482 10.492 ( 5.369 0.000 8.378) 9.951 10.695 ( 2.305 0.000 0.800) 2.440 10.770 ( 10.230 0.000 0.888) 10.269 10.992 ( 2.215 0.000 -12.156) 12.357 11.162 ( 3.734 0.000 -2.930) 4.746 11.309 ( -13.455 0.000 -3.303) 13.854 11.344 ( -10.727 0.000 -6.210) 12.395 11.417 ( 0.301 0.000 -13.878) 13.881 11.731 ( 0.527 0.000 -0.783) 0.944 12.119 ( 2.578 0.000 -11.163) 11.457 12.233 ( 6.911 0.000 7.771) 10.400 12.526 ( -3.817 0.000 -5.290) 6.524 12.672 ( 2.741 0.000 11.539) 11.860 13.111 ( -3.653 0.000 1.088) 3.812 13.248 ( -5.516 0.000 -5.852) 8.042 13.367 ( 4.936 0.000 -2.491) 5.529 13.600 ( -2.166 0.000 3.757) 4.336 13.905 ( 2.317 0.000 -1.942) 3.023 14.344 ( 1.626 0.000 3.397) 3.766 14.501 ( -1.251 0.000 4.791) 4.952 14.717 ( -3.493 0.000 -11.450) 11.970 14.771 ( -1.066 0.000 -5.015) 5.127 15.730 ( -6.763 0.000 1.791) 6.996 16.009 ( -2.163 0.000 10.499) 10.720 16.112 ( 1.263 0.000 -1.706) 2.123 16.769 ( 0.932 0.000 -6.486) 6.553 19.612 ( -1.540 0.000 4.246) 4.517 19.813 ( 2.326 0.000 2.130) 3.154 19.990 ( -0.573 0.000 7.649) 7.670 20.744 ( 16.265 0.000 9.632) 18.903 21.299 ( -11.569 0.000 0.862) 11.601 21.644 ( -0.298 0.000 11.309) 11.313 21.722 ( -2.583 0.000 13.825) 14.064 22.012 ( -3.036 0.000 6.633) 7.295 22.448 ( -0.032 0.000 -0.699) 0.700 22.922 ( -3.838 0.000 -9.706) 10.437 23.071 ( -0.619 0.000 5.012) 5.050 23.303 ( 0.110 0.000 0.487) 0.499 23.785 ( -0.987 0.000 -1.899) 2.140 24.197 ( 1.324 0.000 -0.203) 1.340 24.311 ( 2.044 0.000 -9.698) 9.911 24.484 ( 0.259 0.000 -6.789) 6.794 ======================= Grid point 74 (37/84) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -24.526 0.000 16.498) 29.558 1.165 ( -14.320 0.000 21.213) 25.594 1.721 ( -10.934 0.000 27.714) 29.792 1.992 ( -2.960 0.000 -2.834) 4.098 2.444 ( 6.386 0.000 4.084) 7.581 2.493 ( 3.257 0.000 5.741) 6.601 2.627 ( 4.510 0.000 10.418) 11.353 2.635 ( 6.060 0.000 3.444) 6.970 2.885 ( 3.324 0.000 5.313) 6.267 2.918 ( -2.092 0.000 17.898) 18.020 3.114 ( -0.556 0.000 -9.627) 9.643 3.212 ( 12.971 0.000 -0.806) 12.996 3.233 ( -4.421 0.000 10.471) 11.366 3.424 ( 0.184 0.000 1.286) 1.299 3.472 ( 5.154 0.000 -4.954) 7.149 3.712 ( 1.066 0.000 2.174) 2.422 3.963 ( 0.998 0.000 -3.126) 3.281 4.030 ( -1.584 0.000 5.012) 5.257 4.052 ( -5.451 0.000 0.140) 5.453 4.097 ( 9.221 0.000 3.246) 9.776 4.427 ( -8.421 0.000 0.566) 8.440 4.434 ( 6.145 0.000 -2.054) 6.479 4.762 ( 0.686 0.000 2.190) 2.295 4.819 ( -3.708 0.000 -5.823) 6.904 4.979 ( -3.769 0.000 -4.232) 5.667 5.036 ( 5.180 0.000 -9.355) 10.694 5.115 ( 7.419 0.000 3.948) 8.405 5.337 ( -0.584 0.000 8.682) 8.701 5.412 ( 0.786 0.000 -7.014) 7.058 5.577 ( 0.279 0.000 2.453) 2.469 5.839 ( -0.549 0.000 3.278) 3.323 5.984 ( -4.414 0.000 -0.677) 4.465 6.299 ( -10.165 0.000 -0.756) 10.193 6.503 ( -1.775 0.000 -2.602) 3.150 6.617 ( 1.376 0.000 3.661) 3.911 6.668 ( -1.275 0.000 -3.565) 3.786 6.770 ( -5.920 0.000 4.163) 7.237 6.775 ( 3.868 0.000 0.134) 3.870 6.941 ( 6.367 0.000 2.472) 6.830 7.029 ( -2.521 0.000 -1.128) 2.762 7.568 ( -2.306 0.000 -4.048) 4.659 7.606 ( 9.893 0.000 -4.825) 11.007 8.018 ( 1.357 0.000 -2.474) 2.822 8.302 ( -8.245 0.000 -1.177) 8.328 8.457 ( -2.400 0.000 -4.419) 5.028 8.630 ( -0.481 0.000 -6.513) 6.531 8.683 ( 2.941 0.000 4.644) 5.497 8.721 ( 3.248 0.000 -2.461) 4.075 9.051 ( 1.571 0.000 3.034) 3.417 9.183 ( 7.027 0.000 -0.983) 7.095 9.595 ( 1.843 0.000 -1.682) 2.495 9.609 ( -6.388 0.000 5.255) 8.271 10.301 ( 9.437 0.000 -5.253) 10.800 10.340 ( -2.119 0.000 -0.678) 2.225 10.727 ( -0.239 0.000 -0.485) 0.541 10.847 ( 17.604 0.000 13.517) 22.195 10.883 ( -7.955 0.000 -8.022) 11.298 11.026 ( 8.497 0.000 9.208) 12.530 11.047 ( -7.869 0.000 -10.870) 13.419 11.112 ( -0.589 0.000 -9.211) 9.230 11.350 ( 12.154 0.000 9.743) 15.577 11.391 ( 2.463 0.000 -15.853) 16.044 11.748 ( 0.388 0.000 -0.483) 0.620 12.038 ( -5.997 0.000 -7.914) 9.930 12.391 ( 4.315 0.000 7.439) 8.600 12.489 ( 0.836 0.000 -7.995) 8.038 12.673 ( -5.659 0.000 8.496) 10.208 12.930 ( -17.539 0.000 -10.195) 20.286 13.082 ( 1.114 0.000 2.437) 2.680 13.477 ( 3.453 0.000 -2.230) 4.110 13.530 ( -4.368 0.000 3.068) 5.337 13.897 ( -2.973 0.000 -5.355) 6.125 14.368 ( -0.740 0.000 0.477) 0.881 14.433 ( -6.077 0.000 -1.718) 6.315 14.661 ( 3.022 0.000 -0.203) 3.029 14.756 ( 1.142 0.000 -1.691) 2.041 15.655 ( -0.150 0.000 8.155) 8.156 15.988 ( -2.619 0.000 10.865) 11.176 16.133 ( 0.992 0.000 -2.075) 2.300 16.760 ( 0.277 0.000 -6.773) 6.779 19.611 ( 0.271 0.000 3.897) 3.906 19.872 ( 2.179 0.000 2.090) 3.019 19.988 ( -1.722 0.000 7.465) 7.662 20.866 ( -16.997 0.000 -13.680) 21.818 21.271 ( 15.951 0.000 15.246) 22.066 21.667 ( -1.332 0.000 10.651) 10.734 21.720 ( -1.567 0.000 15.421) 15.501 22.052 ( 7.050 0.000 9.372) 11.728 22.443 ( -0.100 0.000 -0.791) 0.798 22.764 ( -8.044 0.000 -7.949) 11.309 23.070 ( -0.941 0.000 6.833) 6.898 23.299 ( -0.413 0.000 -0.435) 0.600 23.771 ( 0.224 0.000 -0.918) 0.945 24.218 ( 0.483 0.000 -0.282) 0.559 24.325 ( 1.783 0.000 -9.483) 9.649 24.508 ( 4.141 0.000 -6.682) 7.861 ======================= Grid point 75 (38/84) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 3.516 15.954 20.468) 26.189 1.220 ( -0.083 11.157 22.743) 25.333 2.011 ( 0.153 5.589 -7.200) 9.116 2.064 ( -0.360 30.050 24.947) 39.058 2.542 ( -1.440 4.435 1.124) 4.796 2.628 ( -1.851 2.192 14.536) 14.817 2.681 ( -3.797 8.294 3.441) 9.749 2.759 ( 4.756 -5.220 -3.753) 7.997 2.856 ( 1.463 -0.923 2.050) 2.683 2.977 ( -1.913 5.802 12.397) 13.820 3.097 ( -5.710 -0.997 9.946) 11.512 3.220 ( -0.891 1.167 3.235) 3.553 3.422 ( -3.197 2.068 -5.855) 6.984 3.467 ( 1.811 2.096 0.897) 2.911 3.542 ( 5.082 2.102 0.085) 5.501 3.698 ( -1.029 1.755 1.150) 2.337 3.794 ( -6.802 0.533 -5.900) 9.020 4.029 ( -5.949 -0.282 -0.045) 5.956 4.135 ( 3.302 -1.047 5.938) 6.875 4.227 ( -1.776 0.048 5.624) 5.898 4.380 ( 9.706 4.545 0.698) 10.740 4.460 ( -6.803 -0.224 -1.409) 6.951 4.719 ( 2.943 2.525 -5.535) 6.758 4.814 ( -1.665 3.922 4.954) 6.534 4.964 ( 0.309 2.961 -1.108) 3.177 5.108 ( 5.795 -1.396 -6.605) 8.897 5.138 ( -3.797 -6.324 1.257) 7.482 5.356 ( 3.755 4.384 -0.969) 5.853 5.416 ( -0.690 -3.286 -1.521) 3.686 5.511 ( -1.450 -1.061 1.943) 2.646 5.823 ( -1.929 -5.083 -0.030) 5.437 6.007 ( 4.710 4.587 3.357) 7.382 6.090 ( -3.298 -3.060 -0.678) 4.550 6.382 ( -0.788 -3.163 -2.029) 3.840 6.575 ( -1.544 -3.569 1.440) 4.147 6.620 ( -0.529 -7.705 4.767) 9.076 6.764 ( 0.042 6.071 -2.725) 6.655 6.876 ( 1.316 -1.574 0.592) 2.136 6.942 ( -0.949 -1.012 1.047) 1.738 7.155 ( 3.952 3.606 -2.259) 5.808 7.562 ( -0.651 4.551 -2.281) 5.132 7.751 ( -0.268 0.183 -2.536) 2.556 8.090 ( 3.448 3.202 -4.930) 6.815 8.185 ( -1.099 1.423 0.550) 1.881 8.336 ( -1.815 -4.385 -5.088) 6.958 8.521 ( -4.785 1.039 -8.144) 9.502 8.640 ( -3.456 -2.989 3.177) 5.565 8.845 ( 2.268 -0.949 -0.973) 2.644 9.085 ( -0.776 3.257 3.772) 5.043 9.235 ( -3.640 -0.775 1.412) 3.980 9.486 ( 1.562 -3.105 0.640) 3.534 9.743 ( 9.139 -0.875 -1.274) 9.269 10.140 ( -6.059 -10.458 5.857) 13.431 10.446 ( 6.504 0.229 -4.974) 8.191 10.651 ( -9.250 2.206 -5.596) 11.034 10.678 ( -5.733 -1.928 -1.814) 6.314 10.732 ( -10.982 -1.509 1.061) 11.136 10.897 ( -1.026 -3.077 -4.129) 5.251 10.983 ( 1.615 0.242 -2.646) 3.109 11.335 ( 3.299 -5.154 -10.097) 11.807 11.357 ( 14.770 -3.071 0.062) 15.086 11.645 ( 5.237 -3.637 5.557) 8.458 11.676 ( 0.794 -0.019 4.127) 4.203 12.203 ( -9.813 -3.853 -6.629) 12.453 12.344 ( 9.809 3.073 -3.353) 10.812 12.382 ( -7.236 -0.057 -1.387) 7.368 12.635 ( 0.354 3.047 1.115) 3.264 12.685 ( 5.906 -5.899 5.102) 9.783 13.287 ( 0.090 1.459 -2.674) 3.047 13.380 ( 0.938 -6.651 0.376) 6.727 13.513 ( -2.332 4.410 -2.302) 5.494 13.712 ( -5.865 -2.460 -5.012) 8.098 14.261 ( 6.096 0.204 3.499) 7.032 14.583 ( -0.447 2.558 7.892) 8.308 14.701 ( -1.492 11.306 -6.154) 12.958 15.054 ( 3.695 13.112 -9.124) 16.395 15.754 ( 4.653 -1.779 7.217) 8.770 15.941 ( -1.338 -3.284 7.273) 8.092 16.193 ( 0.059 4.471 -2.326) 5.040 16.731 ( 1.942 -1.733 -7.283) 7.734 19.635 ( 0.827 -0.358 4.895) 4.977 19.885 ( -2.219 -1.397 2.763) 3.809 19.991 ( -1.605 2.655 4.661) 5.599 20.391 ( -12.139 -1.058 7.337) 14.224 21.385 ( 4.275 -10.592 7.252) 13.530 21.616 ( 1.258 -24.394 16.521) 29.489 21.708 ( -0.842 1.256 10.984) 11.088 21.773 ( -1.293 -2.039 12.301) 12.536 22.535 ( -1.508 -5.696 -1.121) 5.998 22.702 ( 2.709 -0.489 -3.718) 4.626 23.336 ( -0.149 4.524 -0.027) 4.527 23.360 ( -0.390 13.982 -2.877) 14.280 23.872 ( 0.077 5.823 -5.907) 8.295 24.233 ( 2.582 -1.153 -4.381) 5.214 24.407 ( 1.142 10.391 -8.037) 13.186 24.650 ( 2.345 5.593 -9.874) 11.588 ======================= Grid point 76 (39/84) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 13.630 2.857 23.470) 27.290 1.427 ( 8.672 8.680 20.261) 23.687 2.031 ( 3.949 5.803 -5.054) 8.650 2.170 ( 0.333 20.175 17.041) 26.411 2.425 ( -14.961 0.791 4.333) 15.596 2.475 ( -5.281 3.828 -1.643) 6.726 2.694 ( 1.490 10.755 11.274) 15.653 2.817 ( -2.164 1.904 -1.213) 3.127 2.860 ( 1.096 -0.487 3.245) 3.460 2.941 ( -4.162 1.835 1.911) 4.934 3.045 ( -1.645 7.354 19.004) 20.444 3.144 ( -11.657 -0.443 8.500) 14.434 3.247 ( -0.765 5.338 -6.858) 8.725 3.519 ( -0.271 1.319 -3.976) 4.198 3.610 ( 3.195 4.898 0.783) 5.900 3.706 ( -1.381 -4.549 -3.127) 5.690 3.746 ( 3.564 -1.511 5.681) 6.874 3.928 ( -2.420 -2.560 -1.431) 3.802 4.068 ( -11.939 3.011 1.961) 12.468 4.191 ( -2.836 1.094 7.931) 8.493 4.279 ( -4.577 4.902 -4.526) 8.091 4.538 ( 2.211 7.361 1.299) 7.795 4.773 ( 1.545 -0.322 -1.855) 2.436 4.830 ( 0.210 -2.579 0.465) 2.629 4.917 ( -0.061 2.079 4.634) 5.079 5.116 ( 0.474 -0.618 -4.459) 4.527 5.216 ( 0.197 -1.146 -5.877) 5.990 5.359 ( -0.419 0.317 -4.348) 4.380 5.380 ( -0.055 2.121 -1.456) 2.574 5.450 ( -2.997 2.777 2.238) 4.659 5.880 ( 5.293 -5.000 4.025) 8.320 6.093 ( 3.711 -4.672 -1.891) 6.259 6.159 ( 6.388 1.400 3.397) 7.369 6.408 ( 4.353 -1.905 -1.179) 4.896 6.567 ( 0.735 -3.038 0.904) 3.254 6.599 ( -2.378 -9.190 0.809) 9.527 6.736 ( -2.277 2.801 -0.538) 3.650 6.861 ( -0.504 -2.876 -0.633) 2.988 6.967 ( -0.585 -1.204 3.578) 3.820 7.188 ( -0.526 3.906 -2.170) 4.499 7.547 ( -0.290 3.674 -4.414) 5.750 7.652 ( -5.363 2.312 -2.664) 6.419 8.093 ( -1.315 0.797 0.516) 1.621 8.263 ( 3.686 0.598 -0.806) 3.820 8.311 ( 2.179 -2.981 -2.828) 4.651 8.449 ( 1.495 1.549 -6.196) 6.559 8.578 ( -1.907 -2.221 1.512) 3.294 8.825 ( -3.379 -1.293 -0.374) 3.638 9.054 ( -4.051 2.240 -0.300) 4.638 9.120 ( -2.602 3.855 1.513) 4.891 9.589 ( 5.162 -4.090 1.553) 6.767 9.900 ( 1.788 -1.908 2.894) 3.900 9.998 ( -6.227 -3.277 8.602) 11.114 10.442 ( -4.889 -0.143 -4.015) 6.328 10.534 ( 2.839 3.537 -5.391) 7.045 10.575 ( -3.604 0.356 -0.341) 3.637 10.631 ( -0.293 -0.635 -0.107) 0.708 10.864 ( -0.359 -2.323 -5.207) 5.713 11.011 ( 3.007 3.315 -2.738) 5.247 11.318 ( 1.667 -5.562 -10.310) 11.833 11.655 ( 2.689 -3.934 -0.339) 4.777 11.741 ( 6.130 -2.685 6.102) 9.057 11.761 ( 6.906 0.539 2.347) 7.314 11.962 ( -8.014 -4.574 -9.571) 13.294 12.133 ( -11.979 -1.862 -4.194) 12.827 12.456 ( 1.138 0.551 2.792) 3.065 12.683 ( 2.523 3.285 -2.547) 4.863 12.874 ( 5.599 -11.185 3.777) 13.066 13.241 ( -3.220 -2.345 -0.116) 3.985 13.420 ( 2.582 -1.943 -1.467) 3.549 13.533 ( 4.077 3.495 -0.486) 5.392 13.653 ( 1.462 -3.799 -2.601) 4.831 14.400 ( 4.020 6.197 1.589) 7.555 14.561 ( -2.157 -2.791 3.099) 4.695 14.716 ( 3.470 11.288 -3.636) 12.356 15.084 ( 1.516 13.831 -8.367) 16.236 15.829 ( 0.327 -4.572 5.683) 7.301 15.941 ( -0.896 -6.578 3.884) 7.691 16.175 ( -0.909 4.661 -1.629) 5.020 16.767 ( 3.010 0.640 -8.532) 9.070 19.663 ( -0.111 -0.117 5.043) 5.045 19.804 ( -4.306 -0.217 4.021) 5.896 19.978 ( -0.863 2.780 4.959) 5.750 20.306 ( 0.301 2.237 11.911) 12.123 21.409 ( -2.041 -9.360 5.433) 11.014 21.666 ( -1.942 -16.510 16.004) 23.076 21.706 ( -2.211 2.790 7.997) 8.754 21.819 ( 1.040 -10.907 10.367) 15.084 22.507 ( -0.509 -2.348 -0.669) 2.494 22.753 ( 2.602 -7.806 -4.911) 9.582 23.314 ( -1.723 10.281 -1.119) 10.484 23.352 ( 0.459 7.228 -0.147) 7.244 23.856 ( -0.082 3.417 -2.990) 4.541 24.239 ( -0.379 -0.197 -5.689) 5.705 24.410 ( 1.418 11.563 -8.064) 14.169 24.629 ( -1.030 4.718 -8.796) 10.035 ======================= Grid point 77 (40/84) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 2.064 4.525 21.998) 22.553 1.718 ( 15.830 -0.298 16.705) 23.016 1.974 ( -20.935 -1.091 7.337) 22.211 2.174 ( 6.526 6.390 5.766) 10.802 2.181 ( -1.797 6.562 3.997) 7.891 2.385 ( -2.522 6.053 -4.170) 7.771 2.687 ( -7.435 -1.437 0.848) 7.620 2.694 ( -2.821 10.957 -0.136) 11.315 2.822 ( -5.781 12.629 1.034) 13.927 2.936 ( -0.827 -3.308 0.826) 3.509 2.973 ( -0.975 10.658 16.504) 19.671 3.161 ( 2.613 -0.854 1.640) 3.201 3.301 ( 5.581 9.216 13.464) 17.244 3.467 ( -1.468 1.719 -7.415) 7.752 3.626 ( -3.012 9.562 2.912) 10.440 3.666 ( -2.303 -3.611 -0.463) 4.308 3.774 ( -9.937 5.814 4.768) 12.461 3.899 ( 5.142 -9.334 3.177) 11.120 3.925 ( 3.110 -1.459 4.498) 5.660 4.051 ( -5.204 2.964 -1.139) 6.096 4.301 ( 3.353 2.041 -3.196) 5.062 4.611 ( 2.937 9.910 1.103) 10.395 4.722 ( -4.195 -5.051 1.627) 6.764 4.837 ( 4.054 -2.765 0.257) 4.914 4.999 ( 1.099 3.642 2.841) 4.748 5.045 ( -5.217 1.655 -0.739) 5.522 5.113 ( -2.752 -1.168 -1.527) 3.357 5.305 ( -3.235 3.903 -8.300) 9.726 5.429 ( 1.465 -1.954 -1.191) 2.718 5.450 ( 2.530 2.243 0.415) 3.407 5.981 ( 1.134 -5.978 6.793) 9.119 6.127 ( -1.788 0.674 -2.982) 3.542 6.289 ( 4.725 -7.686 -0.141) 9.023 6.534 ( 2.926 -3.406 0.512) 4.519 6.583 ( 3.401 -0.785 -0.888) 3.602 6.612 ( 2.790 -4.376 1.322) 5.356 6.676 ( -1.371 -2.142 0.300) 2.561 6.871 ( 0.157 1.520 -0.762) 1.708 6.901 ( -3.719 -2.341 0.740) 4.456 7.130 ( -4.223 3.756 2.305) 6.103 7.499 ( -1.684 3.921 -3.098) 5.273 7.601 ( 1.734 3.079 -7.992) 8.739 8.072 ( -1.104 -0.395 3.878) 4.051 8.311 ( 3.298 -2.557 -1.487) 4.430 8.395 ( 4.150 0.198 1.683) 4.482 8.526 ( 2.890 -0.680 -6.138) 6.819 8.551 ( 0.248 -2.728 -0.338) 2.760 8.751 ( -1.767 1.295 0.353) 2.219 8.990 ( -0.170 1.620 -2.313) 2.829 9.091 ( -1.291 4.797 -0.507) 4.994 9.686 ( 1.832 -5.396 4.713) 7.395 9.849 ( -1.473 1.031 3.529) 3.960 9.934 ( -6.169 2.930 6.767) 9.614 10.367 ( -2.397 -5.742 -1.242) 6.345 10.503 ( -1.681 0.485 -0.098) 1.752 10.595 ( 3.684 0.483 -4.596) 5.911 10.670 ( 3.833 2.216 -0.602) 4.468 10.888 ( 4.172 -2.950 -7.068) 8.722 11.088 ( 4.282 1.564 -3.002) 5.458 11.343 ( 1.978 -6.100 -8.709) 10.815 11.569 ( -10.013 -3.437 -3.336) 11.099 11.627 ( -8.343 1.068 -6.020) 10.344 11.789 ( -8.241 -2.338 -5.516) 10.188 11.980 ( 8.376 -2.783 -1.758) 9.000 12.060 ( 6.053 -2.059 2.620) 6.910 12.505 ( 0.198 -3.626 9.098) 9.796 12.677 ( -0.311 3.370 -3.951) 5.202 12.944 ( 0.567 -10.800 2.193) 11.035 13.218 ( 1.542 -0.489 0.882) 1.842 13.461 ( 1.224 0.374 -3.675) 3.891 13.605 ( 2.165 1.986 0.731) 3.028 13.727 ( 4.561 -5.513 -0.070) 7.155 14.374 ( -5.854 1.138 5.497) 8.110 14.592 ( 3.754 4.286 -2.364) 6.168 14.780 ( 2.952 11.328 -3.914) 12.343 15.064 ( -0.807 14.030 -9.574) 17.005 15.783 ( -5.223 -6.650 0.782) 8.492 15.953 ( 0.356 -4.768 8.464) 9.721 16.154 ( -0.447 4.330 -0.651) 4.401 16.789 ( 1.351 1.446 -8.301) 8.533 19.647 ( -2.573 0.340 5.398) 5.989 19.777 ( 0.471 -0.168 4.014) 4.045 19.986 ( 0.046 2.274 5.190) 5.667 20.418 ( 6.046 -1.430 11.080) 12.703 21.355 ( -4.634 -9.292 5.200) 11.613 21.652 ( -3.292 -11.328 11.742) 16.645 21.677 ( -2.649 0.806 11.464) 11.794 21.845 ( -1.453 -7.531 8.919) 11.763 22.511 ( 0.887 0.541 -0.024) 1.040 22.769 ( 0.419 -13.912 -6.927) 15.547 23.283 ( -0.607 13.447 0.586) 13.473 23.366 ( 0.471 4.881 1.143) 5.035 23.848 ( 0.138 3.121 -2.511) 4.008 24.199 ( -1.307 -0.280 -5.023) 5.198 24.420 ( 1.784 10.652 -8.256) 13.594 24.578 ( -0.719 5.538 -7.822) 9.611 ======================= Grid point 78 (41/84) ======================= q-point: (-0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -25.212 -3.349 11.418) 27.879 1.605 ( -11.066 8.743 19.844) 24.346 2.128 ( 3.062 8.188 7.244) 11.353 2.153 ( 4.724 3.073 9.664) 11.187 2.322 ( -1.903 8.654 0.873) 8.904 2.421 ( 12.695 1.424 -1.823) 12.904 2.540 ( -5.311 10.512 5.960) 13.200 2.696 ( -3.010 9.616 5.496) 11.478 2.740 ( 3.742 8.163 1.445) 9.095 2.909 ( -1.977 -0.535 12.129) 12.300 3.050 ( 4.798 4.423 5.161) 8.320 3.200 ( 3.745 4.612 -6.237) 8.614 3.348 ( -2.968 2.862 1.570) 4.412 3.451 ( -2.448 4.468 4.897) 7.067 3.503 ( -4.839 2.034 -0.037) 5.249 3.642 ( -0.202 -0.942 2.157) 2.363 3.796 ( 8.021 -0.504 8.701) 11.845 3.956 ( 2.703 -3.962 -1.511) 5.029 3.991 ( 0.739 2.449 6.315) 6.813 4.154 ( 8.015 0.753 -1.424) 8.176 4.323 ( 0.748 -0.049 1.752) 1.906 4.555 ( -5.354 -3.387 -5.134) 8.155 4.739 ( 1.724 6.265 2.411) 6.931 4.930 ( -2.013 2.451 -3.283) 4.565 4.961 ( 1.613 -1.072 -1.584) 2.502 4.997 ( 2.904 1.698 -0.811) 3.460 5.156 ( 4.013 -1.724 8.935) 9.946 5.190 ( -4.817 4.643 -4.391) 8.003 5.418 ( -1.129 -3.102 -1.913) 3.816 5.502 ( 1.342 -1.413 -0.047) 1.949 5.952 ( -4.110 -4.644 2.131) 6.558 6.032 ( -4.539 0.775 -1.527) 4.851 6.377 ( 3.496 -6.267 2.937) 7.754 6.485 ( -9.469 -4.318 -0.895) 10.445 6.544 ( -1.500 -5.788 1.392) 6.139 6.690 ( 3.157 1.502 -0.673) 3.560 6.781 ( 1.379 5.024 -1.436) 5.405 6.802 ( 2.620 -2.679 -1.212) 3.939 6.928 ( 0.472 0.569 3.461) 3.539 7.052 ( -2.057 0.437 0.036) 2.103 7.518 ( 4.694 5.713 -3.541) 8.198 7.620 ( 1.655 2.187 -8.231) 8.676 8.050 ( -1.859 1.027 2.734) 3.462 8.368 ( -0.134 -4.809 -1.352) 4.997 8.478 ( -1.858 -1.660 -3.309) 4.142 8.507 ( 4.535 -1.653 2.817) 5.588 8.589 ( 3.383 -0.742 -1.611) 3.819 8.775 ( 1.727 1.890 -2.054) 3.282 9.021 ( 2.686 3.013 -1.133) 4.192 9.079 ( 1.803 2.717 -1.022) 3.417 9.641 ( -5.836 -4.201 3.397) 7.952 9.754 ( -7.910 2.923 3.358) 9.077 10.006 ( 10.986 -0.998 6.290) 12.698 10.302 ( -3.350 -7.135 0.447) 7.895 10.526 ( 4.351 1.024 3.500) 5.677 10.672 ( 4.241 -0.501 -1.713) 4.601 10.798 ( 7.760 0.546 -2.071) 8.050 10.946 ( 1.668 -3.136 -7.914) 8.675 11.161 ( 2.634 -0.190 -3.592) 4.458 11.228 ( -8.150 -6.757 -6.074) 12.206 11.331 ( -10.462 -0.747 -4.860) 11.560 11.458 ( -3.204 2.359 -10.621) 11.342 11.679 ( -1.236 -3.490 -0.159) 3.705 12.132 ( 6.300 0.298 -8.155) 10.309 12.218 ( 6.658 -1.928 7.863) 10.482 12.451 ( -4.326 -6.003 2.775) 7.903 12.720 ( 1.811 3.438 2.360) 4.546 12.896 ( -5.286 -9.762 0.817) 11.131 13.296 ( 3.968 -2.933 1.541) 5.170 13.428 ( -2.829 2.681 -6.660) 7.716 13.625 ( -0.691 2.347 0.423) 2.483 13.825 ( 4.022 -4.318 -0.143) 5.903 14.261 ( -5.244 -2.712 5.193) 7.862 14.629 ( -0.823 2.960 -1.833) 3.578 14.823 ( 2.310 17.023 -4.271) 17.702 14.995 ( -1.795 12.678 -11.531) 17.231 15.663 ( -5.147 -4.622 3.975) 7.978 15.980 ( -0.957 -2.435 9.479) 9.833 16.158 ( 1.076 3.865 -1.285) 4.213 16.774 ( -0.307 -0.063 -7.485) 7.492 19.612 ( -1.802 0.126 5.201) 5.505 19.820 ( 1.977 -0.190 3.683) 4.185 20.004 ( -0.171 1.949 5.464) 5.803 20.620 ( 9.012 -10.289 6.885) 15.313 21.225 ( -8.819 -5.591 7.566) 12.894 21.614 ( -3.022 -10.669 10.446) 15.234 21.669 ( -1.783 -1.758 13.905) 14.129 21.823 ( -2.918 -2.912 9.300) 10.173 22.536 ( 1.141 1.981 0.364) 2.315 22.733 ( -1.276 -13.545 -7.161) 15.374 23.297 ( 1.465 14.729 0.784) 14.823 23.374 ( -0.106 4.657 0.852) 4.735 23.851 ( 1.217 5.155 -3.940) 6.601 24.165 ( -0.323 -1.907 -3.622) 4.106 24.426 ( 1.022 8.872 -8.389) 12.253 24.563 ( 1.739 7.335 -7.617) 10.717 ======================= Grid point 79 (42/84) ======================= q-point: (-0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -10.875 7.698 18.754) 23.005 1.361 ( -14.941 13.851 18.518) 27.532 2.046 ( -3.099 8.711 -1.723) 9.405 2.125 ( -9.612 26.704 15.405) 32.293 2.453 ( 8.463 0.978 4.413) 9.594 2.559 ( 3.000 4.722 9.885) 11.358 2.652 ( 5.945 1.718 2.214) 6.572 2.701 ( 0.925 7.024 5.417) 8.918 2.818 ( 2.120 -1.440 -0.585) 2.629 2.941 ( 0.623 1.317 15.513) 15.581 3.151 ( 0.867 0.300 -0.718) 1.165 3.234 ( -2.236 1.979 3.787) 4.822 3.361 ( 5.867 9.979 2.295) 11.801 3.433 ( 1.181 1.203 -1.920) 2.555 3.475 ( 1.219 -1.572 -1.176) 2.311 3.676 ( 2.764 -0.711 3.386) 4.429 3.958 ( 1.034 -2.398 0.756) 2.719 3.988 ( 1.606 -1.521 3.473) 4.118 4.066 ( 2.043 2.332 4.686) 5.619 4.188 ( 3.252 6.718 -3.602) 8.287 4.369 ( -7.723 -4.461 -1.177) 8.996 4.457 ( 4.322 2.925 2.129) 5.636 4.777 ( 1.092 0.805 4.601) 4.797 4.830 ( -5.628 0.112 -7.012) 8.992 4.939 ( 0.643 -1.680 -3.649) 4.068 5.084 ( -0.102 2.385 -6.831) 7.236 5.145 ( 3.451 2.744 4.824) 6.536 5.282 ( 2.861 -4.601 7.599) 9.332 5.398 ( 0.777 0.142 -3.534) 3.621 5.511 ( 0.072 -3.014 0.194) 3.021 5.886 ( -2.152 -3.815 1.722) 4.707 5.958 ( -1.658 4.281 0.607) 4.631 6.249 ( -10.131 -3.925 -1.022) 10.913 6.416 ( -1.086 -6.521 0.698) 6.648 6.552 ( 1.801 -3.595 3.999) 5.671 6.691 ( -5.299 -3.513 1.101) 6.452 6.759 ( 0.076 2.331 -0.659) 2.424 6.818 ( 2.593 3.911 -3.110) 5.630 7.003 ( -2.241 -1.952 -0.950) 3.120 7.042 ( 5.807 4.472 1.117) 7.414 7.596 ( -0.861 2.867 -4.007) 5.002 7.663 ( 7.161 4.272 -3.538) 9.058 8.037 ( 1.165 1.967 -1.829) 2.927 8.283 ( -5.523 -1.612 -1.364) 5.913 8.405 ( -2.915 -3.206 -4.958) 6.585 8.615 ( 1.590 -3.815 2.736) 4.957 8.668 ( 0.573 1.282 -5.244) 5.429 8.768 ( 2.206 0.511 -1.506) 2.720 9.078 ( 1.170 3.122 3.321) 4.706 9.172 ( 5.798 -0.498 -0.215) 5.823 9.541 ( -3.156 -4.209 1.008) 5.356 9.637 ( -2.061 1.867 0.677) 2.863 10.218 ( -2.446 -8.980 6.721) 11.480 10.284 ( 9.223 -1.851 -6.260) 11.300 10.724 ( 4.068 -0.336 1.711) 4.426 10.790 ( 9.804 -2.973 9.323) 13.852 10.832 ( -3.739 -4.588 -7.582) 9.619 10.957 ( -0.506 -2.809 2.486) 3.785 11.023 ( -7.148 -2.539 -10.322) 12.809 11.102 ( -2.579 -0.403 -6.209) 6.736 11.305 ( 8.317 -3.671 -5.668) 10.713 11.436 ( 5.007 1.031 -1.221) 5.255 11.669 ( -0.591 -2.988 1.925) 3.603 12.185 ( 2.069 8.363 -7.383) 11.346 12.351 ( 1.192 -5.217 5.018) 7.336 12.442 ( 2.994 -2.135 0.981) 3.805 12.655 ( -7.742 -4.344 0.634) 8.900 12.761 ( -6.602 -2.453 -0.134) 7.044 13.316 ( -2.351 6.151 -5.999) 8.908 13.369 ( 0.588 -6.764 0.512) 6.808 13.583 ( -2.758 3.869 -1.496) 4.981 13.853 ( -2.223 -3.199 -5.413) 6.670 14.192 ( -1.909 -4.185 5.148) 6.904 14.577 ( -2.164 4.124 4.532) 6.498 14.792 ( -3.783 13.500 -6.181) 15.322 14.989 ( 4.552 14.069 -11.091) 18.484 15.638 ( 1.605 -0.699 9.014) 9.183 15.965 ( -2.830 -1.669 9.562) 10.111 16.183 ( 1.404 3.984 -2.290) 4.805 16.740 ( -0.433 -2.023 -6.858) 7.163 19.608 ( -0.001 -0.091 4.857) 4.858 19.873 ( 1.489 -0.741 3.762) 4.113 20.007 ( -1.083 2.288 5.034) 5.635 20.683 ( -8.827 -15.314 -4.796) 18.315 21.176 ( 5.561 -5.371 18.455) 20.009 21.588 ( -2.509 -15.120 12.721) 19.918 21.686 ( -0.882 -1.038 13.819) 13.886 21.788 ( -2.929 -0.077 10.456) 10.859 22.555 ( 0.255 -2.209 -0.276) 2.241 22.689 ( -0.415 -5.086 -5.313) 7.367 23.330 ( 1.012 12.071 -0.234) 12.116 23.369 ( -0.149 7.554 -0.913) 7.610 23.873 ( 1.878 7.737 -6.922) 10.550 24.176 ( 2.403 -2.842 -1.927) 4.191 24.414 ( 0.576 8.470 -8.336) 11.898 24.602 ( 3.798 7.703 -8.258) 11.915 ======================= Grid point 80 (43/84) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 3.401 20.877 11.767) 24.205 1.539 ( -5.293 17.998 15.488) 24.328 2.114 ( 1.205 3.153 -5.554) 6.500 2.575 ( 3.041 -3.626 3.428) 5.843 2.586 ( -5.501 8.017 9.820) 13.819 2.638 ( -4.692 -0.683 7.389) 8.779 2.756 ( -3.316 8.315 -4.498) 10.019 2.902 ( -0.023 6.944 2.129) 7.263 2.986 ( -0.951 17.254 8.177) 19.117 3.006 ( 0.430 0.649 5.027) 5.087 3.140 ( 3.479 2.232 4.116) 5.833 3.226 ( -4.642 3.328 6.738) 8.833 3.354 ( 3.910 -3.388 1.889) 5.508 3.477 ( 0.261 -1.320 1.105) 1.741 3.633 ( 0.027 -1.081 -3.107) 3.289 3.695 ( 0.859 3.193 -5.576) 6.482 3.926 ( -5.467 5.070 5.437) 9.228 4.018 ( -6.855 1.018 0.165) 6.932 4.158 ( 4.780 1.125 6.159) 7.877 4.207 ( -0.493 3.629 1.444) 3.937 4.461 ( -7.019 5.402 5.714) 10.540 4.614 ( 7.301 10.890 -0.321) 13.115 4.785 ( 1.646 0.120 -1.360) 2.138 4.833 ( 3.865 -0.014 7.229) 8.197 4.989 ( -0.841 -3.597 7.062) 7.970 5.059 ( 9.203 1.232 4.607) 10.365 5.099 ( -1.907 0.437 -8.612) 8.831 5.366 ( -0.305 0.703 -1.016) 1.273 5.472 ( -4.315 4.015 -2.873) 6.557 5.488 ( 2.096 -0.810 -1.832) 2.899 5.710 ( -1.150 -4.244 1.440) 4.627 5.946 ( -1.805 -6.081 -2.512) 6.823 6.189 ( 2.334 7.469 0.864) 7.873 6.269 ( -0.727 -5.629 -0.213) 5.680 6.475 ( -0.834 -5.944 3.717) 7.060 6.545 ( -2.449 0.816 -0.651) 2.662 6.763 ( -0.029 -4.130 3.513) 5.422 6.854 ( -3.582 -3.736 0.773) 5.233 6.939 ( 0.923 1.089 -3.254) 3.553 7.124 ( 2.568 -5.891 -2.758) 6.993 7.690 ( -0.374 6.596 -1.058) 6.691 7.759 ( -1.230 0.962 -0.657) 1.694 8.183 ( 2.424 4.176 -3.838) 6.168 8.220 ( -0.858 1.669 1.281) 2.272 8.256 ( -1.138 -1.828 -5.609) 6.008 8.500 ( -3.313 -2.700 -3.906) 5.790 8.583 ( -3.805 -2.442 -0.932) 4.616 8.746 ( 2.476 -7.855 1.263) 8.332 9.162 ( 0.884 2.542 5.524) 6.145 9.243 ( -1.630 1.352 -0.157) 2.123 9.432 ( 0.483 -0.142 -2.370) 2.423 9.718 ( 5.347 -1.621 -3.036) 6.359 10.035 ( -2.654 0.582 6.324) 6.883 10.432 ( 7.323 -1.998 -5.362) 9.293 10.615 ( -2.141 -3.848 -5.994) 7.437 10.655 ( -7.875 -1.667 -1.172) 8.134 10.714 ( -6.390 0.121 -1.986) 6.693 10.828 ( -2.201 -3.126 -4.965) 6.266 10.989 ( 6.194 0.547 -3.049) 6.925 11.208 ( -0.240 -6.661 -11.193) 13.027 11.301 ( 14.703 -1.396 6.660) 16.201 11.512 ( 5.941 -6.554 5.337) 10.332 11.739 ( 0.877 3.839 5.846) 7.049 12.067 ( -10.087 -6.873 -0.993) 12.246 12.383 ( -10.602 1.289 -2.359) 10.938 12.468 ( 6.247 5.055 -7.448) 10.957 12.591 ( 7.427 -1.923 3.772) 8.549 12.670 ( -0.273 -1.597 1.788) 2.413 13.232 ( -1.993 -3.595 -0.436) 4.133 13.244 ( 0.553 -5.057 0.584) 5.121 13.572 ( -2.327 0.705 -5.036) 5.592 13.661 ( -5.145 -2.076 -5.534) 7.836 14.345 ( 6.785 6.159 4.976) 10.427 14.599 ( -2.538 -0.177 4.853) 5.480 15.018 ( 0.936 15.310 -7.135) 16.917 15.279 ( 4.501 8.042 -10.315) 13.832 15.724 ( 0.644 -0.559 7.736) 7.783 15.869 ( -4.093 -3.420 6.685) 8.552 16.293 ( 0.755 4.877 -4.198) 6.479 16.661 ( 2.961 -4.983 -7.016) 9.101 19.636 ( 0.232 0.567 6.566) 6.594 19.823 ( -2.130 -4.228 7.446) 8.824 20.084 ( -0.570 5.933 0.498) 5.981 20.365 ( -3.015 -1.343 5.201) 6.160 21.156 ( 2.547 -8.786 14.678) 17.295 21.259 ( -3.714 -11.237 10.436) 15.779 21.706 ( -0.200 -0.447 10.730) 10.741 21.779 ( -2.573 -0.514 9.862) 10.205 22.440 ( -0.740 -2.208 0.917) 2.503 22.634 ( 0.095 -4.538 1.294) 4.720 23.435 ( -0.641 4.820 -0.156) 4.865 23.536 ( -0.249 4.139 -1.737) 4.495 23.962 ( -0.796 3.057 -6.233) 6.987 24.168 ( 2.465 -4.009 -4.381) 6.430 24.662 ( 2.450 11.045 -10.409) 15.374 24.785 ( 1.494 6.144 -11.769) 13.360 ======================= Grid point 81 (44/84) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 2.371 13.228 18.349) 22.744 1.674 ( 6.094 13.371 13.581) 20.009 2.142 ( 2.905 4.156 -6.565) 8.295 2.382 ( -16.569 -4.366 4.873) 17.814 2.496 ( -6.940 5.925 12.295) 15.312 2.615 ( -2.697 5.396 1.670) 6.259 2.696 ( 1.551 0.698 -5.515) 5.771 2.818 ( -7.412 -0.216 5.343) 9.140 2.974 ( -0.420 6.422 -1.349) 6.576 3.064 ( -2.203 1.973 10.865) 11.260 3.202 ( 1.190 10.751 1.363) 10.902 3.271 ( 5.791 8.945 14.868) 18.292 3.353 ( -4.200 2.116 -2.233) 5.207 3.522 ( 3.535 -7.423 -1.539) 8.365 3.584 ( -3.258 1.610 -6.321) 7.291 3.673 ( 0.644 2.001 -1.802) 2.769 3.841 ( -2.950 3.430 2.740) 5.289 3.897 ( -2.589 7.883 7.186) 10.977 4.137 ( -3.899 3.436 4.804) 7.078 4.264 ( -0.859 7.012 8.091) 10.741 4.377 ( -3.470 3.586 -2.849) 5.746 4.663 ( -0.900 4.527 2.885) 5.443 4.793 ( -0.417 0.351 0.427) 0.693 4.862 ( -3.771 4.473 1.984) 6.177 5.045 ( 4.312 5.296 -0.340) 6.838 5.066 ( 3.435 1.494 -3.313) 5.001 5.192 ( -4.724 -0.230 1.273) 4.898 5.339 ( -0.046 -1.893 3.808) 4.253 5.451 ( 2.768 3.185 -3.554) 5.517 5.514 ( 1.307 2.690 -3.062) 4.280 5.733 ( 3.341 -7.989 3.493) 9.338 5.956 ( 3.118 -6.830 -0.854) 7.556 6.225 ( -0.440 2.292 -1.287) 2.665 6.310 ( 5.476 -3.744 1.614) 6.827 6.444 ( -1.776 -6.818 2.084) 7.347 6.555 ( 2.446 1.852 -0.062) 3.069 6.713 ( -4.526 -3.488 -0.231) 5.718 6.811 ( 0.137 -2.164 2.082) 3.006 6.919 ( -2.787 -4.010 0.386) 4.899 7.168 ( 1.528 -5.226 -0.775) 5.500 7.665 ( -1.637 6.448 -3.060) 7.323 7.702 ( -2.568 2.601 -1.291) 3.876 8.116 ( -3.685 0.818 1.737) 4.155 8.221 ( -1.276 -3.523 -1.707) 4.117 8.317 ( 5.793 2.707 -4.269) 7.688 8.465 ( 2.433 0.246 -5.195) 5.741 8.522 ( -2.260 -2.490 0.675) 3.430 8.754 ( -1.192 -5.418 0.622) 5.582 9.131 ( -5.380 4.473 -1.742) 7.210 9.197 ( 0.125 3.038 4.267) 5.239 9.501 ( 4.119 -3.328 -0.722) 5.345 9.811 ( 3.002 -7.034 -1.940) 7.890 10.014 ( -0.835 5.503 4.971) 7.463 10.423 ( -5.566 -1.519 -2.025) 6.114 10.552 ( -1.809 -0.534 -2.466) 3.105 10.611 ( -2.153 1.306 -3.655) 4.439 10.625 ( 4.242 0.177 -5.312) 6.800 10.797 ( 1.055 -3.940 -6.481) 7.657 11.070 ( 2.533 0.952 -3.256) 4.233 11.212 ( 2.804 -2.261 -5.297) 6.405 11.574 ( 3.689 -3.306 2.992) 5.787 11.656 ( 5.962 -3.856 5.742) 9.131 11.737 ( 1.193 -4.375 -1.923) 4.925 11.879 ( -4.836 -3.776 0.326) 6.144 12.086 ( -14.140 0.061 -3.072) 14.470 12.462 ( -3.547 -2.491 1.023) 4.453 12.730 ( 3.107 1.665 -3.125) 4.711 12.749 ( 4.872 -1.012 2.136) 5.415 13.199 ( -0.401 -0.998 0.057) 1.077 13.325 ( 5.300 -5.387 -0.265) 7.561 13.552 ( 1.649 -1.032 -2.248) 2.973 13.587 ( 0.038 -2.330 -2.404) 3.348 14.514 ( 4.491 4.393 3.485) 7.184 14.541 ( -1.663 0.841 1.547) 2.422 15.044 ( 3.114 16.489 -6.956) 18.165 15.335 ( 2.854 9.376 -9.454) 13.618 15.737 ( -2.134 -3.599 4.830) 6.390 15.810 ( -2.081 -5.462 8.478) 10.298 16.286 ( -0.189 5.871 -3.290) 6.733 16.730 ( 4.562 -4.414 -8.540) 10.641 19.660 ( -0.126 0.039 6.587) 6.588 19.777 ( -3.639 -2.318 7.620) 8.756 20.076 ( -0.284 6.238 0.530) 6.267 20.346 ( -0.298 1.023 6.160) 6.252 21.205 ( -3.157 -9.339 8.397) 12.949 21.266 ( 1.882 -14.469 15.329) 21.163 21.731 ( -1.102 -0.253 8.137) 8.215 21.760 ( -1.566 -1.345 11.514) 11.698 22.434 ( 0.152 -2.342 0.984) 2.545 22.615 ( -2.078 -5.449 0.974) 5.913 23.432 ( 0.334 4.689 0.232) 4.707 23.518 ( -0.613 4.847 -2.090) 5.313 23.932 ( -0.333 3.648 -3.941) 5.381 24.182 ( 0.279 -4.100 -5.237) 6.657 24.671 ( 1.355 10.932 -10.225) 15.029 24.759 ( -0.259 6.538 -10.646) 12.496 ======================= Grid point 82 (45/84) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 5.388 2.650 17.054) 18.080 1.816 ( 4.187 5.948 11.763) 13.830 1.990 ( -16.742 3.790 9.405) 19.573 2.221 ( 7.129 2.545 -6.083) 9.711 2.403 ( -5.276 6.154 10.669) 13.399 2.568 ( -2.368 9.681 -0.340) 9.972 2.657 ( -3.264 1.824 4.332) 5.722 2.745 ( 0.796 -5.316 1.881) 5.695 2.948 ( -1.774 2.496 8.074) 8.635 3.029 ( -2.501 9.647 0.779) 9.997 3.207 ( -0.654 8.397 2.028) 8.663 3.287 ( 1.442 7.999 -4.555) 9.317 3.437 ( 3.511 0.666 6.540) 7.453 3.489 ( -3.414 0.242 -5.818) 6.750 3.562 ( -0.598 -5.343 0.104) 5.377 3.639 ( -2.062 -8.781 -0.577) 9.039 3.847 ( 1.496 7.044 1.828) 7.430 3.985 ( 2.334 12.563 9.777) 16.090 4.067 ( -1.383 14.473 10.500) 17.934 4.130 ( -6.577 5.749 2.730) 9.152 4.362 ( 1.240 3.568 -4.601) 5.953 4.577 ( -7.877 -0.982 2.407) 8.295 4.811 ( 3.254 -0.602 2.710) 4.277 4.881 ( 3.837 7.924 2.523) 9.158 5.024 ( -6.569 -0.475 -1.221) 6.698 5.053 ( -1.809 -0.603 -6.694) 6.961 5.174 ( 3.330 4.675 5.781) 8.146 5.345 ( -1.621 3.173 -2.500) 4.352 5.433 ( -1.636 0.971 -1.014) 2.155 5.529 ( -0.189 5.597 -1.906) 5.916 5.795 ( -0.317 -11.252 5.778) 12.653 6.052 ( 3.453 -7.030 -2.166) 8.126 6.221 ( 0.500 0.545 0.425) 0.853 6.388 ( 1.744 -6.083 3.229) 7.104 6.498 ( 2.186 -5.532 1.454) 6.123 6.569 ( 0.477 -5.069 0.547) 5.121 6.700 ( 3.635 5.208 -0.414) 6.364 6.829 ( 0.195 -3.764 2.494) 4.520 6.855 ( -0.557 -3.599 -0.912) 3.754 7.145 ( -4.463 -2.991 2.174) 5.795 7.618 ( -0.540 6.747 -2.681) 7.280 7.672 ( 0.627 3.633 -4.823) 6.071 8.059 ( -2.026 -0.669 5.281) 5.696 8.238 ( 3.419 -4.406 -1.927) 5.900 8.416 ( 3.837 1.256 -2.530) 4.765 8.464 ( -3.200 -3.357 0.438) 4.659 8.521 ( 2.611 -0.335 -6.084) 6.629 8.748 ( 1.246 -2.071 0.158) 2.422 9.050 ( -0.997 3.761 -1.468) 4.159 9.191 ( -1.554 3.666 2.707) 4.815 9.570 ( 1.848 -4.334 0.343) 4.724 9.825 ( -0.276 -6.189 -3.588) 7.159 10.021 ( -0.781 7.200 6.391) 9.659 10.290 ( -5.960 -0.451 -1.084) 6.074 10.510 ( -1.077 0.259 -2.327) 2.577 10.600 ( 2.189 0.417 -3.593) 4.228 10.692 ( 3.567 -1.555 -5.826) 7.006 10.833 ( 4.261 -2.841 -7.098) 8.753 11.129 ( 3.437 2.736 -2.699) 5.156 11.226 ( -1.883 -2.070 -4.172) 5.023 11.496 ( -7.540 -3.738 -4.624) 9.602 11.637 ( -4.168 -0.717 -4.508) 6.181 11.714 ( -7.580 -4.825 -4.283) 9.954 11.937 ( 5.776 -6.020 2.012) 8.582 11.958 ( 6.038 -1.508 7.042) 9.398 12.373 ( -5.303 -8.568 7.621) 12.634 12.769 ( 2.547 4.511 -4.756) 7.033 12.821 ( 1.166 -1.011 -0.610) 1.660 13.211 ( 1.214 0.188 0.435) 1.303 13.406 ( 2.000 -4.475 -2.260) 5.397 13.601 ( 2.394 -1.746 0.023) 2.964 13.647 ( 4.856 -2.455 0.955) 5.524 14.426 ( -6.226 4.414 4.147) 8.686 14.648 ( 3.668 1.060 -0.220) 3.824 15.101 ( 4.160 14.994 -8.469) 17.716 15.318 ( -1.914 9.093 -9.701) 13.433 15.666 ( -3.886 -2.982 3.301) 5.907 15.852 ( 2.042 -4.650 9.141) 10.457 16.271 ( -0.274 6.901 -2.213) 7.253 16.771 ( 1.451 -3.661 -9.006) 9.830 19.655 ( -2.416 0.369 6.875) 7.296 19.749 ( -0.650 -2.213 7.569) 7.913 20.076 ( 0.160 5.919 0.622) 5.954 20.379 ( 1.304 -2.216 4.946) 5.575 21.161 ( -3.568 -8.011 10.490) 13.672 21.330 ( -0.434 -13.880 13.379) 19.284 21.702 ( -2.980 0.370 8.114) 8.652 21.789 ( 0.033 -1.925 10.630) 10.803 22.460 ( 2.119 -3.961 0.304) 4.502 22.559 ( -2.972 -5.156 1.082) 6.049 23.449 ( 0.962 4.502 0.797) 4.673 23.505 ( 0.027 5.719 -1.223) 5.848 23.925 ( 0.733 3.818 -3.290) 5.093 24.157 ( -0.881 -3.214 -5.022) 6.027 24.658 ( 0.500 10.453 -10.190) 14.607 24.729 ( 0.845 7.424 -9.805) 12.327 ======================= Grid point 83 (46/84) ======================= q-point: (-0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -15.558 7.856 10.475) 20.335 1.850 ( -7.294 13.642 16.881) 22.897 2.074 ( 9.461 -6.446 6.074) 12.960 2.317 ( -1.878 7.267 2.338) 7.861 2.434 ( 11.401 1.866 -2.038) 11.731 2.578 ( 3.766 9.852 12.771) 16.564 2.668 ( 0.391 6.360 2.097) 6.708 2.805 ( 3.984 -4.008 5.565) 7.931 2.940 ( -2.475 6.692 1.110) 7.221 3.003 ( 2.296 7.617 0.273) 7.960 3.199 ( -1.418 11.126 3.696) 11.809 3.333 ( -3.064 1.400 -4.469) 5.597 3.384 ( 3.113 1.826 -3.442) 4.987 3.465 ( -1.754 -1.239 -1.784) 2.792 3.556 ( -2.897 1.026 10.137) 10.593 3.628 ( 1.193 -3.373 -4.639) 5.858 3.819 ( -2.540 9.385 10.927) 14.626 3.973 ( 2.516 5.784 2.416) 6.755 4.055 ( -0.483 2.853 2.253) 3.668 4.261 ( 6.218 8.738 10.579) 15.064 4.347 ( -1.299 2.689 -4.228) 5.177 4.468 ( -1.197 -1.940 1.632) 2.804 4.877 ( -5.141 2.160 -0.196) 5.580 4.900 ( -0.535 -1.446 3.699) 4.008 4.936 ( 0.790 -0.456 -2.813) 2.957 5.035 ( 3.004 -0.777 -2.191) 3.799 5.245 ( -4.072 2.914 0.639) 5.048 5.280 ( 3.023 9.762 4.141) 11.027 5.392 ( -2.397 0.574 -1.764) 3.031 5.495 ( -1.282 1.570 -1.994) 2.843 5.778 ( -1.644 -8.771 3.711) 9.664 6.057 ( -0.599 -1.661 -2.576) 3.123 6.259 ( 1.266 -3.079 3.573) 4.884 6.393 ( -7.885 -4.004 -0.284) 8.848 6.436 ( 0.953 -4.194 2.800) 5.132 6.674 ( 5.297 -5.206 2.463) 7.825 6.724 ( -1.755 -1.052 -0.724) 2.171 6.874 ( 1.143 2.625 -1.826) 3.396 6.921 ( 5.728 -2.567 2.402) 6.721 7.020 ( -5.128 -3.179 0.744) 6.079 7.642 ( 3.043 5.667 -3.463) 7.305 7.694 ( 2.613 4.530 -4.214) 6.716 8.057 ( -0.046 -0.294 4.688) 4.697 8.309 ( 1.466 -0.957 -2.195) 2.808 8.407 ( -1.231 -5.393 -0.727) 5.579 8.479 ( 2.869 -1.524 -0.197) 3.255 8.526 ( 0.946 -2.147 -4.151) 4.769 8.785 ( 0.858 -1.630 -2.205) 2.874 9.081 ( 3.587 1.931 -0.237) 4.081 9.160 ( -1.573 3.339 2.693) 4.569 9.550 ( -3.162 -2.303 -1.315) 4.127 9.782 ( -4.197 -1.621 -1.653) 4.793 10.057 ( 4.821 5.426 4.858) 8.735 10.176 ( -4.284 -3.070 0.110) 5.271 10.537 ( 4.953 0.488 -0.276) 4.984 10.673 ( 5.324 0.153 -3.886) 6.593 10.742 ( 1.773 -5.089 -5.497) 7.698 10.919 ( 4.899 -1.338 -7.544) 9.094 11.084 ( -7.116 -4.201 -6.545) 10.542 11.163 ( 0.350 0.376 -2.536) 2.588 11.309 ( -9.433 -1.340 -1.742) 9.686 11.473 ( -5.743 -1.742 -8.412) 10.333 11.638 ( -0.070 0.549 1.968) 2.044 12.104 ( 7.765 -5.488 -0.108) 9.509 12.131 ( 7.109 -3.659 6.862) 10.537 12.308 ( -1.656 -7.187 5.865) 9.423 12.776 ( -4.959 0.401 -1.569) 5.216 12.803 ( 0.809 2.103 -3.860) 4.470 13.244 ( 1.121 -1.381 1.311) 2.210 13.394 ( -2.276 -4.230 -3.194) 5.768 13.643 ( 1.362 -0.439 -0.532) 1.526 13.759 ( 4.432 -2.623 -0.069) 5.151 14.305 ( -5.744 6.169 4.658) 9.631 14.673 ( -1.305 0.094 1.514) 2.001 15.149 ( 1.232 11.713 -9.925) 15.401 15.215 ( -2.195 7.666 -11.138) 13.698 15.624 ( -0.948 2.230 6.126) 6.588 15.919 ( 0.907 -3.304 8.221) 8.907 16.266 ( 0.652 6.516 -2.889) 7.157 16.738 ( -1.743 -3.886 -8.158) 9.203 19.622 ( -2.072 0.900 6.929) 7.288 19.779 ( 0.808 -3.412 7.445) 8.230 20.085 ( 0.351 5.444 0.964) 5.539 20.418 ( 0.821 -7.298 2.978) 7.925 21.114 ( -4.087 -4.516 13.285) 14.615 21.335 ( -2.513 -12.357 11.831) 17.292 21.674 ( -1.848 0.548 9.219) 9.418 21.810 ( -1.163 -1.243 10.054) 10.197 22.490 ( -1.287 -6.820 -1.451) 7.090 22.537 ( 2.329 -2.069 2.684) 4.112 23.467 ( 0.062 4.175 1.108) 4.320 23.513 ( 1.006 5.784 -0.845) 5.932 23.948 ( 2.605 3.647 -4.628) 6.443 24.121 ( -0.791 -2.360 -4.190) 4.873 24.639 ( 0.923 10.213 -10.325) 14.552 24.737 ( 2.584 7.654 -10.069) 12.909 ======================= Grid point 84 (47/84) ======================= q-point: (-0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.059 18.174 12.476) 22.044 1.702 ( -10.410 18.093 15.476) 25.985 2.130 ( -1.006 -0.113 -3.622) 3.760 2.428 ( 8.014 -0.809 4.501) 9.227 2.611 ( 2.859 4.853 7.318) 9.235 2.670 ( -1.262 3.689 6.391) 7.487 2.741 ( 4.482 8.962 5.175) 11.278 2.884 ( 0.459 8.783 -2.945) 9.275 2.940 ( 3.945 2.643 5.624) 7.360 3.011 ( -2.504 16.594 4.108) 17.277 3.165 ( -3.776 5.791 2.664) 7.409 3.255 ( 0.503 -2.134 -0.769) 2.324 3.337 ( -4.966 -4.244 2.614) 7.036 3.494 ( -2.554 3.089 7.543) 8.542 3.560 ( 6.719 0.981 -2.650) 7.288 3.660 ( 2.893 0.572 -5.306) 6.071 3.960 ( 8.046 3.494 10.104) 13.381 4.015 ( 0.343 4.494 0.710) 4.563 4.066 ( -0.749 -1.938 5.391) 5.778 4.274 ( -4.318 -0.695 -1.638) 4.670 4.402 ( 8.472 9.620 0.142) 12.819 4.538 ( 3.008 1.628 6.375) 7.235 4.778 ( -3.758 0.827 4.771) 6.130 4.795 ( -3.880 -1.424 -3.305) 5.292 4.960 ( -0.931 -0.758 3.897) 4.078 5.086 ( -3.610 3.551 -3.433) 6.118 5.125 ( -1.009 -4.660 0.459) 4.790 5.328 ( 1.751 5.713 2.053) 6.318 5.416 ( 3.959 -1.353 -4.524) 6.162 5.513 ( 2.096 6.324 2.652) 7.170 5.752 ( -2.202 -6.691 1.390) 7.180 6.023 ( -2.582 -3.119 -2.822) 4.935 6.212 ( -5.434 3.243 0.503) 6.348 6.283 ( -0.800 -4.668 1.954) 5.123 6.463 ( 0.602 -4.262 3.347) 5.452 6.645 ( -5.149 -1.213 -1.272) 5.441 6.760 ( -0.017 -2.233 3.859) 4.458 6.844 ( 1.600 -2.773 -0.965) 3.344 6.964 ( -1.092 -0.939 -3.822) 4.084 7.058 ( 4.444 -3.092 0.679) 5.456 7.688 ( 1.500 5.344 -3.252) 6.433 7.746 ( 2.289 3.322 -1.183) 4.204 8.095 ( 3.142 3.038 1.180) 4.527 8.269 ( -2.400 1.257 -3.281) 4.255 8.350 ( -3.904 -2.335 -4.604) 6.472 8.533 ( 1.138 -3.845 1.803) 4.396 8.615 ( 5.643 -6.219 0.197) 8.399 8.728 ( -4.372 -3.250 -4.604) 7.133 9.140 ( -0.463 0.932 5.285) 5.387 9.184 ( 4.434 0.916 -0.039) 4.528 9.488 ( -1.875 1.581 -3.544) 4.310 9.674 ( -2.541 1.119 -1.562) 3.185 10.087 ( -3.920 -2.230 6.210) 7.674 10.250 ( 9.954 -0.876 -3.822) 10.698 10.695 ( -0.281 -5.704 -5.397) 7.857 10.706 ( 3.735 -2.751 2.441) 5.242 10.786 ( 3.959 0.772 -1.899) 4.458 10.928 ( -2.354 -3.583 -8.005) 9.080 10.941 ( -4.383 -1.294 -3.235) 5.600 11.108 ( -3.925 0.932 -0.760) 4.106 11.217 ( 5.200 -4.299 -8.741) 11.042 11.391 ( 0.508 -4.758 1.192) 4.932 11.677 ( 2.226 3.538 4.888) 6.432 12.191 ( -1.050 -9.002 4.780) 10.246 12.304 ( 8.262 2.761 -4.495) 9.803 12.395 ( 7.403 -3.082 6.071) 10.058 12.603 ( -9.417 1.174 -1.856) 9.669 12.759 ( -3.937 0.281 -4.071) 5.670 13.250 ( -0.920 -3.766 1.018) 4.008 13.308 ( -3.834 -3.897 -2.382) 5.963 13.640 ( -1.458 1.100 -3.491) 3.940 13.784 ( -2.434 -3.181 -5.162) 6.534 14.244 ( -0.270 7.235 6.771) 9.913 14.632 ( -2.460 -0.080 4.720) 5.323 15.064 ( -2.928 11.531 -8.053) 14.367 15.223 ( 3.856 7.741 -12.974) 15.592 15.665 ( 2.018 3.449 8.043) 8.981 15.924 ( -2.663 -2.335 7.895) 8.653 16.280 ( 1.491 5.135 -4.243) 6.826 16.670 ( -1.503 -4.724 -6.872) 8.473 19.616 ( -0.522 0.944 6.665) 6.752 19.817 ( 0.207 -4.347 7.559) 8.722 20.091 ( -0.154 5.409 0.809) 5.471 20.417 ( -1.995 -8.006 2.720) 8.687 21.091 ( -1.486 -3.220 15.490) 15.891 21.305 ( -3.419 -11.440 10.757) 16.071 21.680 ( -0.575 0.142 10.527) 10.543 21.802 ( -2.291 -0.638 9.812) 10.096 22.458 ( -1.162 -3.595 0.281) 3.789 22.602 ( 2.308 -3.750 1.472) 4.642 23.456 ( -1.053 4.694 0.256) 4.817 23.534 ( 0.815 4.502 -0.843) 4.653 23.985 ( 1.477 2.826 -7.691) 8.326 24.118 ( 2.070 -2.632 -2.582) 4.228 24.640 ( 2.251 10.849 -10.573) 15.315 24.768 ( 3.048 6.907 -11.004) 13.345 ======================= Grid point 85 (48/84) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 4.559 14.659 6.330) 16.605 1.948 ( -8.375 17.144 8.801) 21.012 2.099 ( 2.603 -2.395 1.052) 3.690 2.395 ( -4.772 -16.282 4.957) 17.676 2.559 ( -3.272 1.248 2.286) 4.182 2.617 ( -3.532 -2.972 5.693) 7.329 2.942 ( -1.445 6.431 -5.941) 8.873 3.011 ( 2.222 0.282 2.726) 3.528 3.030 ( 0.568 4.611 5.435) 7.150 3.157 ( -7.179 0.502 5.873) 9.289 3.217 ( 3.327 5.138 1.330) 6.264 3.260 ( 2.004 -1.335 -1.654) 2.921 3.394 ( -2.821 -1.256 2.781) 4.156 3.424 ( -3.552 -4.235 -4.128) 6.899 3.676 ( 1.330 5.930 -1.004) 6.160 3.748 ( -2.936 0.555 0.117) 2.990 4.048 ( 1.046 13.676 8.684) 16.234 4.106 ( 0.465 4.760 1.871) 5.136 4.162 ( 1.538 0.854 6.148) 6.395 4.338 ( 1.306 2.947 1.332) 3.487 4.488 ( 2.213 -5.734 11.104) 12.692 4.608 ( 3.050 -11.356 9.237) 14.953 4.835 ( -4.097 11.197 3.174) 12.338 4.929 ( 5.168 4.990 1.704) 7.384 5.011 ( 10.349 2.055 3.490) 11.114 5.029 ( 0.208 -3.230 1.489) 3.563 5.130 ( 0.040 5.165 -1.113) 5.284 5.334 ( -5.765 -9.847 -2.588) 11.700 5.436 ( -0.021 2.222 -2.743) 3.530 5.506 ( 0.763 -3.018 -0.761) 3.205 5.743 ( -1.189 6.532 -1.435) 6.793 5.851 ( -2.471 -3.364 -3.763) 5.620 6.191 ( -0.527 0.396 -0.218) 0.694 6.255 ( 1.114 -3.960 0.047) 4.114 6.469 ( -2.446 6.407 -0.795) 6.904 6.564 ( -1.259 -0.966 -2.524) 2.981 6.698 ( -0.819 -0.367 5.829) 5.898 6.752 ( 0.429 -4.672 6.194) 7.770 6.921 ( -2.726 -1.627 -2.209) 3.868 6.971 ( 0.694 -6.675 -1.777) 6.942 7.785 ( -0.797 2.281 0.487) 2.465 7.798 ( -0.416 1.682 -1.704) 2.430 8.198 ( -2.550 0.698 -3.270) 4.205 8.232 ( -1.991 -1.093 0.305) 2.291 8.329 ( 1.814 5.585 -2.927) 6.561 8.432 ( -0.519 -3.792 -2.681) 4.673 8.542 ( -1.928 -0.904 -2.451) 3.246 8.586 ( 2.372 -5.736 0.407) 6.220 9.192 ( 1.763 1.263 5.408) 5.827 9.229 ( 1.597 -2.110 3.360) 4.277 9.525 ( -2.566 7.105 -5.997) 9.645 9.656 ( 0.370 -4.700 -5.016) 6.884 10.136 ( 1.556 8.056 1.062) 8.273 10.323 ( 3.527 -8.436 -3.835) 9.915 10.568 ( 1.208 0.333 -4.929) 5.086 10.607 ( -2.157 -2.634 -2.690) 4.339 10.733 ( -4.308 1.583 -3.222) 5.607 10.773 ( -3.451 -2.190 -4.459) 6.049 11.011 ( 4.224 1.945 -4.915) 6.766 11.082 ( 0.871 -4.877 -8.191) 9.573 11.311 ( 10.966 2.248 7.083) 13.247 11.389 ( 8.022 -5.032 6.067) 11.247 11.828 ( -2.608 4.608 4.506) 6.953 11.935 ( -7.122 -5.689 1.768) 9.285 12.439 ( -10.331 3.951 -3.608) 11.634 12.515 ( -2.486 -1.434 -5.988) 6.641 12.576 ( 9.709 0.362 2.852) 10.125 12.606 ( 3.996 -2.846 3.972) 6.312 13.179 ( 0.189 -0.809 -0.320) 0.890 13.188 ( -0.915 -1.324 -0.648) 1.735 13.584 ( -3.571 1.058 -5.334) 6.505 13.619 ( -4.351 -2.023 -5.988) 7.673 14.472 ( 3.657 5.489 5.463) 8.565 14.564 ( 0.011 -3.187 4.912) 5.855 15.280 ( 3.573 8.897 -7.739) 12.322 15.371 ( 4.976 0.256 -9.081) 10.358 15.741 ( -3.127 2.132 7.033) 7.987 15.800 ( -5.037 -3.186 6.256) 8.640 16.401 ( 1.579 5.683 -5.650) 8.168 16.533 ( 2.491 -6.710 -6.436) 9.625 19.664 ( -0.540 2.259 8.147) 8.472 19.731 ( -1.284 -4.033 8.912) 9.866 20.219 ( 0.332 6.310 -1.387) 6.469 20.323 ( 0.387 -3.283 0.447) 3.336 21.047 ( -1.528 -1.757 13.889) 14.083 21.084 ( -3.026 -5.301 11.693) 13.190 21.709 ( -0.768 0.938 8.627) 8.712 21.745 ( -1.780 -2.187 8.089) 8.567 22.452 ( -0.902 2.891 3.922) 4.955 22.536 ( -0.841 -4.631 4.080) 6.229 23.525 ( -0.495 3.483 -0.728) 3.592 23.570 ( -0.278 -0.536 -1.258) 1.395 24.021 ( 0.056 2.834 -4.291) 5.143 24.087 ( 1.238 -3.562 -3.649) 5.247 24.830 ( 2.186 4.940 -11.191) 12.426 24.868 ( 1.772 1.283 -12.057) 12.254 ======================= Grid point 86 (49/84) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -6.753 15.591 10.761) 20.112 1.923 ( 0.868 7.796 7.176) 10.631 2.169 ( 3.519 -2.308 -0.434) 4.231 2.203 ( -9.793 -9.994 5.876) 15.176 2.504 ( -4.680 -0.193 5.664) 7.350 2.558 ( -2.810 -4.644 3.368) 6.388 2.900 ( -3.702 11.536 0.543) 12.127 2.938 ( -6.539 8.661 4.028) 11.576 3.023 ( -4.590 -0.621 8.862) 10.000 3.150 ( 6.729 -2.286 -0.975) 7.173 3.244 ( -2.033 0.745 1.059) 2.410 3.305 ( 1.032 -0.287 -4.434) 4.562 3.350 ( 0.177 -2.378 2.887) 3.745 3.376 ( 1.381 -6.556 -1.081) 6.786 3.607 ( -6.003 0.756 0.887) 6.115 3.645 ( -6.205 -2.515 0.246) 6.699 4.092 ( -2.211 10.353 -1.696) 10.722 4.171 ( 5.379 12.009 6.852) 14.836 4.207 ( 2.485 7.556 6.898) 10.529 4.393 ( 3.056 2.041 -0.035) 3.675 4.467 ( -7.574 5.353 4.477) 10.299 4.652 ( -2.251 -10.371 7.613) 13.060 4.779 ( -1.831 5.986 4.805) 7.891 4.961 ( 0.670 -4.644 -1.504) 4.927 4.996 ( 0.935 3.406 0.128) 3.535 5.119 ( -1.291 -5.161 5.315) 7.520 5.304 ( 8.604 9.247 0.609) 12.646 5.345 ( -2.756 4.228 -0.114) 5.048 5.465 ( -0.148 -2.876 -2.242) 3.649 5.480 ( 6.924 -5.665 2.083) 9.186 5.693 ( -1.194 4.961 -3.204) 6.025 5.819 ( 0.853 -6.310 -1.943) 6.657 6.211 ( 1.960 1.294 0.445) 2.391 6.300 ( 1.394 -6.169 1.374) 6.473 6.387 ( -2.951 6.127 -0.657) 6.832 6.513 ( -3.288 -5.418 -1.870) 6.607 6.737 ( 2.571 3.029 5.103) 6.467 6.756 ( -1.032 -2.061 3.492) 4.184 6.840 ( -3.522 0.468 -0.668) 3.616 6.998 ( 1.821 -9.968 0.777) 10.162 7.762 ( -1.334 2.719 -0.288) 3.042 7.772 ( -1.356 2.621 -0.471) 2.988 8.115 ( -2.764 -0.002 -2.163) 3.510 8.151 ( -4.132 -3.036 -1.520) 5.348 8.391 ( 3.724 3.744 -4.540) 6.964 8.452 ( 1.943 -1.951 -3.851) 4.734 8.516 ( 0.110 2.758 -0.110) 2.763 8.621 ( 1.166 -6.495 1.098) 6.690 9.208 ( -3.245 2.431 1.977) 4.510 9.233 ( -0.918 0.172 5.912) 5.985 9.497 ( 1.870 3.750 -5.308) 6.763 9.638 ( 0.261 -8.533 -5.762) 10.300 10.184 ( 1.900 9.311 0.552) 9.519 10.353 ( -0.118 -5.940 -1.236) 6.069 10.554 ( -0.863 1.265 -3.578) 3.892 10.595 ( 1.395 -2.021 -3.033) 3.903 10.650 ( -1.896 1.932 -6.465) 7.009 10.711 ( -0.092 -3.850 -7.055) 8.038 11.098 ( 6.027 3.414 -4.119) 8.059 11.183 ( 7.946 -2.999 -3.707) 9.267 11.538 ( 5.153 0.293 6.623) 8.397 11.585 ( 8.346 -3.607 8.256) 12.281 11.673 ( -10.174 1.132 -3.948) 10.971 11.765 ( -8.254 -6.237 -0.854) 10.381 12.174 ( -11.393 7.149 0.805) 13.475 12.340 ( -8.939 -7.892 2.133) 12.114 12.758 ( 6.064 1.505 -1.810) 6.506 12.772 ( 6.015 0.764 -2.115) 6.422 13.197 ( 1.654 0.662 -0.209) 1.794 13.233 ( 4.192 -3.006 -0.158) 5.161 13.533 ( 0.581 -0.032 -2.346) 2.417 13.551 ( 0.120 -1.405 -2.820) 3.152 14.568 ( 1.064 1.206 2.336) 2.836 14.573 ( 1.454 1.082 3.850) 4.255 15.334 ( 2.982 10.279 -8.594) 13.726 15.444 ( 3.364 0.248 -9.788) 10.353 15.693 ( -3.357 -0.468 5.837) 6.750 15.719 ( -2.422 -2.974 8.523) 9.347 16.426 ( 2.011 7.593 -5.061) 9.344 16.594 ( 4.177 -7.930 -6.886) 11.303 19.674 ( -1.043 1.425 8.163) 8.352 19.719 ( -2.250 -2.777 8.780) 9.480 20.217 ( -0.023 6.658 -1.646) 6.859 20.326 ( -0.129 -3.214 0.133) 3.219 21.060 ( -2.342 -3.477 13.023) 13.681 21.074 ( -0.395 -4.755 13.096) 13.938 21.720 ( -0.824 -0.286 8.143) 8.189 21.730 ( -1.851 -1.212 8.504) 8.787 22.439 ( -1.270 2.421 4.028) 4.868 22.513 ( -2.158 -4.334 4.210) 6.416 23.519 ( 0.191 3.362 -0.580) 3.417 23.560 ( -0.040 -0.315 -1.464) 1.498 24.009 ( 0.060 3.754 -3.587) 5.193 24.092 ( 0.338 -4.218 -3.876) 5.738 24.833 ( 1.306 4.424 -11.090) 12.011 24.857 ( 0.736 2.096 -11.574) 11.786 ======================= Grid point 87 (50/84) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.606 4.786 11.445) 12.421 1.850 ( -6.978 -2.094 7.976) 10.802 2.149 ( 0.917 8.948 9.269) 12.917 2.257 ( 6.003 -0.327 -1.700) 6.247 2.417 ( -3.823 -0.064 6.307) 7.375 2.521 ( -0.689 -8.568 4.780) 9.835 2.788 ( -4.307 8.025 8.581) 12.514 2.859 ( -2.656 6.793 5.308) 9.021 2.983 ( -1.255 4.260 4.483) 6.311 3.178 ( -3.135 -3.867 -0.075) 4.979 3.261 ( 0.921 2.767 -3.062) 4.228 3.340 ( 4.302 1.613 -2.368) 5.169 3.392 ( 1.704 -3.140 -0.448) 3.600 3.431 ( 1.908 -4.897 -0.703) 5.302 3.494 ( -5.004 -1.392 4.091) 6.611 3.513 ( -1.406 -3.124 1.995) 3.964 4.022 ( -2.524 9.379 -3.822) 10.438 4.160 ( -4.765 -2.568 -5.057) 7.408 4.336 ( 0.995 16.617 8.214) 18.563 4.369 ( 2.395 10.165 5.317) 11.719 4.447 ( 1.436 3.208 -1.342) 3.762 4.597 ( -5.467 -3.455 5.905) 8.758 4.761 ( -0.875 1.098 6.068) 6.229 4.934 ( -2.222 -8.703 0.114) 8.983 5.028 ( -2.823 4.840 2.023) 5.957 5.080 ( -3.465 2.406 -0.446) 4.242 5.231 ( -0.463 4.338 3.323) 5.484 5.374 ( -3.449 -6.458 -0.930) 7.380 5.489 ( 3.508 5.763 -2.520) 7.202 5.592 ( 0.492 -5.972 -0.308) 6.000 5.698 ( 1.789 9.819 0.445) 9.990 5.892 ( 4.173 -8.288 -0.247) 9.283 6.248 ( 0.089 2.009 1.363) 2.430 6.302 ( 1.027 -2.816 4.238) 5.191 6.411 ( 1.495 -1.832 1.640) 2.878 6.448 ( -0.423 -4.995 1.442) 5.217 6.752 ( -0.146 -2.520 1.823) 3.114 6.759 ( -0.055 -2.738 1.244) 3.008 6.846 ( 3.106 7.014 1.909) 7.905 7.016 ( -1.677 -8.279 2.759) 8.886 7.739 ( -0.655 3.727 -1.478) 4.063 7.746 ( 0.266 2.731 -1.669) 3.212 8.058 ( -1.639 1.103 2.535) 3.214 8.129 ( 2.281 -5.343 -0.502) 5.831 8.416 ( -0.984 0.227 -4.159) 4.280 8.436 ( -0.515 -1.027 -5.772) 5.885 8.559 ( 2.742 4.272 -2.029) 5.467 8.668 ( 2.743 -5.187 -0.013) 5.868 9.136 ( -2.781 4.222 2.100) 5.474 9.209 ( -2.810 -1.969 5.572) 6.544 9.543 ( 3.248 2.044 -5.329) 6.567 9.652 ( 2.692 -7.964 -6.555) 10.660 10.198 ( -1.220 7.983 2.743) 8.529 10.298 ( -4.807 -1.055 1.104) 5.044 10.530 ( 0.114 2.617 -5.570) 6.155 10.616 ( 1.479 -3.569 -1.961) 4.333 10.632 ( 2.297 1.738 -7.825) 8.339 10.727 ( 3.883 -6.283 -9.331) 11.901 11.225 ( 4.275 6.344 -3.224) 8.302 11.291 ( -0.307 5.095 -0.536) 5.133 11.405 ( -8.623 -3.368 -7.374) 11.835 11.527 ( -8.576 -9.293 -5.601) 13.831 11.675 ( 1.918 1.936 3.349) 4.318 11.768 ( 6.290 -6.877 6.802) 11.537 12.026 ( -2.016 5.865 5.298) 8.156 12.183 ( -5.675 -8.770 6.539) 12.323 12.834 ( 2.228 2.186 -4.601) 5.560 12.850 ( 2.228 1.227 -4.219) 4.926 13.232 ( 1.170 1.991 -0.138) 2.313 13.303 ( 1.728 -4.671 -1.247) 5.134 13.580 ( 3.230 0.292 0.733) 3.325 13.606 ( 4.341 -1.734 0.774) 4.738 14.534 ( -3.108 5.291 3.097) 6.874 14.627 ( 0.635 -3.055 2.130) 3.778 15.339 ( 0.243 7.383 -9.306) 11.881 15.413 ( -3.125 0.151 -8.557) 9.111 15.679 ( 0.957 3.256 4.389) 5.548 15.760 ( 2.777 -4.152 6.963) 8.569 16.444 ( 0.807 9.379 -4.776) 10.556 16.639 ( 1.515 -8.516 -7.377) 11.368 19.667 ( -1.964 0.994 8.285) 8.572 19.701 ( -1.665 -2.124 8.755) 9.162 20.210 ( -0.039 6.317 -1.776) 6.562 20.319 ( -0.393 -3.863 -0.633) 3.934 21.056 ( -1.874 -1.532 13.699) 13.911 21.110 ( -0.565 -6.778 13.758) 15.348 21.707 ( -1.899 0.598 7.303) 7.570 21.738 ( -0.399 -2.346 8.275) 8.610 22.431 ( -0.470 1.228 3.787) 4.008 22.482 ( -1.610 -3.109 4.753) 5.903 23.529 ( 0.687 2.965 -0.054) 3.044 23.561 ( 0.449 0.144 -1.018) 1.122 24.003 ( 0.490 3.711 -3.329) 5.009 24.081 ( -0.097 -3.756 -3.797) 5.342 24.819 ( 0.754 4.474 -11.351) 12.224 24.839 ( 1.206 2.446 -11.169) 11.497 ======================= Grid point 88 (51/84) ======================= q-point: (-0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -4.501 11.024 8.052) 14.374 1.890 ( 3.772 -9.305 6.752) 12.099 2.170 ( -3.465 14.562 12.433) 19.458 2.383 ( 0.289 -2.455 6.693) 7.135 2.465 ( 9.328 1.851 -0.706) 9.536 2.567 ( 2.611 -8.867 6.141) 11.098 2.817 ( 4.039 7.406 7.688) 11.414 2.866 ( 1.757 7.344 6.366) 9.877 3.002 ( 1.717 1.446 3.459) 4.124 3.121 ( -0.581 -2.819 -4.462) 5.310 3.219 ( -2.410 1.672 -2.499) 3.853 3.334 ( -1.599 -4.941 -3.353) 6.181 3.389 ( -0.010 1.957 5.543) 5.879 3.478 ( 1.032 -5.501 6.678) 8.713 3.514 ( 4.171 6.058 -2.484) 7.763 3.616 ( 6.788 -2.290 -1.633) 7.348 3.985 ( 0.618 5.893 -2.321) 6.364 4.069 ( -1.012 -0.619 -6.337) 6.447 4.307 ( -8.803 18.928 9.824) 23.071 4.380 ( -3.879 3.638 2.091) 5.715 4.423 ( -1.357 0.920 4.932) 5.198 4.517 ( -0.669 4.325 2.243) 4.918 4.771 ( -0.669 -4.429 5.141) 6.819 4.863 ( -4.374 -7.505 0.758) 8.719 4.988 ( -0.066 0.821 3.197) 3.301 4.997 ( -3.268 -1.047 1.163) 3.623 5.263 ( 2.701 2.450 0.161) 3.650 5.334 ( -0.140 -1.644 -1.808) 2.448 5.529 ( -5.708 1.801 -0.986) 6.066 5.535 ( 1.693 3.272 -1.297) 3.906 5.735 ( 1.168 7.560 2.525) 8.056 5.935 ( -0.028 -8.617 -1.168) 8.696 6.260 ( 0.199 1.554 2.530) 2.976 6.312 ( -1.905 -3.551 1.403) 4.267 6.417 ( 1.227 2.911 2.777) 4.206 6.530 ( 4.698 -7.104 2.001) 8.749 6.734 ( -2.086 1.909 2.988) 4.114 6.820 ( 1.962 -5.841 3.254) 6.968 6.902 ( 0.770 1.067 -0.118) 1.321 6.947 ( -2.499 -3.228 1.079) 4.222 7.744 ( 1.756 3.655 -2.484) 4.755 7.770 ( 1.924 1.580 -1.386) 2.849 8.083 ( 2.722 3.829 2.897) 5.519 8.214 ( 4.538 -7.652 1.808) 9.079 8.366 ( -1.578 1.443 -3.431) 4.042 8.414 ( 0.247 -3.106 -2.940) 4.284 8.575 ( -0.670 5.257 -4.582) 7.005 8.702 ( -0.067 -5.885 -3.223) 6.710 9.117 ( 0.340 1.892 2.681) 3.299 9.163 ( -2.470 -2.114 5.206) 6.137 9.582 ( 1.822 4.252 -6.431) 7.922 9.690 ( 1.613 -5.679 -5.962) 8.390 10.171 ( -1.232 3.861 4.453) 6.021 10.190 ( -3.970 2.179 0.457) 4.552 10.559 ( 4.048 2.209 -4.052) 6.139 10.633 ( 0.466 -4.147 -5.917) 7.240 10.695 ( 5.066 1.813 -2.480) 5.925 10.795 ( 4.475 -7.557 -9.891) 13.227 11.122 ( -7.521 4.496 -7.366) 11.447 11.175 ( -5.870 0.002 -6.113) 8.475 11.290 ( -5.134 0.956 0.770) 5.279 11.383 ( -5.043 -6.000 -3.781) 8.703 11.722 ( 2.314 7.174 4.707) 8.887 11.912 ( 4.529 -10.168 6.650) 12.966 12.113 ( 7.343 0.886 3.990) 8.404 12.174 ( 3.432 -4.951 5.625) 8.243 12.816 ( -3.164 2.725 -4.332) 6.017 12.845 ( -1.237 0.550 -5.900) 6.053 13.239 ( -0.619 1.019 0.302) 1.230 13.295 ( -1.946 -4.303 -1.136) 4.857 13.651 ( 2.617 1.617 0.161) 3.081 13.702 ( 3.605 -2.839 -0.297) 4.598 14.462 ( -4.166 7.935 4.295) 9.938 14.611 ( -2.630 -5.675 3.475) 7.155 15.302 ( -1.590 3.529 -8.693) 9.515 15.315 ( -1.152 2.073 -9.155) 9.457 15.729 ( 1.712 6.089 4.498) 7.761 15.840 ( 1.987 -4.399 5.655) 7.435 16.429 ( -0.564 8.771 -5.198) 10.211 16.610 ( -1.715 -7.930 -7.167) 10.826 19.651 ( -1.675 1.872 8.337) 8.707 19.704 ( -0.674 -3.270 8.866) 9.473 20.208 ( 0.327 5.710 -1.521) 5.918 20.310 ( -0.145 -4.189 -0.857) 4.278 21.057 ( -2.235 -0.252 14.462) 14.636 21.127 ( -1.914 -7.014 13.290) 15.149 21.695 ( -1.220 1.811 7.303) 7.623 21.753 ( -0.673 -3.451 7.690) 8.455 22.438 ( -0.040 1.060 3.516) 3.673 22.487 ( 0.577 -2.763 4.966) 5.712 23.542 ( 0.307 2.703 0.239) 2.731 23.570 ( 0.489 0.289 -0.632) 0.850 24.012 ( 1.309 2.734 -3.734) 4.810 24.068 ( 0.031 -2.657 -3.624) 4.494 24.806 ( 1.520 5.102 -11.477) 12.651 24.841 ( 2.161 1.807 -11.480) 11.820 ======================= Grid point 89 (52/84) ======================= q-point: (-0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.280 16.872 6.495) 18.579 1.996 ( 3.276 -8.915 3.114) 9.996 2.101 ( -5.196 16.169 10.606) 20.023 2.390 ( -0.053 -6.591 6.908) 9.548 2.608 ( 0.778 -2.414 2.303) 3.426 2.627 ( 1.335 -3.058 5.413) 6.359 2.934 ( 3.844 7.089 9.657) 12.581 2.969 ( 3.749 4.203 0.253) 5.637 3.010 ( -1.929 1.179 -2.195) 3.151 3.141 ( 2.058 -6.755 -1.585) 7.238 3.184 ( 2.171 7.172 -2.866) 8.022 3.308 ( -3.344 -0.972 1.358) 3.738 3.453 ( 3.122 -4.958 -0.863) 5.922 3.470 ( -4.062 -1.910 4.245) 6.178 3.578 ( 4.245 14.683 -0.040) 15.284 3.737 ( 4.108 0.600 -1.382) 4.376 4.038 ( 1.824 1.495 -2.219) 3.238 4.073 ( 3.708 0.773 -2.055) 4.309 4.139 ( -6.355 12.472 12.996) 19.101 4.333 ( -1.603 7.158 3.918) 8.316 4.410 ( -0.216 -9.735 8.654) 13.027 4.540 ( 1.185 -4.855 6.123) 7.903 4.788 ( 1.713 -1.148 7.766) 8.035 4.808 ( 2.201 0.520 0.086) 2.263 4.928 ( -3.383 4.542 3.997) 6.932 5.036 ( 1.722 -3.890 -1.848) 4.638 5.273 ( -6.733 9.822 -2.812) 12.236 5.363 ( 2.847 -0.351 -2.282) 3.666 5.397 ( 1.002 0.967 -0.015) 1.393 5.562 ( -2.280 -9.914 1.225) 10.246 5.742 ( -0.312 10.091 0.182) 10.098 5.911 ( -1.266 -5.850 -2.645) 6.543 6.236 ( -2.849 0.432 0.444) 2.916 6.267 ( -1.687 -1.322 0.133) 2.148 6.468 ( 1.949 6.142 1.247) 6.564 6.606 ( 0.254 -4.494 -3.393) 5.637 6.699 ( -0.330 -0.951 6.704) 6.779 6.753 ( -4.834 -4.603 3.391) 7.487 6.935 ( 1.994 -1.252 -1.193) 2.640 6.966 ( 0.643 -3.995 0.785) 4.121 7.783 ( 1.839 2.912 -2.304) 4.143 7.797 ( 0.626 1.297 -1.504) 2.083 8.165 ( 3.539 4.213 1.954) 5.839 8.269 ( -0.603 -4.669 0.157) 4.711 8.344 ( -0.366 3.859 -2.197) 4.456 8.440 ( 1.377 -5.284 0.712) 5.506 8.539 ( 0.542 1.559 -3.723) 4.072 8.632 ( -4.337 -5.616 -5.691) 9.096 9.146 ( 0.514 0.334 4.905) 4.944 9.166 ( 2.247 -1.554 2.732) 3.864 9.586 ( 0.047 5.381 -6.528) 8.460 9.666 ( -1.038 -2.069 -4.511) 5.070 10.128 ( -1.398 5.350 2.019) 5.887 10.231 ( 4.815 -2.497 -0.945) 5.505 10.590 ( -1.104 -1.975 -6.797) 7.164 10.635 ( 1.383 -4.514 -2.574) 5.377 10.799 ( 2.272 0.418 -2.283) 3.248 10.826 ( 0.117 -2.961 -4.456) 5.351 11.001 ( -1.180 4.650 -6.656) 8.205 11.100 ( 0.732 -3.814 -6.351) 7.444 11.174 ( -2.011 2.506 0.176) 3.217 11.272 ( -2.125 -5.872 2.614) 6.769 11.802 ( 2.529 8.009 6.003) 10.323 11.992 ( 0.612 -9.684 5.631) 11.219 12.322 ( 10.569 0.014 0.348) 10.575 12.338 ( 9.316 -1.805 4.057) 10.320 12.672 ( -8.446 4.258 -3.278) 10.011 12.745 ( -6.450 -2.139 -5.273) 8.602 13.208 ( -1.993 -0.373 -0.168) 2.035 13.232 ( -2.789 -2.607 -0.768) 3.894 13.666 ( -1.372 1.913 -3.434) 4.163 13.720 ( -1.866 -2.972 -4.592) 5.780 14.415 ( -0.852 8.145 6.412) 10.401 14.564 ( -2.049 -5.783 5.400) 8.173 15.254 ( 0.676 6.195 -7.722) 9.923 15.312 ( 2.892 0.739 -9.878) 10.320 15.763 ( -0.420 5.231 5.820) 7.836 15.861 ( -1.919 -3.876 5.959) 7.364 16.401 ( -0.001 6.520 -5.815) 8.736 16.545 ( -1.484 -6.859 -6.576) 9.618 19.651 ( -0.746 2.458 8.233) 8.625 19.721 ( -0.522 -4.219 8.988) 9.943 20.213 ( 0.508 5.669 -1.310) 5.841 20.311 ( 0.435 -3.829 -0.158) 3.857 21.049 ( -2.507 -0.087 14.206) 14.426 21.113 ( -2.922 -6.403 12.350) 14.215 21.699 ( -0.739 1.826 7.976) 8.215 21.755 ( -1.369 -3.159 7.738) 8.469 22.450 ( -0.075 2.317 3.777) 4.431 22.521 ( 0.799 -3.930 4.364) 5.927 23.539 ( -0.491 3.073 -0.250) 3.122 23.575 ( 0.113 -0.143 -0.693) 0.716 24.027 ( 0.908 1.741 -4.702) 5.096 24.068 ( 1.128 -2.164 -3.151) 3.985 24.814 ( 2.413 5.325 -11.467) 12.872 24.857 ( 2.551 1.208 -11.923) 12.252 ======================= Grid point 105 (53/84) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 4.794 0.000 19.589) 20.167 1.592 ( 5.227 0.000 20.189) 20.855 1.819 ( -2.586 0.000 -3.503) 4.354 2.154 ( 0.743 0.000 13.288) 13.309 2.463 ( 1.377 0.000 -1.980) 2.412 2.630 ( -3.740 0.000 5.013) 6.254 2.781 ( 1.072 0.000 4.694) 4.815 2.805 ( 2.668 0.000 -4.477) 5.212 2.840 ( -8.158 0.000 -7.024) 10.766 2.944 ( 2.790 0.000 -2.983) 4.085 3.255 ( -0.422 0.000 7.287) 7.299 3.284 ( -4.404 0.000 -3.987) 5.941 3.472 ( -3.527 0.000 7.458) 8.250 3.515 ( 4.608 0.000 1.767) 4.936 3.565 ( -4.417 0.000 16.805) 17.375 3.711 ( 2.825 0.000 7.474) 7.990 3.828 ( -0.632 0.000 1.464) 1.595 3.971 ( -4.594 0.000 0.536) 4.625 4.234 ( 9.339 0.000 -0.323) 9.345 4.289 ( -11.420 0.000 -10.896) 15.784 4.344 ( -5.093 0.000 7.878) 9.381 4.479 ( 1.198 0.000 7.150) 7.250 4.634 ( 5.967 0.000 0.347) 5.977 4.822 ( -1.086 0.000 0.866) 1.389 4.894 ( 4.852 0.000 -4.271) 6.465 4.908 ( 5.781 0.000 -8.387) 10.186 5.059 ( -6.509 0.000 -7.833) 10.185 5.304 ( 0.980 0.000 -4.288) 4.398 5.504 ( -0.379 0.000 1.596) 1.640 5.505 ( -4.125 0.000 -3.141) 5.185 5.905 ( -0.313 0.000 3.258) 3.273 6.033 ( 1.476 0.000 0.200) 1.490 6.142 ( -0.593 0.000 5.155) 5.189 6.361 ( 1.407 0.000 -3.235) 3.528 6.569 ( -0.796 0.000 -1.450) 1.655 6.649 ( -0.940 0.000 -3.150) 3.287 6.853 ( 0.662 0.000 3.372) 3.437 6.906 ( -3.592 0.000 -2.214) 4.219 6.958 ( 6.632 0.000 3.203) 7.365 7.061 ( 0.894 0.000 -0.345) 0.959 7.497 ( -2.836 0.000 1.093) 3.039 7.647 ( 2.928 0.000 -5.239) 6.001 8.034 ( 3.523 0.000 0.109) 3.525 8.134 ( -2.250 0.000 -4.081) 4.660 8.341 ( 0.406 0.000 -1.495) 1.549 8.356 ( -5.041 0.000 -2.991) 5.862 8.726 ( -3.817 0.000 1.663) 4.164 8.807 ( 3.883 0.000 -2.229) 4.477 9.129 ( -3.071 0.000 4.312) 5.294 9.257 ( -0.983 0.000 -0.960) 1.375 9.585 ( -3.890 0.000 4.992) 6.329 9.738 ( 12.629 0.000 -1.220) 12.688 10.301 ( -1.518 0.000 -0.402) 1.570 10.374 ( 5.490 0.000 -1.941) 5.823 10.509 ( -11.333 0.000 -3.518) 11.866 10.626 ( -1.152 0.000 -5.800) 5.913 10.799 ( -7.492 0.000 2.730) 7.974 10.912 ( -1.459 0.000 -0.490) 1.539 10.913 ( -4.094 0.000 -2.179) 4.637 11.117 ( 3.206 0.000 -13.037) 13.426 11.486 ( 13.891 0.000 6.835) 15.482 11.682 ( -1.255 0.000 -0.650) 1.413 11.771 ( 2.362 0.000 1.925) 3.047 12.000 ( -6.452 0.000 -9.444) 11.437 12.297 ( 13.868 0.000 -1.817) 13.987 12.359 ( -11.290 0.000 -2.244) 11.511 12.720 ( -7.348 0.000 7.260) 10.330 12.844 ( 12.255 0.000 0.197) 12.256 13.228 ( 2.912 0.000 4.503) 5.363 13.400 ( -2.603 0.000 -4.233) 4.969 13.536 ( -0.031 0.000 3.572) 3.572 13.668 ( -4.294 0.000 -3.520) 5.553 14.328 ( -1.155 0.000 0.997) 1.526 14.434 ( 3.340 0.000 -3.005) 4.492 14.722 ( 1.316 0.000 1.660) 2.119 14.782 ( 0.638 0.000 -0.940) 1.136 15.883 ( 2.653 0.000 5.217) 5.853 16.074 ( 0.071 0.000 -4.148) 4.148 16.184 ( -1.702 0.000 11.482) 11.607 16.589 ( 0.855 0.000 -9.280) 9.320 19.723 ( 1.265 0.000 4.352) 4.532 19.865 ( -2.063 0.000 -2.666) 3.371 20.129 ( -2.174 0.000 9.487) 9.733 20.441 ( -4.593 0.000 -3.299) 5.655 21.671 ( 0.769 0.000 11.235) 11.262 21.846 ( -2.013 0.000 7.857) 8.111 22.004 ( -1.681 0.000 10.545) 10.678 22.257 ( 2.635 0.000 -5.064) 5.709 22.441 ( -0.605 0.000 2.158) 2.241 22.598 ( 2.995 0.000 -2.266) 3.755 23.198 ( -0.825 0.000 4.432) 4.508 23.273 ( 0.576 0.000 -1.029) 1.179 23.811 ( 0.356 0.000 3.469) 3.487 24.122 ( 1.164 0.000 -11.178) 11.239 24.210 ( -1.341 0.000 0.811) 1.568 24.406 ( 2.953 0.000 -9.415) 9.867 ======================= Grid point 106 (54/84) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 12.427 0.000 11.586) 16.990 1.840 ( 10.749 0.000 8.118) 13.470 1.844 ( 6.367 0.000 7.277) 9.670 2.195 ( 1.322 0.000 1.281) 1.840 2.444 ( -11.443 0.000 -0.872) 11.476 2.532 ( 1.975 0.000 8.510) 8.736 2.563 ( -14.284 0.000 1.106) 14.327 2.822 ( -5.638 0.000 0.200) 5.642 2.833 ( 1.514 0.000 0.051) 1.515 2.921 ( 0.724 0.000 -3.662) 3.733 3.117 ( -9.024 0.000 -0.459) 9.036 3.258 ( -1.951 0.000 -2.274) 2.996 3.436 ( 1.628 0.000 13.870) 13.965 3.529 ( -3.556 0.000 16.224) 16.610 3.590 ( 0.950 0.000 2.876) 3.029 3.773 ( -5.289 0.000 -1.588) 5.522 3.835 ( -4.428 0.000 3.364) 5.561 3.921 ( 9.606 0.000 3.686) 10.289 4.039 ( -7.520 0.000 -1.580) 7.684 4.197 ( -8.276 0.000 4.581) 9.460 4.322 ( -5.007 0.000 7.119) 8.704 4.462 ( 0.180 0.000 -0.493) 0.525 4.744 ( 4.538 0.000 -1.590) 4.808 4.823 ( -1.657 0.000 -10.079) 10.214 4.986 ( 4.204 0.000 -12.804) 13.477 5.015 ( 3.129 0.000 9.130) 9.652 5.023 ( 4.668 0.000 -2.119) 5.127 5.235 ( -3.664 0.000 -7.429) 8.283 5.388 ( -3.918 0.000 0.588) 3.961 5.453 ( -2.429 0.000 1.949) 3.114 6.035 ( 8.501 0.000 6.327) 10.597 6.090 ( 1.752 0.000 -3.126) 3.584 6.229 ( 7.572 0.000 4.095) 8.608 6.391 ( 1.149 0.000 -3.899) 4.065 6.589 ( 3.302 0.000 0.693) 3.374 6.620 ( -0.501 0.000 -4.250) 4.279 6.827 ( -2.786 0.000 -2.540) 3.770 6.836 ( -3.002 0.000 4.107) 5.087 7.014 ( -4.535 0.000 -2.032) 4.970 7.081 ( 3.315 0.000 -0.376) 3.337 7.433 ( -2.105 0.000 -2.728) 3.445 7.565 ( -7.160 0.000 -2.617) 7.623 8.121 ( 3.031 0.000 3.468) 4.606 8.203 ( 8.496 0.000 -7.238) 11.161 8.292 ( -0.263 0.000 0.229) 0.349 8.395 ( 4.167 0.000 2.242) 4.732 8.628 ( -4.500 0.000 0.935) 4.596 8.818 ( -2.201 0.000 -1.130) 2.474 9.067 ( -2.917 0.000 1.571) 3.313 9.084 ( -9.972 0.000 1.646) 10.107 9.674 ( 7.627 0.000 0.752) 7.664 9.986 ( 6.380 0.000 2.084) 6.712 10.202 ( -14.162 0.000 7.195) 15.885 10.295 ( 3.525 0.000 -7.829) 8.586 10.449 ( 2.117 0.000 -0.871) 2.289 10.591 ( -1.711 0.000 0.750) 1.868 10.696 ( -2.785 0.000 4.872) 5.612 10.816 ( -3.152 0.000 -2.066) 3.769 10.924 ( 2.814 0.000 -2.022) 3.465 11.160 ( 4.125 0.000 -9.790) 10.624 11.693 ( 1.057 0.000 0.069) 1.059 11.718 ( 2.521 0.000 -2.015) 3.227 11.763 ( -7.837 0.000 -12.854) 15.055 11.903 ( 3.945 0.000 2.688) 4.774 12.067 ( -8.797 0.000 -0.344) 8.804 12.554 ( 7.463 0.000 -1.745) 7.664 12.620 ( -1.266 0.000 5.997) 6.129 13.082 ( 6.451 0.000 -3.780) 7.477 13.273 ( -0.367 0.000 3.829) 3.846 13.313 ( -2.470 0.000 -3.423) 4.221 13.591 ( 3.076 0.000 5.184) 6.028 13.657 ( 4.374 0.000 -2.164) 4.880 14.345 ( 1.648 0.000 2.547) 3.034 14.520 ( 4.922 0.000 -6.365) 8.046 14.708 ( -3.013 0.000 1.752) 3.485 14.755 ( -2.040 0.000 -3.549) 4.094 15.927 ( -0.285 0.000 1.945) 1.966 16.057 ( -0.214 0.000 -4.208) 4.214 16.199 ( -0.465 0.000 11.923) 11.932 16.592 ( 2.059 0.000 -9.023) 9.255 19.750 ( -0.412 0.000 4.452) 4.471 19.802 ( -2.078 0.000 -1.386) 2.498 20.126 ( -0.911 0.000 10.708) 10.747 20.421 ( 2.688 0.000 0.251) 2.700 21.682 ( -2.784 0.000 10.543) 10.905 21.818 ( -2.386 0.000 7.187) 7.573 21.991 ( -2.221 0.000 9.500) 9.756 22.211 ( -3.593 0.000 -2.653) 4.466 22.446 ( 0.265 0.000 2.375) 2.390 22.718 ( 6.613 0.000 -7.040) 9.659 23.185 ( -1.378 0.000 3.476) 3.739 23.287 ( 0.785 0.000 -0.326) 0.850 23.822 ( -0.385 0.000 2.702) 2.730 24.109 ( 1.031 0.000 -11.047) 11.095 24.179 ( -1.245 0.000 0.631) 1.396 24.409 ( 0.078 0.000 -9.063) 9.064 ======================= Grid point 107 (55/84) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 6.067 0.000 7.735) 9.831 2.071 ( 12.382 0.000 -3.421) 12.846 2.112 ( 2.215 0.000 13.863) 14.039 2.212 ( -8.011 0.000 12.622) 14.950 2.240 ( 1.862 0.000 1.215) 2.223 2.275 ( -5.260 0.000 -3.464) 6.298 2.499 ( -14.885 0.000 2.527) 15.097 2.611 ( 0.007 0.000 2.993) 2.993 2.812 ( -5.302 0.000 5.405) 7.571 2.954 ( -0.187 0.000 -6.150) 6.153 2.961 ( -1.894 0.000 -3.393) 3.885 3.166 ( -2.570 0.000 -10.099) 10.421 3.483 ( -6.187 0.000 18.158) 19.183 3.565 ( -3.977 0.000 4.405) 5.935 3.639 ( 5.761 0.000 13.688) 14.851 3.710 ( 5.498 0.000 4.889) 7.358 3.747 ( -2.428 0.000 0.507) 2.481 3.896 ( -5.798 0.000 5.620) 8.074 4.127 ( 1.245 0.000 1.557) 1.993 4.153 ( 4.887 0.000 5.234) 7.161 4.227 ( 1.220 0.000 0.114) 1.226 4.427 ( -4.900 0.000 -3.798) 6.200 4.768 ( 0.184 0.000 -4.336) 4.340 4.836 ( 4.436 0.000 -1.230) 4.603 4.970 ( -3.085 0.000 -5.345) 6.171 5.003 ( -4.212 0.000 -1.764) 4.567 5.118 ( 4.941 0.000 0.655) 4.984 5.132 ( -3.656 0.000 -4.272) 5.623 5.427 ( 5.322 0.000 1.918) 5.657 5.469 ( 1.952 0.000 3.801) 4.273 6.040 ( -4.690 0.000 -2.859) 5.493 6.182 ( 0.041 0.000 3.397) 3.397 6.384 ( 2.489 0.000 -2.048) 3.224 6.453 ( 10.312 0.000 1.079) 10.368 6.632 ( 2.437 0.000 -2.777) 3.695 6.667 ( -0.256 0.000 -0.313) 0.405 6.751 ( -5.524 0.000 1.612) 5.754 6.775 ( -1.441 0.000 -2.733) 3.090 6.928 ( 1.200 0.000 -0.551) 1.321 7.078 ( -3.277 0.000 -1.602) 3.648 7.412 ( 1.650 0.000 -5.984) 6.207 7.412 ( -5.161 0.000 -1.851) 5.483 8.167 ( -0.813 0.000 6.080) 6.134 8.337 ( 4.273 0.000 -0.310) 4.284 8.369 ( 6.896 0.000 -6.042) 9.168 8.505 ( 4.119 0.000 5.962) 7.246 8.555 ( -2.245 0.000 -2.172) 3.124 8.743 ( -3.340 0.000 -0.561) 3.387 8.960 ( -0.741 0.000 -0.413) 0.848 9.004 ( -3.047 0.000 -0.710) 3.128 9.854 ( 8.462 0.000 0.967) 8.517 9.954 ( -7.886 0.000 3.055) 8.457 9.992 ( -7.903 0.000 11.381) 13.856 10.430 ( 9.669 0.000 -12.470) 15.780 10.508 ( 3.817 0.000 3.921) 5.472 10.527 ( -4.679 0.000 3.835) 6.050 10.683 ( 0.292 0.000 3.734) 3.745 10.812 ( 3.524 0.000 -2.657) 4.414 10.999 ( 4.083 0.000 -4.560) 6.121 11.212 ( 2.141 0.000 -9.129) 9.377 11.500 ( -10.293 0.000 -4.809) 11.361 11.540 ( -13.781 0.000 -5.887) 14.986 11.742 ( -3.512 0.000 -1.373) 3.771 11.835 ( 6.298 0.000 -9.396) 11.311 12.198 ( 7.078 0.000 7.626) 10.405 12.569 ( -4.532 0.000 -3.841) 5.941 12.730 ( 7.212 0.000 9.632) 12.033 13.177 ( 5.162 0.000 -2.793) 5.869 13.234 ( -3.968 0.000 2.914) 4.923 13.270 ( -1.440 0.000 -5.341) 5.532 13.670 ( 1.841 0.000 4.902) 5.236 13.778 ( 5.671 0.000 -2.452) 6.179 14.387 ( 0.938 0.000 4.339) 4.439 14.580 ( 2.064 0.000 -6.198) 6.532 14.620 ( -4.707 0.000 0.409) 4.725 14.700 ( -1.145 0.000 -5.612) 5.728 15.885 ( -3.669 0.000 2.989) 4.732 16.047 ( 0.573 0.000 -4.108) 4.148 16.225 ( -0.930 0.000 11.898) 11.935 16.614 ( 2.194 0.000 -8.707) 8.979 19.730 ( -2.399 0.000 4.197) 4.834 19.788 ( 1.005 0.000 -0.467) 1.109 20.150 ( -0.450 0.000 11.449) 11.458 20.530 ( 7.119 0.000 -3.455) 7.913 21.618 ( -6.091 0.000 11.963) 13.424 21.802 ( -0.772 0.000 6.235) 6.283 21.976 ( -1.755 0.000 9.606) 9.765 22.132 ( -2.926 0.000 0.171) 2.931 22.461 ( 0.106 0.000 3.485) 3.487 22.788 ( 1.899 0.000 -9.151) 9.346 23.170 ( -0.856 0.000 4.031) 4.121 23.297 ( 0.208 0.000 -0.947) 0.970 23.809 ( -1.367 0.000 2.489) 2.839 24.102 ( 1.622 0.000 -10.884) 11.004 24.173 ( 0.552 0.000 0.652) 0.854 24.369 ( -0.842 0.000 -8.219) 8.262 ======================= Grid point 108 (56/84) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -18.520 0.000 11.264) 21.676 1.785 ( -17.925 0.000 11.717) 21.415 2.100 ( -5.453 0.000 -1.062) 5.556 2.139 ( -5.849 0.000 6.026) 8.398 2.382 ( 6.743 0.000 9.437) 11.599 2.392 ( 5.372 0.000 -4.409) 6.950 2.504 ( 14.641 0.000 6.499) 16.018 2.700 ( 3.650 0.000 9.302) 9.992 2.801 ( 6.655 0.000 3.289) 7.423 2.880 ( -2.644 0.000 -12.499) 12.775 2.981 ( 3.848 0.000 -2.177) 4.421 3.151 ( 4.845 0.000 -11.333) 12.326 3.418 ( -4.496 0.000 21.143) 21.615 3.487 ( -3.567 0.000 3.694) 5.135 3.652 ( -4.059 0.000 17.108) 17.583 3.731 ( 0.557 0.000 1.563) 1.659 3.831 ( 1.179 0.000 -6.829) 6.930 4.019 ( 11.028 0.000 14.591) 18.290 4.162 ( -1.203 0.000 5.574) 5.702 4.195 ( -9.777 0.000 -4.960) 10.963 4.239 ( 7.924 0.000 0.716) 7.957 4.399 ( 5.736 0.000 -10.148) 11.657 4.763 ( -0.771 0.000 1.110) 1.352 4.859 ( -5.707 0.000 -2.210) 6.120 4.894 ( -1.478 0.000 -2.390) 2.810 4.931 ( 0.734 0.000 -5.624) 5.672 5.082 ( 1.032 0.000 1.650) 1.946 5.229 ( 5.205 0.000 -5.134) 7.311 5.493 ( -1.959 0.000 3.392) 3.917 5.545 ( 4.051 0.000 1.363) 4.275 5.940 ( -2.563 0.000 4.077) 4.816 6.082 ( -5.634 0.000 -2.313) 6.091 6.514 ( -10.478 0.000 -2.420) 10.754 6.524 ( 4.973 0.000 5.072) 7.103 6.586 ( -3.913 0.000 -4.586) 6.028 6.604 ( 2.642 0.000 -2.144) 3.403 6.707 ( 1.743 0.000 0.129) 1.748 6.812 ( 6.042 0.000 -0.365) 6.053 6.951 ( -6.912 0.000 -1.157) 7.009 7.031 ( 3.132 0.000 0.244) 3.141 7.369 ( 3.156 0.000 -3.213) 4.504 7.461 ( 3.898 0.000 -5.119) 6.434 8.111 ( -5.356 0.000 5.436) 7.631 8.381 ( -2.090 0.000 -4.567) 5.023 8.463 ( -3.754 0.000 -3.622) 5.216 8.486 ( 6.581 0.000 -0.030) 6.581 8.649 ( 5.700 0.000 4.254) 7.112 8.685 ( -2.674 0.000 -3.727) 4.587 8.975 ( 2.544 0.000 -0.821) 2.673 9.020 ( 5.268 0.000 -1.141) 5.390 9.750 ( -10.406 0.000 3.454) 10.964 9.890 ( -6.230 0.000 12.471) 13.941 10.039 ( 8.521 0.000 -2.245) 8.812 10.432 ( -4.520 0.000 3.071) 5.465 10.589 ( 8.394 0.000 -16.078) 18.138 10.687 ( 9.636 0.000 3.813) 10.363 10.727 ( 3.456 0.000 5.519) 6.512 10.915 ( 5.366 0.000 -0.517) 5.391 11.019 ( -1.556 0.000 -6.315) 6.504 11.133 ( -4.829 0.000 -13.696) 14.522 11.302 ( -6.200 0.000 1.935) 6.495 11.341 ( -1.294 0.000 2.885) 3.162 11.713 ( 0.323 0.000 -0.864) 0.923 11.914 ( 3.074 0.000 -9.766) 10.239 12.374 ( 7.120 0.000 6.907) 9.920 12.432 ( -4.856 0.000 -4.872) 6.879 12.882 ( 1.691 0.000 10.527) 10.662 13.086 ( -10.536 0.000 -9.529) 14.206 13.143 ( -3.747 0.000 2.223) 4.357 13.340 ( 5.887 0.000 -1.886) 6.182 13.669 ( -3.148 0.000 3.450) 4.670 13.845 ( 0.901 0.000 -4.073) 4.172 14.414 ( -0.154 0.000 3.851) 3.855 14.517 ( -4.189 0.000 -0.668) 4.242 14.595 ( 1.236 0.000 -2.971) 3.218 14.683 ( 1.319 0.000 -3.967) 4.181 15.820 ( -2.969 0.000 6.641) 7.274 16.057 ( 1.423 0.000 -4.013) 4.258 16.225 ( -2.411 0.000 11.470) 11.721 16.623 ( 1.112 0.000 -8.753) 8.824 19.693 ( -1.776 0.000 3.981) 4.359 19.830 ( 2.597 0.000 -0.487) 2.642 20.165 ( -1.557 0.000 10.602) 10.716 20.659 ( 5.185 0.000 -12.715) 13.732 21.530 ( -4.585 0.000 17.172) 17.774 21.823 ( 0.528 0.000 6.343) 6.365 21.978 ( -1.022 0.000 10.715) 10.764 22.094 ( -0.582 0.000 1.812) 1.903 22.466 ( -0.753 0.000 3.970) 4.041 22.749 ( -2.528 0.000 -8.320) 8.696 23.176 ( -0.056 0.000 5.074) 5.074 23.289 ( -0.430 0.000 -2.094) 2.138 23.791 ( -0.916 0.000 3.253) 3.380 24.112 ( 2.306 0.000 -10.934) 11.174 24.199 ( 1.286 0.000 0.767) 1.497 24.337 ( 0.652 0.000 -7.881) 7.907 ======================= Grid point 109 (57/84) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -15.400 0.000 17.621) 23.402 1.544 ( -7.086 0.000 17.091) 18.502 1.944 ( -7.386 0.000 -0.791) 7.428 2.108 ( -1.259 0.000 13.801) 13.858 2.467 ( 1.352 0.000 -4.559) 4.755 2.558 ( 6.579 0.000 6.962) 9.578 2.719 ( 4.285 0.000 5.231) 6.762 2.780 ( 0.495 0.000 -0.226) 0.544 2.846 ( 5.482 0.000 -8.431) 10.057 2.931 ( 1.049 0.000 -0.679) 1.250 3.196 ( 12.998 0.000 -0.939) 13.032 3.234 ( 2.614 0.000 -2.518) 3.630 3.444 ( 0.719 0.000 18.650) 18.664 3.452 ( -0.151 0.000 1.990) 1.996 3.611 ( -4.698 0.000 18.483) 19.070 3.760 ( -2.122 0.000 2.050) 2.950 3.836 ( 0.704 0.000 -5.909) 5.951 3.973 ( -2.413 0.000 -3.307) 4.094 4.156 ( -1.804 0.000 0.585) 1.896 4.262 ( 6.888 0.000 10.197) 12.306 4.420 ( 7.245 0.000 0.623) 7.271 4.431 ( 0.457 0.000 0.414) 0.617 4.653 ( -10.146 0.000 -8.691) 13.359 4.803 ( 5.018 0.000 -4.143) 6.507 4.868 ( -1.592 0.000 -0.104) 1.595 4.892 ( -1.855 0.000 -5.251) 5.570 5.195 ( 6.880 0.000 3.003) 7.507 5.238 ( -4.588 0.000 -9.594) 10.635 5.457 ( 1.414 0.000 1.783) 2.276 5.580 ( -1.036 0.000 -3.060) 3.231 5.976 ( -4.359 0.000 0.762) 4.425 5.979 ( 2.274 0.000 10.751) 10.989 6.268 ( -10.219 0.000 -2.226) 10.459 6.408 ( -4.984 0.000 -5.502) 7.424 6.602 ( -0.999 0.000 -3.028) 3.189 6.673 ( 0.884 0.000 -0.331) 0.944 6.774 ( 5.498 0.000 0.090) 5.499 6.852 ( -0.683 0.000 5.448) 5.490 6.950 ( 3.966 0.000 -1.835) 4.370 7.022 ( -1.237 0.000 1.026) 1.607 7.509 ( 8.958 0.000 -5.000) 10.259 7.517 ( 1.375 0.000 -0.926) 1.657 8.019 ( -2.857 0.000 1.918) 3.441 8.265 ( -6.435 0.000 -2.985) 7.093 8.377 ( -2.676 0.000 -3.629) 4.509 8.507 ( -6.238 0.000 -4.873) 7.916 8.689 ( 6.374 0.000 -1.882) 6.646 8.747 ( 1.628 0.000 2.484) 2.970 9.100 ( 5.806 0.000 1.662) 6.039 9.154 ( 7.134 0.000 -2.127) 7.444 9.597 ( -1.997 0.000 1.913) 2.766 9.753 ( -9.720 0.000 9.510) 13.598 10.218 ( 8.618 0.000 -2.716) 9.036 10.352 ( -3.411 0.000 1.954) 3.931 10.661 ( 1.968 0.000 -14.121) 14.257 10.698 ( -4.823 0.000 -2.869) 5.612 10.860 ( 1.691 0.000 -6.835) 7.041 10.971 ( 0.116 0.000 -4.638) 4.640 10.982 ( -1.729 0.000 2.701) 3.207 11.089 ( 3.989 0.000 -14.411) 14.953 11.250 ( 1.861 0.000 11.757) 11.904 11.564 ( 17.068 0.000 10.965) 20.287 11.732 ( 1.463 0.000 -1.105) 1.833 11.903 ( 0.600 0.000 -6.115) 6.144 12.336 ( -4.616 0.000 -8.532) 9.701 12.495 ( 0.119 0.000 3.528) 3.530 12.785 ( -9.330 0.000 -5.202) 10.682 12.836 ( -6.293 0.000 8.533) 10.603 13.148 ( 2.433 0.000 4.271) 4.916 13.421 ( 1.950 0.000 -3.540) 4.041 13.583 ( -4.560 0.000 2.437) 5.170 13.790 ( -4.099 0.000 -5.439) 6.811 14.380 ( -3.123 0.000 1.130) 3.321 14.431 ( -2.689 0.000 -0.387) 2.717 14.653 ( 3.928 0.000 0.480) 3.957 14.735 ( 3.327 0.000 -0.548) 3.372 15.817 ( 0.656 0.000 8.187) 8.213 16.074 ( 1.112 0.000 -4.018) 4.169 16.200 ( -2.889 0.000 11.273) 11.638 16.608 ( 0.270 0.000 -9.100) 9.104 19.688 ( 0.284 0.000 4.018) 4.028 19.877 ( 1.471 0.000 -1.457) 2.070 20.152 ( -2.391 0.000 9.487) 9.784 20.606 ( -5.616 0.000 -13.705) 14.811 21.577 ( 2.982 0.000 16.156) 16.429 21.849 ( -0.397 0.000 7.222) 7.233 21.995 ( -0.795 0.000 11.297) 11.325 22.143 ( 5.075 0.000 0.872) 5.150 22.455 ( -1.216 0.000 3.243) 3.463 22.646 ( -4.267 0.000 -5.233) 6.752 23.192 ( -0.126 0.000 5.394) 5.396 23.274 ( -0.194 0.000 -2.128) 2.136 23.793 ( 0.039 0.000 3.794) 3.794 24.125 ( 1.860 0.000 -11.140) 11.294 24.220 ( 0.206 0.000 0.887) 0.911 24.357 ( 3.369 0.000 -8.342) 8.997 ======================= Grid point 110 (58/84) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 4.228 9.783 16.843) 19.931 1.639 ( 1.648 5.815 19.420) 20.339 1.878 ( -1.712 5.476 -4.991) 7.604 2.345 ( -2.157 11.228 -3.920) 12.086 2.553 ( -0.580 10.853 6.808) 12.825 2.678 ( 4.299 -3.326 -0.460) 5.455 2.763 ( -2.459 9.773 4.918) 11.213 2.799 ( -1.590 0.565 4.653) 4.949 2.881 ( 3.395 0.754 0.556) 3.522 3.096 ( -1.516 9.579 -5.710) 11.254 3.179 ( -3.350 -3.619 1.704) 5.217 3.330 ( 1.857 -0.081 -4.115) 4.515 3.446 ( -5.323 0.788 10.221) 11.551 3.527 ( 4.770 0.335 2.172) 5.252 3.571 ( -4.140 1.990 10.032) 11.033 3.697 ( -2.822 -7.823 3.370) 8.973 3.831 ( -0.752 7.357 7.144) 10.282 4.018 ( -4.357 2.339 -0.485) 4.969 4.211 ( 2.910 -0.798 0.711) 3.100 4.293 ( -6.194 -1.690 -3.516) 7.320 4.390 ( 6.012 5.720 5.727) 10.083 4.516 ( -1.723 4.643 5.449) 7.363 4.664 ( 3.070 2.766 0.595) 4.174 4.874 ( -1.452 2.292 -7.483) 7.959 4.926 ( 0.105 4.861 5.024) 6.991 4.975 ( 8.501 4.716 -4.698) 10.797 5.073 ( -4.763 2.015 -6.786) 8.532 5.274 ( -0.430 -2.464 -7.329) 7.744 5.437 ( 0.320 -3.435 2.434) 4.222 5.529 ( -1.959 0.262 -0.520) 2.043 5.861 ( -0.246 -4.065 3.916) 5.650 6.008 ( -0.174 -3.241 -2.624) 4.174 6.141 ( 1.328 1.297 5.437) 5.745 6.333 ( -0.059 -2.531 -3.095) 3.999 6.564 ( -1.124 -3.643 -1.569) 4.122 6.608 ( -0.810 -1.597 -3.829) 4.227 6.804 ( 1.162 -1.645 4.076) 4.546 6.867 ( -2.275 -2.652 -0.820) 3.589 6.990 ( 2.648 1.033 3.041) 4.162 7.115 ( 1.880 1.873 -2.376) 3.562 7.546 ( -2.258 4.908 1.228) 5.541 7.691 ( 1.867 3.805 -4.130) 5.918 8.042 ( 2.960 1.407 -0.303) 3.292 8.146 ( -1.674 0.870 -4.577) 4.950 8.283 ( -0.411 -2.959 0.362) 3.010 8.391 ( -3.684 0.946 -4.961) 6.251 8.698 ( -3.647 -2.662 2.827) 5.327 8.807 ( 2.989 -0.768 -2.730) 4.120 9.158 ( -2.282 2.764 3.664) 5.126 9.250 ( -0.604 -0.470 -0.289) 0.818 9.535 ( -2.340 -4.282 4.676) 6.758 9.713 ( 10.298 -2.356 -2.314) 10.815 10.206 ( -3.965 -5.993 2.732) 7.687 10.363 ( 6.117 -1.380 -4.090) 7.487 10.536 ( -7.226 0.713 -4.673) 8.635 10.604 ( -1.282 -1.633 -5.482) 5.862 10.784 ( -8.308 -1.273 2.931) 8.901 10.848 ( -5.191 -3.659 0.121) 6.352 10.936 ( 3.289 0.176 -2.223) 3.974 11.081 ( 3.123 -3.245 -12.098) 12.909 11.478 ( 14.923 -0.651 8.200) 17.040 11.711 ( -0.208 0.025 0.121) 0.242 11.742 ( 2.180 -0.216 3.668) 4.273 12.025 ( -10.226 0.603 -10.277) 14.510 12.286 ( 11.738 0.265 -1.603) 11.850 12.344 ( -10.828 -1.293 -2.346) 11.154 12.709 ( -2.698 -1.084 4.619) 5.458 12.761 ( 7.373 -4.513 2.456) 8.987 13.270 ( 1.286 0.566 0.816) 1.625 13.361 ( -0.379 -4.062 -2.401) 4.733 13.512 ( -0.849 -0.897 1.818) 2.198 13.630 ( -3.671 -2.962 -3.826) 6.073 14.334 ( 3.003 3.096 4.695) 6.375 14.574 ( -1.072 8.505 -7.029) 11.086 14.717 ( -1.022 3.601 6.133) 7.185 14.920 ( 3.581 9.042 -5.691) 11.267 15.872 ( 1.838 -0.856 5.820) 6.163 16.051 ( -1.421 -1.976 0.050) 2.435 16.199 ( -0.740 1.277 6.373) 6.542 16.571 ( 1.502 -1.885 -9.434) 9.737 19.731 ( 0.978 0.844 4.964) 5.129 19.882 ( -1.850 1.598 -2.303) 3.359 20.125 ( -1.792 -0.473 8.796) 8.989 20.426 ( -2.926 -1.566 -3.500) 4.823 21.560 ( -0.047 -7.996 10.856) 13.483 21.785 ( 1.179 -13.055 2.388) 13.323 21.968 ( -1.271 -7.770 12.965) 15.168 22.003 ( -1.878 -0.568 11.349) 11.518 22.513 ( -1.140 -3.723 -0.896) 3.995 22.620 ( 2.480 4.078 -4.930) 6.862 23.325 ( -0.736 6.721 -0.647) 6.792 23.341 ( 0.168 7.454 0.014) 7.456 23.840 ( 0.112 2.497 2.118) 3.276 24.108 ( 1.395 -1.245 -8.917) 9.111 24.302 ( 0.524 7.899 -2.279) 8.238 24.459 ( 1.930 4.713 -9.514) 10.791 ======================= Grid point 111 (59/84) ======================= q-point: ( 0.20 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 11.156 5.761 11.834) 17.253 1.828 ( 8.310 1.085 20.629) 22.266 1.893 ( 5.175 4.589 -6.633) 9.583 2.292 ( -0.131 7.019 -8.439) 10.977 2.488 ( -10.641 6.307 6.606) 14.023 2.554 ( -10.620 3.361 7.749) 13.569 2.738 ( -0.257 -2.097 -2.964) 3.640 2.848 ( -2.596 9.414 6.440) 11.698 2.876 ( -1.635 10.546 -2.517) 10.965 2.986 ( -4.931 -0.618 -1.322) 5.143 3.068 ( -4.423 2.575 -3.134) 6.001 3.310 ( -3.201 0.709 -4.039) 5.202 3.446 ( 1.876 3.095 14.655) 15.095 3.519 ( 0.077 1.402 10.611) 10.703 3.633 ( -1.517 -5.211 0.100) 5.429 3.699 ( 2.889 3.155 8.832) 9.813 3.846 ( 1.596 -4.235 2.281) 5.069 3.967 ( -1.121 5.502 5.789) 8.065 4.063 ( -8.625 3.689 -3.554) 10.031 4.220 ( -2.848 2.240 1.406) 3.886 4.368 ( -11.479 3.503 7.105) 13.947 4.571 ( 4.679 8.632 1.285) 9.902 4.744 ( 3.867 0.015 0.268) 3.877 4.796 ( -3.211 -0.106 -4.341) 5.401 4.921 ( 0.724 -2.213 -12.190) 12.410 5.040 ( 4.376 3.003 7.353) 9.068 5.153 ( 2.093 6.818 -2.552) 7.575 5.216 ( -1.376 -1.250 -8.864) 9.057 5.395 ( -2.625 1.922 2.220) 3.939 5.475 ( -1.645 0.774 0.071) 1.819 5.981 ( 8.614 -5.599 5.006) 11.429 6.053 ( 2.938 -3.574 -1.812) 4.968 6.214 ( 2.768 -0.841 2.222) 3.648 6.371 ( 5.030 -2.027 -2.825) 6.115 6.555 ( -0.105 -3.574 -1.205) 3.773 6.579 ( 0.332 -2.276 -1.184) 2.587 6.760 ( -3.737 -3.385 0.983) 5.137 6.866 ( 0.083 0.486 1.991) 2.051 6.981 ( -3.364 -2.284 -1.587) 4.365 7.156 ( 1.408 3.427 -2.079) 4.249 7.484 ( -2.713 5.048 -1.574) 5.943 7.608 ( -6.377 3.716 -2.422) 7.768 8.115 ( 2.686 -0.155 2.126) 3.429 8.216 ( 7.975 1.239 -6.114) 10.125 8.281 ( -0.011 -1.040 1.691) 1.985 8.387 ( 3.645 -0.969 0.255) 3.780 8.607 ( -4.148 -2.197 1.520) 4.934 8.808 ( -2.095 -1.184 -1.616) 2.899 9.068 ( -7.293 1.065 1.889) 7.608 9.146 ( -4.067 4.560 0.995) 6.190 9.624 ( 6.666 -4.320 1.536) 8.091 9.929 ( 6.386 -5.662 -0.530) 8.551 10.104 ( -4.416 -4.906 2.980) 7.242 10.362 ( -5.617 2.540 -3.118) 6.908 10.454 ( 2.516 0.938 -2.748) 3.842 10.571 ( -1.530 -1.942 0.229) 2.483 10.674 ( -1.779 -1.833 4.450) 5.131 10.780 ( -1.577 -2.838 -2.649) 4.190 10.968 ( 1.391 2.895 -2.372) 3.993 11.133 ( 4.225 -1.843 -7.620) 8.906 11.668 ( 1.462 -2.331 -2.485) 3.707 11.688 ( -2.949 -4.167 -7.473) 9.050 11.761 ( -6.202 1.045 -2.921) 6.935 11.913 ( 4.330 1.358 4.131) 6.137 12.073 ( -7.840 -0.604 -0.604) 7.886 12.495 ( 7.294 -1.771 1.459) 7.646 12.676 ( -0.792 1.975 1.169) 2.428 12.911 ( 3.874 -10.175 -0.246) 10.890 13.241 ( -2.633 -1.935 0.054) 3.268 13.379 ( 1.970 0.094 -2.097) 2.878 13.572 ( 4.329 -1.215 3.548) 5.727 13.614 ( 2.969 -3.101 -1.563) 4.569 14.437 ( 4.559 7.163 3.149) 9.055 14.561 ( 0.621 1.778 -4.444) 4.827 14.679 ( -2.627 5.538 0.954) 6.204 14.946 ( 0.503 11.062 -6.399) 12.790 15.891 ( -1.725 -2.824 3.680) 4.949 16.027 ( -0.489 -2.643 -0.634) 2.762 16.211 ( -0.246 1.157 7.757) 7.847 16.593 ( 2.934 -0.475 -9.762) 10.205 19.759 ( -0.151 0.822 4.924) 4.994 19.829 ( -1.875 2.328 -1.022) 3.159 20.116 ( -1.417 -0.799 9.272) 9.414 20.413 ( 2.027 -1.014 -0.894) 2.436 21.559 ( -2.492 -8.438 9.789) 13.162 21.799 ( -0.837 -8.211 1.456) 8.381 21.969 ( -2.433 -7.275 13.022) 15.114 22.010 ( -0.638 -2.852 10.033) 10.450 22.491 ( -0.286 -0.822 -0.806) 1.186 22.651 ( 1.470 -2.662 -5.755) 6.509 23.304 ( -0.839 8.250 0.112) 8.293 23.360 ( 1.244 5.474 0.413) 5.629 23.844 ( -0.441 1.954 2.012) 2.839 24.099 ( 0.501 -0.716 -8.987) 9.029 24.297 ( 0.017 9.245 -3.158) 9.769 24.449 ( -0.013 3.902 -9.163) 9.959 ======================= Grid point 112 (60/84) ======================= q-point: ( 0.40 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 6.918 5.448 6.929) 11.205 2.020 ( -4.036 -4.160 8.026) 9.900 2.065 ( 6.990 -0.881 -1.129) 7.135 2.176 ( -4.233 -1.646 12.221) 13.037 2.280 ( -1.439 6.494 -4.433) 7.994 2.459 ( -1.382 12.198 11.643) 16.920 2.676 ( -6.954 10.159 -0.952) 12.348 2.717 ( -1.351 8.487 1.232) 8.682 2.830 ( -6.510 1.490 0.804) 6.727 2.906 ( 1.636 -1.202 -2.211) 3.002 3.011 ( -1.110 4.590 -6.170) 7.770 3.217 ( -2.885 3.843 -7.974) 9.310 3.443 ( -4.763 -1.864 13.582) 14.513 3.614 ( 0.656 -3.536 6.170) 7.142 3.653 ( 1.404 2.955 1.917) 3.792 3.757 ( 0.914 7.251 12.403) 14.396 3.859 ( -1.841 7.614 0.119) 7.835 3.925 ( 0.766 -2.933 5.145) 5.972 3.989 ( -3.891 0.117 6.202) 7.323 4.170 ( 3.453 2.385 7.281) 8.404 4.259 ( 0.345 1.885 -1.484) 2.423 4.556 ( -5.142 4.826 -6.566) 9.635 4.761 ( 0.592 2.822 1.784) 3.391 4.837 ( 4.399 -0.354 -0.113) 4.415 4.908 ( 0.088 -2.491 -8.505) 8.862 5.047 ( -5.501 2.590 -0.535) 6.103 5.144 ( 0.405 3.703 2.529) 4.502 5.192 ( 1.463 3.282 -2.685) 4.486 5.415 ( 2.108 0.948 0.453) 2.355 5.478 ( 1.302 -0.690 1.561) 2.147 6.039 ( -3.102 -0.889 -2.746) 4.237 6.105 ( -1.139 -7.148 1.059) 7.316 6.303 ( 6.055 -3.978 2.625) 7.705 6.515 ( 7.291 -1.256 -1.764) 7.606 6.562 ( 1.439 0.205 -0.958) 1.741 6.625 ( 0.804 -5.405 0.785) 5.521 6.694 ( -1.322 -2.397 1.190) 2.985 6.827 ( -3.776 1.992 -3.181) 5.324 6.927 ( 0.873 -0.747 1.775) 2.114 7.118 ( -3.862 2.535 -3.043) 5.532 7.441 ( -0.543 4.247 -2.842) 5.139 7.487 ( -2.539 5.288 -3.906) 7.047 8.164 ( 0.214 -0.032 5.144) 5.149 8.317 ( 3.258 -2.243 2.137) 4.496 8.363 ( 5.254 -0.063 -6.290) 8.196 8.490 ( 4.231 -1.844 4.694) 6.583 8.539 ( -2.281 -2.084 -1.857) 3.605 8.746 ( -2.049 0.220 -1.677) 2.657 8.967 ( -0.779 1.606 0.350) 1.819 9.073 ( -3.028 5.493 -1.214) 6.389 9.781 ( 6.504 -6.735 3.390) 9.957 9.895 ( -5.693 -3.536 2.810) 7.267 10.050 ( -6.027 2.946 5.950) 8.967 10.331 ( 4.842 -6.584 -7.010) 10.767 10.490 ( -0.995 -1.420 -0.267) 1.754 10.529 ( 0.969 -0.479 1.360) 1.737 10.699 ( 1.811 0.681 3.859) 4.317 10.786 ( 3.522 -2.459 -3.546) 5.570 11.014 ( 3.094 1.392 -4.364) 5.528 11.179 ( 0.567 -2.886 -8.002) 8.526 11.459 ( -9.547 -3.579 -6.812) 12.262 11.545 ( -10.707 0.613 -4.539) 11.646 11.726 ( -2.134 -1.080 -0.243) 2.404 11.864 ( 3.517 2.213 -6.841) 8.004 12.189 ( 7.007 -1.285 7.773) 10.544 12.587 ( -6.136 0.538 -3.571) 7.120 12.685 ( 7.417 -3.189 7.564) 11.063 12.966 ( 0.658 -11.399 -0.261) 11.421 13.227 ( 2.129 -0.091 0.252) 2.146 13.385 ( -1.157 2.256 -3.723) 4.505 13.651 ( 1.870 -1.364 3.250) 3.991 13.716 ( 4.928 -3.939 -1.008) 6.389 14.459 ( -4.698 2.575 3.993) 6.681 14.592 ( 3.563 4.375 2.446) 6.149 14.659 ( 1.741 8.308 -7.999) 11.663 14.905 ( -2.151 12.155 -7.419) 14.402 15.836 ( -3.860 -3.706 4.970) 7.302 16.026 ( 0.887 -1.946 -2.641) 3.399 16.231 ( -0.715 0.754 9.582) 9.638 16.620 ( 2.061 0.036 -9.527) 9.748 19.745 ( -2.380 1.352 4.738) 5.472 19.816 ( 0.969 2.413 -0.063) 2.601 20.127 ( -0.434 -1.771 9.673) 9.844 20.483 ( 4.564 -4.209 -3.881) 7.322 21.526 ( -3.601 -6.768 11.598) 13.902 21.768 ( -1.948 -6.196 2.085) 6.821 21.959 ( -2.126 -5.981 13.299) 14.736 22.016 ( -1.700 -1.829 9.056) 9.394 22.501 ( 1.301 1.318 -0.863) 2.043 22.642 ( -0.399 -8.572 -6.391) 10.699 23.300 ( 0.360 9.301 1.284) 9.396 23.383 ( 0.443 5.656 0.111) 5.675 23.834 ( -0.913 2.175 1.756) 2.941 24.079 ( 0.312 -0.984 -7.843) 7.911 24.293 ( 0.735 8.784 -4.060) 9.705 24.414 ( -0.234 4.363 -8.542) 9.595 ======================= Grid point 113 (61/84) ======================= q-point: (-0.40 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -19.658 -2.597 12.567) 23.476 1.902 ( -8.891 7.901 11.884) 16.814 2.123 ( -6.372 3.321 -3.340) 7.924 2.303 ( 12.691 -2.646 -1.875) 13.098 2.398 ( 2.542 9.791 9.985) 14.213 2.452 ( 0.841 10.573 6.097) 12.234 2.642 ( 4.225 8.839 4.772) 10.897 2.721 ( -1.704 -1.923 -4.757) 5.406 2.790 ( 2.379 7.468 3.324) 8.513 2.950 ( 4.727 -0.972 -0.319) 4.837 3.034 ( 6.219 9.502 -7.821) 13.789 3.192 ( 4.110 2.677 -9.446) 10.643 3.390 ( -3.701 -1.653 17.931) 18.383 3.544 ( -6.292 2.586 3.373) 7.593 3.678 ( 1.664 -4.816 1.062) 5.205 3.735 ( -5.302 6.845 17.794) 19.789 3.868 ( 1.959 2.812 -6.333) 7.201 3.979 ( 2.993 -2.845 8.891) 9.803 4.087 ( 7.450 -1.053 6.324) 9.829 4.213 ( -3.871 3.206 2.767) 5.737 4.375 ( 8.448 4.630 2.293) 9.903 4.404 ( -4.753 1.267 -10.116) 11.248 4.768 ( 0.161 2.687 0.262) 2.704 4.864 ( -2.834 -0.363 -3.966) 4.888 4.920 ( -4.696 3.026 -3.241) 6.458 4.932 ( 3.746 -0.083 -1.437) 4.013 5.158 ( 1.101 6.965 1.720) 7.258 5.252 ( 3.647 1.976 -2.032) 4.619 5.435 ( -1.096 -4.265 3.715) 5.762 5.504 ( 0.425 -2.897 -0.518) 2.973 5.973 ( -1.895 -0.223 1.869) 2.671 6.017 ( -3.871 -3.614 -0.762) 5.350 6.436 ( -3.984 -5.008 -0.295) 6.406 6.455 ( -2.076 -5.208 0.529) 5.631 6.562 ( -1.999 -2.715 0.744) 3.452 6.673 ( 2.985 3.790 -0.502) 4.851 6.744 ( 0.846 3.107 -2.511) 4.083 6.763 ( 1.777 -3.531 -1.909) 4.389 6.978 ( 0.535 1.548 1.813) 2.444 7.033 ( -0.821 -0.444 -1.499) 1.766 7.450 ( 3.638 6.479 -3.205) 8.092 7.494 ( 3.200 3.741 -4.635) 6.762 8.131 ( -4.510 1.826 5.128) 7.069 8.362 ( -2.256 -2.078 -1.832) 3.572 8.380 ( -1.288 -4.161 -2.920) 5.244 8.523 ( 4.057 -0.135 -1.955) 4.506 8.607 ( 3.875 -3.293 3.219) 6.018 8.713 ( -0.848 1.374 -4.437) 4.722 9.018 ( 3.945 3.555 0.683) 5.354 9.047 ( 2.819 3.131 -2.073) 4.696 9.720 ( -9.250 -3.875 4.193) 10.870 9.856 ( -6.076 -3.573 7.298) 10.146 10.023 ( 6.694 0.078 -0.855) 6.749 10.365 ( -3.232 -5.812 3.707) 7.614 10.514 ( 7.540 -4.233 -11.249) 14.188 10.668 ( 9.881 -1.834 3.696) 10.707 10.741 ( 0.664 -0.003 0.703) 0.967 10.888 ( 5.556 -2.626 -1.151) 6.252 11.002 ( -3.827 -1.711 -6.707) 7.909 11.096 ( -2.210 -2.466 -10.403) 10.917 11.297 ( -8.999 0.000 0.648) 9.023 11.373 ( 1.080 1.672 1.570) 2.536 11.688 ( -0.731 -1.107 1.165) 1.766 11.957 ( 5.630 3.093 -9.268) 11.277 12.370 ( 7.042 -0.842 7.434) 10.274 12.430 ( -5.338 -0.919 -3.765) 6.597 12.815 ( 0.326 -5.331 6.145) 8.141 12.893 ( -6.296 -9.019 -1.478) 11.098 13.298 ( -2.810 4.354 -3.958) 6.520 13.321 ( 2.877 -1.203 -0.773) 3.213 13.654 ( -2.414 -0.985 1.910) 3.232 13.788 ( 1.561 -3.614 -3.261) 5.111 14.357 ( -4.940 -0.350 5.567) 7.451 14.648 ( 0.810 5.159 1.786) 5.519 14.708 ( 4.018 11.956 -5.123) 13.614 14.815 ( -3.095 9.907 -7.771) 12.966 15.786 ( -2.056 -2.342 7.765) 8.367 16.048 ( 1.856 -0.974 -3.489) 4.070 16.230 ( -2.191 0.583 9.814) 10.072 16.617 ( 0.412 -0.878 -9.126) 9.177 19.708 ( -1.915 1.471 4.708) 5.291 19.856 ( 2.328 2.158 -0.182) 3.179 20.143 ( -1.104 -1.766 9.156) 9.390 20.558 ( 3.367 -8.328 -9.733) 13.244 21.480 ( -3.849 -4.068 15.309) 16.301 21.749 ( -0.475 -8.147 3.236) 8.779 21.960 ( -1.885 -7.224 13.954) 15.826 22.003 ( -1.802 1.354 9.273) 9.543 22.528 ( 1.067 3.659 -1.118) 3.973 22.607 ( -0.558 -9.735 -5.972) 11.434 23.323 ( 1.011 10.380 1.809) 10.585 23.375 ( -0.976 5.830 -1.126) 6.017 23.823 ( -0.398 2.858 1.885) 3.447 24.073 ( 1.358 -1.956 -6.765) 7.172 24.294 ( 0.412 6.903 -4.299) 8.143 24.404 ( 1.878 5.902 -8.181) 10.261 ======================= Grid point 114 (62/84) ======================= q-point: (-0.20 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -7.388 5.059 17.664) 19.804 1.688 ( -10.762 11.485 15.114) 21.821 1.977 ( -5.756 3.860 -2.525) 7.376 2.382 ( -2.021 20.014 7.759) 21.560 2.536 ( 4.081 5.300 -4.691) 8.170 2.550 ( 5.542 0.129 5.260) 7.642 2.706 ( 3.728 -1.032 -2.799) 4.774 2.771 ( 4.163 2.085 1.280) 4.828 2.826 ( 1.079 3.102 4.703) 5.736 3.058 ( 4.345 2.712 -1.937) 5.476 3.192 ( 3.983 0.396 -1.634) 4.323 3.271 ( 4.923 4.687 -2.601) 7.278 3.424 ( 0.279 -1.914 5.381) 5.718 3.466 ( 0.390 1.285 11.055) 11.136 3.667 ( -5.367 3.676 11.972) 13.625 3.722 ( 0.812 -5.053 5.628) 7.607 3.927 ( -8.681 5.080 -2.051) 10.265 3.992 ( 9.740 6.354 -1.091) 11.681 4.129 ( -2.027 -0.772 -0.199) 2.178 4.278 ( 5.500 -0.452 8.164) 9.854 4.312 ( -0.114 -3.034 -1.973) 3.620 4.549 ( 5.461 6.299 5.133) 9.790 4.685 ( -8.743 3.406 -4.971) 10.619 4.827 ( 3.907 1.475 -4.714) 6.298 4.857 ( 0.571 0.446 -4.360) 4.420 4.972 ( -0.888 4.316 0.985) 4.515 5.203 ( 0.024 2.699 0.264) 2.712 5.267 ( -0.510 1.786 -7.974) 8.188 5.419 ( -0.113 -5.770 4.291) 7.192 5.518 ( 1.613 -1.171 -0.850) 2.167 5.915 ( -3.774 -5.240 1.929) 6.740 6.015 ( 0.947 1.615 4.885) 5.231 6.220 ( -9.108 -2.939 -1.491) 9.686 6.386 ( -4.045 -2.564 -2.926) 5.612 6.587 ( 0.962 -2.425 -1.014) 2.799 6.654 ( -3.122 -2.508 -4.128) 5.751 6.750 ( 1.673 -0.859 0.569) 1.965 6.838 ( 4.609 1.063 4.189) 6.318 6.978 ( -1.885 -0.600 -1.999) 2.812 7.063 ( 3.243 2.909 1.304) 4.548 7.547 ( 2.355 3.198 -0.832) 4.058 7.580 ( 7.382 6.068 -4.744) 10.669 8.043 ( -3.357 2.517 2.040) 4.666 8.257 ( -5.460 -0.595 -3.411) 6.466 8.319 ( -2.586 -4.439 -1.679) 5.405 8.532 ( -5.859 1.237 -6.430) 8.787 8.672 ( 5.344 -1.757 0.602) 5.658 8.745 ( 2.671 -1.285 -0.401) 2.991 9.129 ( 4.676 3.056 1.767) 5.859 9.156 ( 6.264 0.395 -1.346) 6.419 9.575 ( -2.857 -2.854 2.667) 4.839 9.708 ( -8.504 -3.289 6.327) 11.098 10.183 ( 7.219 -3.414 -3.183) 8.597 10.303 ( -2.565 -3.494 3.287) 5.440 10.616 ( 3.118 -3.595 -12.251) 13.143 10.698 ( -4.200 -0.226 -3.570) 5.517 10.830 ( 3.067 -2.852 -6.464) 7.702 10.912 ( -2.387 -3.254 -1.117) 4.187 11.036 ( -3.614 1.040 -5.293) 6.493 11.065 ( 5.293 -0.455 -7.129) 8.891 11.137 ( 3.318 -7.463 12.816) 15.198 11.559 ( 11.716 -1.694 7.895) 14.229 11.707 ( 1.907 0.598 1.960) 2.799 12.031 ( 4.839 7.956 -7.748) 12.114 12.307 ( -5.298 -2.902 -6.650) 8.985 12.506 ( -1.077 1.166 2.641) 3.082 12.688 ( -4.992 -6.702 1.694) 8.527 12.782 ( -5.278 -4.186 3.109) 7.419 13.239 ( 0.241 4.396 -1.653) 4.703 13.372 ( 0.553 -4.334 -0.486) 4.396 13.577 ( -4.279 -0.095 0.385) 4.298 13.745 ( -3.885 -3.204 -5.390) 7.376 14.299 ( -1.662 0.225 6.228) 6.450 14.658 ( -3.707 13.016 -4.596) 14.292 14.689 ( 0.923 2.964 3.286) 4.521 14.838 ( 5.044 8.201 -5.224) 10.954 15.806 ( 1.384 -0.612 8.273) 8.411 16.069 ( 0.474 -0.659 -2.261) 2.402 16.207 ( -2.171 0.666 8.341) 8.644 16.588 ( -0.126 -2.008 -9.043) 9.264 19.702 ( -0.016 1.289 4.741) 4.913 19.897 ( 1.123 1.659 -1.225) 2.348 20.137 ( -1.813 -1.198 8.459) 8.734 20.531 ( -2.958 -6.512 -10.177) 12.439 21.496 ( 0.944 -6.086 14.934) 16.154 21.758 ( 0.172 -11.495 4.098) 12.204 21.960 ( -1.722 -5.966 12.133) 13.630 22.003 ( -1.517 0.015 12.213) 12.306 22.532 ( -0.106 -2.545 -2.008) 3.243 22.595 ( 0.956 1.127 -4.346) 4.591 23.342 ( 0.035 9.395 1.000) 9.448 23.345 ( -0.910 6.379 -1.601) 6.639 23.829 ( 0.224 3.094 2.012) 3.697 24.093 ( 2.198 -2.147 -7.328) 7.946 24.292 ( 0.761 6.450 -3.186) 7.234 24.433 ( 2.811 6.122 -8.597) 10.922 ======================= Grid point 115 (63/84) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 4.534 14.155 10.861) 18.409 1.842 ( -4.432 12.687 14.312) 19.632 2.020 ( -0.821 7.103 -2.852) 7.698 2.497 ( 1.194 3.677 -12.860) 13.428 2.657 ( -1.038 2.882 2.670) 4.063 2.724 ( -4.809 -5.849 3.086) 8.177 2.786 ( -2.588 3.404 5.572) 7.024 2.888 ( 0.642 3.886 -1.563) 4.237 3.093 ( 6.277 10.686 2.176) 12.583 3.103 ( -6.013 1.187 4.849) 7.815 3.233 ( 0.472 -3.524 1.918) 4.040 3.308 ( 6.469 6.866 -0.137) 9.435 3.454 ( -3.582 -5.350 -5.459) 8.442 3.514 ( -0.094 -2.553 5.169) 5.766 3.607 ( -0.533 5.081 4.181) 6.601 3.675 ( -0.876 5.974 12.760) 14.117 4.001 ( -6.004 8.686 1.876) 10.724 4.066 ( -3.149 2.140 1.953) 4.279 4.216 ( 2.596 2.374 1.017) 3.662 4.265 ( -1.591 0.558 2.118) 2.707 4.567 ( 5.994 10.115 5.572) 13.011 4.672 ( -4.068 8.178 5.097) 10.460 4.742 ( 0.659 4.442 -1.405) 4.705 4.879 ( 2.180 -0.594 -5.585) 6.025 5.012 ( -0.636 1.460 4.768) 5.026 5.095 ( 2.232 4.608 2.018) 5.503 5.131 ( 5.460 1.264 2.065) 5.972 5.238 ( 1.503 2.105 -10.697) 11.005 5.420 ( -0.666 2.146 0.047) 2.248 5.498 ( -4.614 -4.186 -0.377) 6.242 5.755 ( -1.447 -4.836 3.253) 6.005 5.901 ( 0.894 -6.246 -2.633) 6.837 6.204 ( 2.213 3.144 0.766) 3.920 6.252 ( -2.295 -3.389 -1.353) 4.311 6.507 ( 1.074 -1.327 -1.092) 2.026 6.530 ( -2.582 -4.602 0.052) 5.277 6.794 ( 1.400 -2.197 0.727) 2.705 6.825 ( -4.297 0.608 -1.447) 4.574 6.964 ( 1.801 -3.349 2.888) 4.775 7.079 ( 1.368 -5.024 -2.458) 5.757 7.689 ( -0.809 7.594 1.669) 7.817 7.773 ( -0.576 3.530 0.532) 3.616 8.116 ( 0.787 4.491 -2.556) 5.227 8.140 ( 0.025 -1.198 -4.427) 4.586 8.258 ( 0.968 1.175 1.334) 2.024 8.383 ( -4.102 -1.402 -6.275) 7.627 8.619 ( -3.574 -4.591 3.335) 6.706 8.739 ( 3.329 -5.946 -1.899) 7.074 9.242 ( -2.044 4.766 1.579) 5.421 9.249 ( 0.611 0.747 1.580) 1.851 9.436 ( 0.254 -4.347 3.162) 5.382 9.647 ( 4.954 -3.781 -4.709) 7.811 10.123 ( -2.560 -1.313 3.832) 4.792 10.321 ( 5.581 -2.692 -6.306) 8.841 10.505 ( -0.619 -2.659 -3.959) 4.809 10.576 ( -3.284 -1.475 -5.811) 6.835 10.755 ( -8.693 -1.345 2.776) 9.224 10.773 ( -4.700 -3.166 1.415) 5.841 10.926 ( 5.511 -1.012 -3.814) 6.778 10.996 ( 4.291 -4.328 -9.871) 11.601 11.467 ( 14.553 -0.105 9.945) 17.627 11.636 ( 5.183 -4.666 6.911) 9.819 11.796 ( -3.674 2.862 -0.513) 4.685 11.986 ( -10.374 -3.553 -7.010) 13.015 12.318 ( -1.634 1.092 -3.436) 3.958 12.349 ( -1.344 3.257 -3.859) 5.225 12.668 ( 3.495 -1.903 3.838) 5.529 12.715 ( 2.346 -1.422 1.815) 3.289 13.228 ( -1.200 -3.103 0.269) 3.338 13.254 ( 0.711 -4.911 0.090) 4.963 13.504 ( -1.193 -0.453 -1.881) 2.273 13.568 ( -3.387 -2.734 -4.236) 6.074 14.451 ( 3.443 6.938 6.574) 10.159 14.662 ( -3.099 1.277 0.194) 3.357 14.918 ( 0.428 12.323 -2.089) 12.506 15.100 ( 4.824 7.399 -8.509) 12.264 15.860 ( -0.108 0.009 6.835) 6.836 16.000 ( -3.417 -2.828 4.804) 6.538 16.232 ( 0.640 1.935 -0.575) 2.118 16.504 ( 2.348 -4.484 -9.207) 10.506 19.761 ( 0.234 2.131 6.410) 6.759 19.916 ( -1.494 0.795 0.983) 1.957 20.118 ( -0.849 0.539 4.658) 4.765 20.371 ( 0.062 -3.655 -4.056) 5.460 21.397 ( -0.685 -6.772 11.026) 12.957 21.477 ( -1.312 -11.914 9.297) 15.169 21.881 ( -0.611 -3.240 7.408) 8.108 21.952 ( -1.420 -4.507 6.272) 7.853 22.491 ( -0.851 2.232 5.081) 5.614 22.657 ( -0.027 0.109 0.333) 0.351 23.431 ( -0.263 4.493 -0.207) 4.505 23.489 ( -0.661 4.564 -2.903) 5.449 23.901 ( -0.138 3.073 0.185) 3.082 24.071 ( 1.414 -2.195 -5.811) 6.371 24.488 ( 2.018 8.587 -6.730) 11.096 24.573 ( 1.216 5.274 -9.923) 11.303 ======================= Grid point 116 (64/84) ======================= q-point: ( 0.20 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 4.783 8.859 12.278) 15.878 1.918 ( 5.014 6.501 11.334) 13.995 2.021 ( 2.091 7.215 -3.035) 8.102 2.456 ( -5.571 2.188 -2.832) 6.622 2.512 ( -9.107 3.781 -2.373) 10.142 2.677 ( -0.852 -1.205 5.397) 5.595 2.717 ( -2.703 1.879 4.490) 5.568 2.867 ( -2.760 2.451 -0.370) 3.709 2.997 ( -4.321 6.315 5.515) 9.432 3.174 ( -0.984 4.853 -2.350) 5.481 3.225 ( -2.710 5.457 -0.180) 6.095 3.314 ( -3.256 7.072 -1.498) 7.929 3.418 ( 1.647 -10.286 -4.098) 11.195 3.496 ( -2.745 -5.363 -0.603) 6.055 3.619 ( 1.630 5.019 11.437) 12.595 3.751 ( 1.417 4.454 13.696) 14.471 3.880 ( -3.056 5.328 2.989) 6.831 4.068 ( 3.105 7.985 6.179) 10.563 4.168 ( -4.398 4.270 -2.785) 6.732 4.284 ( 0.635 3.328 0.565) 3.435 4.458 ( -12.920 5.016 4.342) 14.523 4.715 ( 0.146 3.908 2.457) 4.619 4.781 ( 3.199 5.388 -0.413) 6.280 4.878 ( 0.623 3.419 -3.249) 4.758 4.926 ( -4.038 4.415 -1.774) 6.241 5.131 ( 3.672 4.553 1.135) 5.958 5.200 ( 0.693 2.343 -1.126) 2.690 5.275 ( -1.562 3.861 -4.494) 6.127 5.444 ( -0.284 -3.662 -2.878) 4.666 5.492 ( 2.832 6.226 3.380) 7.630 5.799 ( 6.850 -11.095 2.961) 13.371 5.947 ( 2.274 -6.413 -0.872) 6.860 6.208 ( -0.386 0.171 -0.101) 0.434 6.314 ( 6.909 -1.524 -0.661) 7.106 6.471 ( -1.662 -5.165 0.520) 5.450 6.550 ( 1.958 -0.845 0.039) 2.133 6.711 ( -3.586 0.057 0.383) 3.607 6.852 ( 1.549 -1.771 2.520) 3.448 6.909 ( -4.527 -4.470 -1.321) 6.497 7.154 ( 3.090 -3.855 -1.657) 5.212 7.634 ( -3.551 8.454 0.073) 9.170 7.697 ( -5.034 4.442 -0.099) 6.714 8.114 ( 1.997 -0.897 -0.649) 2.283 8.243 ( -1.579 -3.314 1.698) 4.045 8.258 ( 6.601 3.013 -0.841) 7.305 8.368 ( 3.028 0.408 -3.548) 4.682 8.539 ( -3.657 -3.756 1.213) 5.381 8.754 ( -0.888 -4.256 -1.309) 4.541 9.116 ( -6.603 3.580 0.700) 7.543 9.251 ( -1.264 4.972 1.132) 5.254 9.519 ( 4.495 -5.088 2.305) 7.170 9.748 ( 4.153 -10.809 -4.871) 12.562 10.072 ( -1.298 2.028 1.419) 2.795 10.373 ( -1.354 -0.976 -2.612) 3.100 10.487 ( -0.041 0.986 -5.904) 5.986 10.511 ( -1.561 -3.127 -1.822) 3.941 10.636 ( -0.783 -1.449 3.201) 3.600 10.714 ( -1.448 -3.083 -0.624) 3.463 10.984 ( 3.618 -0.865 -5.662) 6.775 11.135 ( 6.323 1.512 -2.283) 6.890 11.558 ( -10.625 -4.716 -11.656) 16.462 11.657 ( 0.837 -0.315 4.740) 4.824 11.749 ( -2.072 -2.368 -1.620) 3.540 11.931 ( 6.897 -3.691 6.755) 10.336 12.056 ( -11.432 3.316 -0.504) 11.914 12.481 ( 5.064 -1.634 1.476) 5.522 12.686 ( -1.477 -0.252 -1.802) 2.343 12.764 ( 1.494 -3.324 -0.882) 3.750 13.203 ( -0.302 -1.193 0.435) 1.305 13.314 ( 3.419 -4.588 -0.852) 5.784 13.542 ( 4.062 -1.578 1.099) 4.495 13.556 ( 2.801 -2.377 -0.761) 3.751 14.569 ( 4.837 4.491 4.318) 7.887 14.604 ( -2.574 3.166 2.658) 4.869 14.905 ( 0.092 13.131 -6.966) 14.865 15.154 ( 2.222 7.880 -9.303) 12.393 15.838 ( -3.650 -1.755 6.362) 7.541 15.960 ( -1.212 -3.583 4.737) 6.061 16.249 ( 0.816 2.605 0.817) 2.850 16.552 ( 4.079 -3.583 -9.877) 11.270 19.784 ( -0.197 1.598 6.282) 6.485 19.879 ( -1.903 1.725 1.906) 3.199 20.109 ( -1.137 0.794 4.220) 4.442 20.368 ( 0.737 -3.370 -3.503) 4.916 21.392 ( -2.026 -6.763 10.164) 12.375 21.520 ( 1.260 -12.800 9.475) 15.975 21.878 ( -1.821 -2.975 6.843) 7.681 21.947 ( -0.723 -5.015 6.474) 8.221 22.485 ( -1.008 2.164 4.880) 5.433 22.635 ( -1.930 -0.184 0.313) 1.963 23.437 ( 0.571 4.537 0.108) 4.574 23.476 ( 0.453 4.499 -1.711) 4.835 23.897 ( -0.330 2.963 0.594) 3.040 24.072 ( 0.470 -1.927 -6.162) 6.474 24.496 ( 0.703 8.544 -7.188) 11.188 24.556 ( 0.217 5.404 -9.938) 11.315 ======================= Grid point 117 (65/84) ======================= q-point: ( 0.40 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -6.011 -0.568 10.753) 12.332 1.995 ( 5.004 3.081 6.078) 8.454 2.098 ( 5.466 3.742 -4.124) 7.803 2.198 ( -4.790 4.069 10.433) 12.180 2.442 ( -3.332 6.827 -1.787) 7.804 2.678 ( 2.112 6.904 7.395) 10.335 2.748 ( 2.725 -4.356 -2.147) 5.568 2.792 ( -4.378 7.709 9.218) 12.789 2.953 ( -0.937 8.103 0.315) 8.163 3.063 ( -6.879 7.373 -1.688) 10.224 3.144 ( 1.252 10.123 -7.898) 12.901 3.299 ( -0.228 3.607 -4.643) 5.884 3.385 ( -4.484 -5.100 3.532) 7.654 3.472 ( 1.654 -8.229 -1.179) 8.476 3.668 ( -1.491 -2.380 5.795) 6.440 3.786 ( -1.335 -0.983 16.052) 16.138 3.917 ( 3.592 3.297 6.640) 8.238 4.015 ( -5.627 4.118 -8.303) 10.843 4.175 ( -2.528 13.757 10.167) 17.292 4.278 ( 4.791 5.989 2.337) 8.018 4.324 ( -0.561 4.126 -0.905) 4.261 4.579 ( -8.904 2.221 -1.764) 9.345 4.841 ( 3.913 2.830 0.408) 4.847 4.920 ( -0.026 7.978 1.044) 8.046 4.922 ( 1.521 3.837 -3.376) 5.333 5.060 ( -5.117 -1.694 3.266) 6.302 5.251 ( 1.417 2.605 -4.762) 5.610 5.271 ( 1.529 6.037 2.938) 6.886 5.433 ( 0.137 -2.310 -0.854) 2.466 5.498 ( -1.769 6.667 -0.836) 6.948 5.887 ( -1.444 -11.612 3.481) 12.208 5.992 ( 1.951 -4.951 -4.117) 6.728 6.260 ( 3.978 0.084 3.544) 5.328 6.429 ( 3.123 -3.248 -0.463) 4.529 6.501 ( -0.437 -5.670 1.708) 5.938 6.573 ( 3.201 -4.139 -0.734) 5.284 6.704 ( 2.411 5.052 1.328) 5.753 6.825 ( -1.632 -2.060 -1.515) 3.034 6.889 ( 1.519 -2.734 2.932) 4.287 7.131 ( -4.517 -2.068 -3.501) 6.077 7.573 ( -1.164 7.561 -1.534) 7.802 7.616 ( -1.410 6.873 -1.635) 7.204 8.167 ( 0.759 -0.113 4.487) 4.552 8.235 ( 2.276 -5.247 2.843) 6.387 8.379 ( 2.418 1.082 -5.077) 5.727 8.430 ( 3.293 -3.430 2.426) 5.338 8.469 ( -2.472 -3.079 -1.371) 4.180 8.733 ( 0.001 -2.122 -2.842) 3.547 9.035 ( -0.478 4.752 0.823) 4.846 9.202 ( -2.718 6.020 -1.414) 6.755 9.613 ( 2.635 -8.155 3.417) 9.226 9.758 ( -1.313 -10.398 -3.171) 10.950 10.109 ( 2.388 4.011 2.260) 5.186 10.268 ( -4.459 0.888 -1.936) 4.941 10.454 ( -2.879 -2.134 -2.101) 4.154 10.509 ( 3.322 -1.337 -3.916) 5.307 10.690 ( 2.795 -1.808 3.852) 5.091 10.713 ( 2.460 -3.856 -3.218) 5.592 11.053 ( 2.923 2.207 -5.275) 6.422 11.141 ( -5.573 1.011 -5.448) 7.858 11.374 ( -2.150 -4.435 -6.504) 8.161 11.531 ( -9.306 -2.914 -6.384) 11.656 11.719 ( -0.959 1.166 4.315) 4.571 11.921 ( 0.491 2.863 -2.604) 3.901 12.125 ( 7.101 -4.419 8.944) 12.245 12.487 ( -5.947 -8.938 3.303) 11.232 12.689 ( 3.962 2.228 -2.718) 5.296 12.796 ( 0.800 -4.109 -2.038) 4.656 13.224 ( 1.926 0.045 1.149) 2.243 13.358 ( 0.756 -3.476 -2.624) 4.420 13.620 ( 2.254 -1.508 1.847) 3.281 13.654 ( 4.799 -2.101 -0.090) 5.240 14.524 ( -5.115 4.599 6.352) 9.362 14.690 ( 3.435 3.339 4.261) 6.411 14.901 ( 2.566 12.414 -11.475) 17.099 15.126 ( -2.019 7.917 -10.129) 13.013 15.778 ( -3.073 -0.975 7.551) 8.211 15.971 ( 1.164 -3.179 1.723) 3.799 16.266 ( -0.084 2.857 3.297) 4.364 16.591 ( 1.957 -3.116 -9.843) 10.508 19.780 ( -2.040 1.897 6.123) 6.727 19.865 ( 0.091 1.444 3.179) 3.493 20.105 ( -0.238 0.449 3.720) 3.754 20.374 ( 0.927 -5.649 -4.758) 7.444 21.391 ( -1.472 -5.473 12.213) 13.464 21.554 ( -0.940 -11.182 8.214) 13.906 21.852 ( -2.233 -3.621 7.363) 8.504 21.961 ( 0.069 -5.491 5.744) 7.946 22.485 ( -0.183 0.731 3.170) 3.258 22.592 ( -1.730 0.877 1.180) 2.270 23.457 ( 1.348 5.044 -0.125) 5.223 23.490 ( 0.585 4.222 -0.145) 4.265 23.892 ( -0.230 3.148 0.414) 3.183 24.056 ( -0.132 -1.474 -5.527) 5.722 24.479 ( -0.014 8.052 -7.570) 11.052 24.533 ( 0.942 5.988 -9.835) 11.553 ======================= Grid point 118 (66/84) ======================= q-point: (-0.40 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -12.837 6.004 12.058) 18.608 2.109 ( -3.040 10.539 9.462) 14.485 2.134 ( -2.342 -2.827 0.865) 3.772 2.324 ( 9.904 4.620 -3.897) 11.603 2.459 ( 6.572 1.758 7.353) 10.018 2.687 ( -1.417 2.478 -2.451) 3.762 2.785 ( -0.298 11.691 7.967) 14.150 2.856 ( -1.395 8.050 -3.483) 8.882 2.884 ( 6.953 0.374 3.433) 7.763 3.045 ( 1.353 9.879 0.659) 9.993 3.198 ( -2.074 0.621 -8.119) 8.403 3.260 ( 8.956 6.025 -5.889) 12.296 3.361 ( -1.690 0.672 6.108) 6.373 3.492 ( 0.545 -8.101 1.418) 8.243 3.592 ( -5.375 -0.235 5.130) 7.434 3.819 ( -2.522 -0.725 15.183) 15.408 3.930 ( 1.164 2.438 -5.099) 5.771 4.016 ( 2.092 3.051 9.251) 9.963 4.155 ( 1.871 10.334 7.225) 12.747 4.284 ( -2.112 2.858 -3.929) 5.298 4.421 ( -4.077 3.816 -0.212) 5.589 4.461 ( 7.540 1.896 1.367) 7.894 4.858 ( -3.123 1.422 -1.563) 3.771 4.916 ( -2.034 7.704 0.954) 8.025 4.943 ( 2.952 1.045 2.178) 3.815 4.994 ( -1.742 4.110 -0.679) 4.515 5.262 ( -0.185 0.706 -2.377) 2.487 5.314 ( 2.364 -0.330 1.233) 2.687 5.389 ( -5.569 4.133 1.158) 7.031 5.482 ( 2.592 2.250 0.371) 3.452 5.841 ( -2.668 -7.160 3.110) 8.249 5.998 ( 0.262 -3.046 -3.397) 4.570 6.336 ( 0.014 -3.096 3.678) 4.807 6.372 ( -6.557 -2.224 -1.484) 7.081 6.488 ( 0.306 -3.826 2.764) 4.730 6.648 ( 1.431 -5.565 -3.721) 6.845 6.742 ( 1.364 1.934 1.868) 3.015 6.828 ( -0.439 3.469 -3.109) 4.679 6.968 ( 3.844 -3.058 2.514) 5.518 7.004 ( -2.969 -2.149 -1.860) 4.110 7.583 ( 2.413 6.601 -1.836) 7.265 7.634 ( 3.425 7.942 -2.846) 9.106 8.164 ( -2.174 -0.276 5.801) 6.202 8.290 ( -0.705 -1.470 0.770) 1.803 8.340 ( -2.886 -1.550 -5.283) 6.216 8.467 ( 4.243 -4.251 -2.608) 6.548 8.524 ( 3.802 -4.279 4.553) 7.314 8.710 ( -1.819 -2.242 -6.311) 6.940 9.083 ( 3.552 3.232 1.370) 4.994 9.164 ( 0.886 6.297 -2.071) 6.688 9.577 ( -5.985 -8.022 3.650) 10.653 9.744 ( -1.111 -7.246 -1.867) 7.564 10.076 ( -1.748 4.712 0.062) 5.026 10.265 ( -0.649 -2.166 5.275) 5.739 10.450 ( 5.664 -2.201 -8.884) 10.763 10.612 ( 6.822 -3.801 -1.816) 8.018 10.722 ( 0.083 -1.093 1.012) 1.491 10.805 ( 4.856 -4.719 -0.987) 6.843 10.967 ( -4.785 -0.696 -4.608) 6.679 11.061 ( -1.176 -1.184 -8.072) 8.242 11.298 ( -8.367 -0.104 -0.136) 8.368 11.382 ( 0.285 -0.966 -0.598) 1.171 11.707 ( 0.153 3.366 4.848) 5.904 12.016 ( 7.446 2.126 -6.682) 10.228 12.301 ( 3.974 -6.272 7.743) 10.728 12.366 ( -1.561 -4.973 0.573) 5.243 12.733 ( -2.850 -1.554 -1.974) 3.800 12.756 ( -1.791 -3.648 -1.526) 4.341 13.272 ( 1.168 -1.964 1.669) 2.830 13.325 ( -2.515 -1.793 -3.757) 4.863 13.640 ( -0.808 -0.333 0.163) 0.889 13.725 ( 1.460 -2.563 -2.900) 4.137 14.435 ( -4.743 6.955 8.825) 12.197 14.740 ( 0.268 2.450 4.261) 4.923 14.945 ( 4.220 9.610 -9.702) 14.293 15.015 ( -4.529 8.090 -9.712) 13.427 15.769 ( -0.044 1.443 8.240) 8.365 16.013 ( 2.152 -2.438 -0.380) 3.274 16.258 ( -1.680 2.420 4.162) 5.099 16.573 ( -0.681 -3.569 -9.164) 9.858 19.751 ( -1.996 2.502 6.313) 7.079 19.894 ( 1.290 0.597 3.117) 3.426 20.116 ( -0.086 0.050 3.670) 3.671 20.379 ( 1.106 -7.653 -6.029) 9.805 21.389 ( -2.679 -4.092 13.736) 14.580 21.539 ( -2.357 -9.937 7.743) 12.816 21.841 ( -0.834 -4.128 8.090) 9.121 21.974 ( -0.698 -5.243 5.241) 7.447 22.488 ( -0.385 -0.099 2.291) 2.325 22.590 ( 1.210 1.862 1.740) 2.822 23.480 ( -0.349 4.134 -0.096) 4.150 23.495 ( 0.890 5.261 -0.843) 5.402 23.894 ( 0.364 3.445 -0.097) 3.466 24.040 ( 0.388 -1.407 -4.568) 4.796 24.457 ( 0.507 7.967 -7.581) 11.009 24.540 ( 2.375 5.990 -9.571) 11.538 ======================= Grid point 119 (67/84) ======================= q-point: (-0.20 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -0.805 12.343 13.176) 18.072 1.976 ( -9.627 15.010 11.692) 21.323 2.070 ( -2.983 3.713 -1.243) 4.923 2.471 ( 4.256 -1.823 -1.955) 5.026 2.644 ( 1.461 3.741 -3.927) 5.617 2.710 ( 9.050 0.846 -1.894) 9.285 2.761 ( -0.314 6.093 3.546) 7.057 2.895 ( 0.260 8.270 0.579) 8.294 2.991 ( -1.020 6.360 1.349) 6.581 3.089 ( 8.866 6.019 2.924) 11.108 3.194 ( 0.018 4.334 -0.013) 4.334 3.294 ( -4.669 -4.593 2.095) 6.877 3.472 ( 9.424 6.460 -7.337) 13.578 3.501 ( -2.671 2.270 15.029) 15.432 3.528 ( 0.137 -9.881 -2.808) 10.273 3.749 ( -6.186 1.770 12.454) 14.018 4.007 ( 4.066 1.692 1.594) 4.684 4.114 ( 3.460 4.014 2.332) 5.790 4.182 ( -4.442 3.328 4.254) 6.993 4.260 ( 1.502 1.830 1.472) 2.787 4.404 ( 5.255 11.249 -0.776) 12.440 4.652 ( 8.439 2.784 4.673) 10.040 4.788 ( -5.278 1.620 2.274) 5.971 4.855 ( -0.988 4.623 3.410) 5.829 4.915 ( -0.968 4.587 -6.959) 8.391 5.022 ( 1.129 2.096 1.923) 3.061 5.225 ( -4.311 -4.464 2.979) 6.884 5.267 ( -2.087 -0.269 -5.565) 5.950 5.383 ( 2.814 3.246 0.676) 4.349 5.566 ( 2.603 5.863 1.641) 6.621 5.784 ( -3.700 -6.679 2.120) 7.924 5.962 ( -3.155 -6.763 -3.288) 8.155 6.218 ( -4.326 2.731 0.273) 5.123 6.311 ( -2.845 -3.232 0.710) 4.364 6.506 ( 0.267 -4.311 0.291) 4.329 6.589 ( -3.375 -2.918 -2.964) 5.356 6.775 ( -0.766 1.545 -2.461) 3.005 6.840 ( 5.295 -1.301 1.637) 5.693 6.933 ( -2.765 -2.839 -0.614) 4.010 7.071 ( 1.936 -2.428 0.928) 3.241 7.650 ( 3.406 6.024 -0.365) 6.930 7.721 ( 4.461 6.259 -1.900) 7.917 8.125 ( -2.248 4.444 2.373) 5.517 8.227 ( -3.716 -2.496 -5.528) 7.113 8.258 ( -2.082 0.648 0.206) 2.190 8.530 ( -4.860 -1.757 -5.666) 7.669 8.605 ( 5.316 -4.883 1.210) 7.319 8.662 ( 1.575 -6.195 -1.358) 6.535 9.172 ( 4.634 1.063 -0.068) 4.755 9.220 ( 2.550 4.473 1.647) 5.406 9.476 ( -3.168 -4.597 2.795) 6.244 9.651 ( -4.722 -2.753 -0.993) 5.555 10.109 ( 3.163 -1.858 -1.441) 3.941 10.256 ( 0.078 -0.896 2.938) 3.072 10.527 ( 1.813 -4.637 -8.807) 10.117 10.671 ( -2.226 -3.844 -7.085) 8.362 10.761 ( 5.728 -1.920 -3.298) 6.883 10.843 ( -2.576 -3.016 -0.805) 4.048 10.984 ( -1.407 -3.148 1.265) 3.673 11.012 ( -2.065 -3.989 -3.177) 5.502 11.133 ( 4.519 4.280 3.377) 7.081 11.483 ( 6.648 -5.154 6.571) 10.675 11.768 ( 3.268 4.685 3.838) 6.882 12.157 ( 6.938 1.667 -6.737) 9.813 12.223 ( -5.423 -2.632 -4.614) 7.592 12.527 ( 7.231 -3.173 7.253) 10.722 12.565 ( -9.200 -0.799 -2.289) 9.514 12.711 ( -2.405 -2.289 -0.633) 3.380 13.248 ( -1.791 -2.559 -1.832) 3.621 13.282 ( -1.446 -3.484 0.417) 3.795 13.583 ( -3.884 0.418 -2.385) 4.577 13.681 ( -4.022 -2.874 -5.219) 7.188 14.397 ( -0.971 7.735 9.054) 11.948 14.730 ( -2.776 0.271 3.685) 4.621 14.920 ( -0.802 11.135 -5.959) 12.655 15.017 ( 4.896 7.844 -8.145) 12.322 15.816 ( 1.558 1.893 7.678) 8.060 16.040 ( -0.462 -2.277 1.525) 2.779 16.232 ( -1.077 1.921 1.806) 2.848 16.521 ( -0.934 -4.430 -8.686) 9.795 19.743 ( -0.574 2.607 6.376) 6.912 19.924 ( 0.401 0.112 2.092) 2.133 20.120 ( -0.601 0.297 3.848) 3.906 20.381 ( 0.618 -6.697 -5.507) 8.692 21.376 ( -1.751 -4.788 13.031) 13.993 21.506 ( -3.004 -10.392 8.544) 13.784 21.861 ( 0.035 -3.847 8.062) 8.933 21.965 ( -1.458 -4.668 5.514) 7.370 22.489 ( -0.369 1.403 3.859) 4.123 22.633 ( 1.841 0.888 0.873) 2.223 23.453 ( -1.384 4.587 -0.753) 4.850 23.506 ( 0.063 4.680 -1.976) 5.081 23.901 ( 0.245 3.351 -0.489) 3.395 24.050 ( 1.710 -1.918 -4.539) 5.216 24.461 ( 2.005 8.477 -7.023) 11.189 24.564 ( 2.317 5.530 -9.572) 11.295 ======================= Grid point 120 (68/84) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 4.345 10.404 5.352) 12.481 2.058 ( -1.487 1.678 0.563) 2.312 2.193 ( -5.350 13.498 10.359) 17.836 2.482 ( -3.134 -9.570 2.393) 10.351 2.581 ( -3.578 -0.123 1.035) 3.727 2.682 ( -2.493 -6.768 -0.060) 7.213 2.813 ( 0.727 7.968 -3.509) 8.737 2.945 ( 3.667 -2.877 -4.398) 6.408 3.162 ( 1.433 4.610 0.273) 4.835 3.178 ( 0.306 1.035 -0.423) 1.159 3.241 ( -0.169 1.084 0.530) 1.218 3.297 ( -1.132 -3.047 1.639) 3.640 3.403 ( -1.439 -0.564 1.630) 2.246 3.465 ( -4.735 -3.865 1.135) 6.217 3.731 ( -0.742 5.987 9.717) 11.438 3.795 ( -0.352 1.514 7.937) 8.087 4.129 ( 4.243 3.596 1.520) 5.766 4.138 ( -0.875 3.155 0.172) 3.278 4.305 ( -0.477 7.068 4.888) 8.606 4.367 ( -0.626 5.357 -0.046) 5.393 4.694 ( 0.000 -0.359 8.628) 8.635 4.765 ( 3.215 -3.560 5.716) 7.462 4.811 ( 1.222 6.263 -0.599) 6.409 4.912 ( -2.182 -0.834 -4.706) 5.254 5.022 ( -0.431 6.819 5.517) 8.782 5.125 ( 6.145 2.692 4.177) 7.902 5.188 ( 7.937 0.919 2.386) 8.338 5.303 ( -4.591 -9.035 0.872) 10.172 5.352 ( -0.224 2.562 -6.199) 6.711 5.451 ( -1.231 -1.842 -4.526) 5.039 5.722 ( -3.603 1.827 -0.828) 4.124 5.786 ( -0.322 -3.992 -3.254) 5.160 6.205 ( -0.397 1.509 1.743) 2.340 6.260 ( 0.479 -1.596 0.062) 1.668 6.460 ( -2.048 0.785 -0.056) 2.195 6.502 ( -0.452 -1.430 -2.961) 3.320 6.776 ( 1.175 1.939 2.622) 3.466 6.839 ( -2.321 -0.621 1.327) 2.745 6.881 ( 1.027 -2.585 -0.577) 2.841 6.944 ( -1.154 -6.484 -1.541) 6.764 7.810 ( 0.748 3.603 3.078) 4.798 7.839 ( -0.410 1.705 4.439) 4.773 8.101 ( -3.328 0.995 -5.576) 6.569 8.175 ( -2.691 -3.202 -5.949) 7.272 8.319 ( 0.312 5.420 1.422) 5.612 8.382 ( 0.173 0.938 -1.992) 2.208 8.531 ( -1.305 -2.536 1.055) 3.041 8.590 ( 3.346 -6.916 -0.522) 7.700 9.268 ( 1.316 1.403 2.843) 3.432 9.302 ( 2.172 -1.100 4.525) 5.139 9.426 ( -2.102 4.938 -4.270) 6.859 9.550 ( -0.086 -5.593 -6.190) 8.343 10.150 ( 0.243 3.469 0.984) 3.614 10.243 ( 2.655 -4.658 -3.916) 6.639 10.479 ( 1.893 0.823 -4.105) 4.595 10.528 ( -0.894 -2.980 -5.651) 6.451 10.729 ( -4.373 -0.920 1.165) 4.618 10.730 ( -6.675 -0.867 2.373) 7.137 10.907 ( 3.413 -0.289 -6.121) 7.014 10.926 ( 5.284 -2.124 -7.133) 9.128 11.483 ( 11.569 1.819 10.273) 15.579 11.544 ( 8.003 -3.840 9.312) 12.865 11.849 ( -7.190 2.481 -2.786) 8.100 11.910 ( -8.302 -3.366 -4.495) 10.023 12.365 ( -3.812 3.211 -2.858) 5.745 12.405 ( -1.057 0.587 -4.704) 4.857 12.641 ( 4.742 -0.275 3.271) 5.767 12.670 ( 2.469 -2.487 2.230) 4.154 13.181 ( 0.034 -1.088 0.405) 1.161 13.186 ( -0.166 -1.563 0.372) 1.615 13.498 ( -2.254 0.197 -3.386) 4.072 13.519 ( -2.954 -1.821 -4.263) 5.497 14.584 ( 1.176 5.178 6.230) 8.186 14.657 ( -1.397 -1.810 4.219) 4.799 15.136 ( 2.606 7.334 -6.538) 10.164 15.199 ( 4.401 1.324 -8.497) 9.660 15.880 ( -2.557 1.936 7.364) 8.032 15.936 ( -4.005 -3.119 7.040) 8.679 16.290 ( 1.810 3.867 -5.349) 6.843 16.393 ( 2.468 -5.639 -7.952) 10.056 19.819 ( -0.580 3.281 7.716) 8.405 19.889 ( -1.224 -3.005 6.937) 7.658 20.174 ( 0.417 4.510 -2.590) 5.217 20.279 ( 1.032 -4.999 -4.600) 6.872 21.299 ( -1.593 -2.276 11.293) 11.630 21.314 ( -2.415 -3.975 10.775) 11.736 21.833 ( -0.068 -0.822 3.926) 4.012 21.859 ( -0.634 -3.286 3.103) 4.563 22.568 ( -1.177 4.032 7.670) 8.745 22.635 ( -1.000 -2.199 5.457) 5.968 23.508 ( -0.392 2.641 -1.052) 2.870 23.535 ( -0.476 0.210 -2.296) 2.354 23.963 ( 0.142 2.860 -1.225) 3.115 24.020 ( 0.784 -2.564 -3.070) 4.076 24.624 ( 1.998 3.956 -9.259) 10.265 24.649 ( 1.527 1.481 -10.060) 10.282 ======================= Grid point 121 (69/84) ======================= q-point: ( 0.20 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -2.770 7.878 6.120) 10.353 2.037 ( 0.933 3.154 3.538) 4.831 2.174 ( -0.160 7.177 4.726) 8.594 2.341 ( -7.600 -8.218 8.617) 14.126 2.581 ( -0.364 -0.813 1.173) 1.473 2.602 ( -2.766 -4.061 1.498) 5.136 2.842 ( 1.571 13.341 -1.171) 13.485 3.024 ( 1.187 7.094 -2.159) 7.510 3.121 ( -2.927 -1.204 4.924) 5.853 3.156 ( -2.196 -11.460 -1.486) 11.763 3.191 ( 0.646 3.391 -4.002) 5.285 3.316 ( -0.286 5.500 3.364) 6.454 3.337 ( -3.982 -7.951 -1.730) 9.059 3.417 ( -1.511 -2.040 1.121) 2.775 3.711 ( -3.335 3.922 11.290) 12.409 3.776 ( -3.774 -1.922 12.776) 13.459 4.058 ( -5.137 8.857 -1.120) 10.300 4.161 ( -1.859 -1.162 -4.367) 4.886 4.312 ( 1.742 7.090 -1.872) 7.537 4.378 ( 1.403 3.609 -0.747) 3.944 4.569 ( -9.449 8.160 4.679) 13.333 4.778 ( -3.162 -5.963 4.345) 8.027 4.831 ( 0.566 4.657 1.827) 5.034 4.911 ( 2.404 -0.542 -0.639) 2.545 5.051 ( 2.123 8.000 4.777) 9.556 5.224 ( -2.634 -5.109 4.437) 7.261 5.262 ( 0.136 5.527 -4.884) 7.377 5.330 ( 7.663 4.278 -2.121) 9.029 5.370 ( -2.071 -0.381 -6.722) 7.044 5.535 ( 7.847 -10.564 1.751) 13.276 5.656 ( 0.615 6.292 0.746) 6.365 5.802 ( 2.302 -6.991 -0.145) 7.362 6.237 ( 2.378 3.039 2.319) 4.502 6.311 ( 4.356 -2.000 -0.492) 4.819 6.394 ( -2.823 0.762 1.559) 3.314 6.478 ( -1.478 -5.018 -1.116) 5.349 6.779 ( -1.401 2.283 -0.145) 2.682 6.815 ( -2.634 -3.035 1.121) 4.172 6.841 ( 1.216 4.022 1.916) 4.618 7.011 ( 3.671 -8.902 -0.018) 9.630 7.785 ( -4.115 4.276 1.184) 6.051 7.793 ( -3.002 4.298 2.928) 6.005 8.074 ( 1.615 -1.131 -0.825) 2.138 8.134 ( -0.377 -5.826 -0.129) 5.840 8.339 ( 1.291 3.786 -0.171) 4.004 8.392 ( 0.156 -0.569 -2.283) 2.358 8.508 ( -0.222 3.058 -1.012) 3.228 8.632 ( 1.010 -6.887 -0.694) 6.996 9.222 ( -4.181 6.404 0.142) 7.650 9.322 ( -1.192 -0.085 2.654) 2.911 9.437 ( 2.255 -1.163 -0.548) 2.596 9.527 ( 0.241 -8.792 -5.756) 10.511 10.169 ( 2.089 6.476 -1.595) 6.989 10.307 ( 3.501 -5.711 -2.927) 7.310 10.462 ( -3.168 0.004 -5.214) 6.101 10.487 ( -0.664 -1.548 -6.238) 6.461 10.629 ( -2.158 0.826 2.720) 3.569 10.660 ( -1.815 -2.031 1.757) 3.242 11.008 ( 7.617 3.707 -5.051) 9.863 11.109 ( 10.520 -4.412 -3.998) 12.088 11.545 ( -14.224 3.505 -8.900) 17.142 11.637 ( -5.763 -3.308 -3.069) 7.319 11.710 ( 1.906 0.889 6.748) 7.068 11.795 ( 3.594 -6.546 8.500) 11.315 12.200 ( -7.236 8.476 1.461) 11.240 12.377 ( -3.427 -7.662 1.824) 8.589 12.702 ( 1.901 1.747 -3.384) 4.256 12.735 ( 2.449 -0.996 -2.531) 3.661 13.197 ( 1.516 0.582 0.158) 1.631 13.231 ( 2.985 -2.852 -0.161) 4.132 13.514 ( 3.572 -0.698 0.469) 3.669 13.520 ( 3.498 -1.067 -0.370) 3.676 14.637 ( 0.797 2.328 4.795) 5.390 14.656 ( 0.707 0.860 4.803) 4.930 15.149 ( 0.876 8.887 -10.024) 13.425 15.244 ( 1.974 0.116 -10.608) 10.791 15.830 ( -3.566 1.220 8.030) 8.870 15.884 ( -2.202 -3.463 7.870) 8.875 16.328 ( 2.677 5.050 -4.635) 7.359 16.449 ( 4.091 -5.918 -8.096) 10.831 19.827 ( -0.982 2.410 7.593) 8.027 19.876 ( -1.882 -1.840 6.924) 7.407 20.168 ( -0.084 4.614 -2.837) 5.418 20.276 ( 0.159 -5.146 -4.927) 7.126 21.299 ( -1.208 -1.741 11.405) 11.600 21.331 ( 0.128 -5.106 11.845) 12.899 21.831 ( -1.293 -1.058 3.177) 3.589 21.850 ( -0.918 -3.135 3.057) 4.474 22.557 ( -1.861 3.724 7.820) 8.859 22.617 ( -2.071 -1.778 5.649) 6.274 23.508 ( 0.625 2.296 -0.482) 2.428 23.528 ( 0.510 0.583 -1.667) 1.837 23.961 ( -0.016 3.060 -1.008) 3.221 24.022 ( 0.307 -2.705 -3.165) 4.175 24.625 ( 0.846 3.518 -9.571) 10.232 24.640 ( 0.694 1.997 -10.304) 10.518 ======================= Grid point 122 (70/84) ======================= q-point: ( 0.40 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -4.618 1.514 9.162) 10.371 2.009 ( -2.373 -0.828 7.035) 7.470 2.201 ( 4.494 5.238 -1.828) 7.140 2.270 ( 0.286 0.177 3.338) 3.355 2.533 ( -2.067 3.996 6.734) 8.099 2.638 ( 2.234 -5.336 6.373) 8.607 2.860 ( 0.299 10.260 0.458) 10.274 2.988 ( -1.867 6.371 5.761) 8.790 3.044 ( -2.817 0.245 0.953) 2.984 3.152 ( -3.899 5.250 -3.479) 7.407 3.219 ( -1.354 -9.534 -1.631) 9.767 3.268 ( 4.461 -3.258 -2.417) 6.030 3.339 ( 1.021 0.096 -3.248) 3.406 3.360 ( -0.756 0.709 -3.284) 3.443 3.679 ( -2.925 2.955 12.492) 13.165 3.745 ( -2.635 -2.905 16.331) 16.795 3.984 ( -1.301 3.617 1.419) 4.097 4.041 ( -5.444 -1.248 -6.012) 8.206 4.351 ( 2.432 2.380 -7.295) 8.050 4.381 ( 0.386 0.549 -6.660) 6.693 4.492 ( -0.075 14.682 7.258) 16.378 4.684 ( -6.383 1.814 2.592) 7.124 4.865 ( 1.639 -0.413 4.277) 4.599 4.934 ( -1.942 -2.655 1.501) 3.616 5.081 ( -0.754 5.426 2.413) 5.986 5.103 ( -5.185 4.413 2.410) 7.223 5.270 ( -0.353 0.055 -1.014) 1.075 5.302 ( -2.303 -1.113 -5.301) 5.886 5.445 ( 4.437 3.667 -0.950) 5.834 5.594 ( -0.488 -6.930 -0.253) 6.952 5.734 ( 3.079 5.690 3.359) 7.289 5.878 ( 2.934 -5.766 -1.332) 6.605 6.296 ( 1.528 3.123 3.413) 4.872 6.385 ( 0.151 -4.697 4.125) 6.253 6.407 ( 2.306 0.442 -0.981) 2.545 6.466 ( 2.184 -4.690 0.076) 5.174 6.779 ( 0.630 -1.014 1.244) 1.724 6.792 ( 2.813 -0.923 1.879) 3.507 6.873 ( -0.021 5.473 0.785) 5.529 7.027 ( -2.484 -7.236 -1.782) 7.855 7.720 ( -1.503 5.558 0.105) 5.758 7.746 ( -1.019 3.856 0.735) 4.056 8.125 ( -0.300 -2.673 4.064) 4.874 8.143 ( 3.674 -3.227 2.041) 5.299 8.359 ( -1.890 -1.225 -2.257) 3.189 8.368 ( 1.048 -1.962 0.203) 2.233 8.511 ( 0.492 5.787 -3.369) 6.715 8.645 ( 0.586 -6.019 -3.049) 6.773 9.162 ( -1.313 7.224 1.230) 7.445 9.279 ( -2.766 -0.769 1.043) 3.054 9.477 ( 1.369 -3.134 -1.133) 3.603 9.540 ( 2.440 -7.967 -4.764) 9.598 10.232 ( 3.427 6.835 0.002) 7.646 10.311 ( -4.340 1.497 0.123) 4.593 10.399 ( -0.685 -2.244 -5.300) 5.796 10.448 ( 1.819 -4.715 -9.024) 10.343 10.643 ( 2.224 -0.612 2.735) 3.578 10.662 ( 1.107 -1.786 2.741) 3.454 11.124 ( 1.711 4.825 -7.503) 9.083 11.207 ( -11.562 1.080 -11.334) 16.227 11.293 ( 4.675 0.060 -0.450) 4.697 11.417 ( -6.870 -7.288 -4.911) 11.154 11.784 ( 1.593 4.748 7.197) 8.768 11.901 ( 2.623 -5.467 5.918) 8.473 12.118 ( -0.293 5.465 4.340) 6.984 12.285 ( -4.768 -9.502 3.562) 11.212 12.732 ( 1.863 1.900 -5.199) 5.840 12.762 ( 0.912 -0.783 -4.824) 4.971 13.235 ( 1.553 1.189 0.516) 2.023 13.281 ( 1.400 -3.223 -0.995) 3.652 13.601 ( 3.253 -0.041 1.425) 3.552 13.618 ( 4.200 -1.446 0.547) 4.476 14.633 ( -2.068 5.035 7.170) 9.002 14.708 ( 1.080 -1.640 6.299) 6.598 15.120 ( 0.113 7.748 -12.679) 14.860 15.207 ( -1.819 -0.330 -11.897) 12.039 15.807 ( -0.615 3.430 7.823) 8.564 15.894 ( 0.888 -4.200 5.939) 7.328 16.358 ( 0.921 5.853 -3.474) 6.868 16.491 ( 1.691 -6.137 -7.912) 10.155 19.822 ( -1.699 2.037 7.606) 8.055 19.861 ( -1.288 -1.479 7.419) 7.674 20.159 ( 0.194 4.208 -3.085) 5.221 20.260 ( -0.027 -5.216 -5.163) 7.340 21.320 ( -0.686 -0.846 12.782) 12.828 21.370 ( -0.464 -5.775 12.014) 13.338 21.805 ( -1.536 -0.526 2.477) 2.962 21.843 ( -0.397 -4.298 1.925) 4.726 22.544 ( -1.455 3.439 7.405) 8.293 22.594 ( -1.417 -1.086 5.891) 6.156 23.528 ( 1.091 2.034 -0.120) 2.311 23.542 ( 0.894 0.772 -0.760) 1.404 23.958 ( 0.039 3.038 -0.985) 3.194 24.015 ( -0.026 -2.378 -2.907) 3.756 24.605 ( 0.404 3.664 -9.857) 10.524 24.623 ( 0.997 1.994 -10.502) 10.736 ======================= Grid point 123 (71/84) ======================= q-point: (-0.40 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.547 8.411 9.222) 13.658 2.010 ( -0.736 -7.194 5.425) 9.040 2.340 ( 3.348 8.217 2.817) 9.309 2.403 ( 12.158 1.308 -4.801) 13.137 2.510 ( -2.679 5.217 8.263) 10.133 2.674 ( -1.568 -6.494 4.828) 8.243 2.900 ( 3.078 6.492 1.484) 7.337 2.988 ( 0.425 5.943 3.258) 6.791 3.022 ( -1.438 4.485 -1.401) 4.913 3.075 ( 2.023 -6.197 0.462) 6.535 3.165 ( -3.229 0.180 -2.158) 3.887 3.274 ( -0.105 -6.864 -1.502) 7.028 3.408 ( 5.952 3.839 -4.486) 8.384 3.444 ( 6.025 2.299 -5.179) 8.271 3.651 ( -3.441 5.197 12.440) 13.914 3.761 ( -1.292 -4.270 13.309) 14.036 3.959 ( 0.130 1.097 -3.141) 3.330 4.004 ( 2.087 -2.575 4.568) 5.644 4.350 ( -0.466 3.449 -6.233) 7.139 4.386 ( 1.207 2.648 -6.103) 6.761 4.530 ( 0.045 10.113 8.436) 13.169 4.569 ( -1.863 7.284 3.078) 8.124 4.823 ( -4.363 -2.514 3.173) 5.952 4.931 ( -1.162 -7.120 4.318) 8.408 5.018 ( -1.755 4.119 2.611) 5.183 5.089 ( -1.161 0.622 5.110) 5.277 5.231 ( -0.020 0.747 -2.981) 3.073 5.291 ( 1.598 -0.579 -2.801) 3.276 5.507 ( -6.626 3.773 -1.675) 7.807 5.544 ( 3.490 1.457 1.734) 4.161 5.785 ( 0.336 2.867 2.630) 3.906 5.890 ( -0.839 -5.827 -3.407) 6.802 6.319 ( -0.865 0.648 3.431) 3.597 6.346 ( -3.559 -1.376 1.835) 4.234 6.442 ( 1.113 0.981 0.369) 1.528 6.524 ( 2.240 -5.744 -2.114) 6.518 6.788 ( -1.875 2.885 1.671) 3.825 6.870 ( -1.772 -3.594 0.594) 4.050 6.887 ( 2.473 0.850 -0.343) 2.638 6.943 ( 0.461 -3.301 -0.665) 3.399 7.719 ( 1.190 5.453 0.089) 5.582 7.759 ( 1.723 2.566 -0.115) 3.093 8.141 ( 0.947 1.051 2.659) 3.012 8.239 ( 3.256 -6.596 -0.198) 7.358 8.330 ( 0.420 2.910 0.838) 3.057 8.409 ( 2.640 -3.812 1.383) 4.839 8.485 ( -1.454 3.895 -3.407) 5.376 8.613 ( -2.673 -6.487 -6.386) 9.487 9.162 ( 0.467 4.194 2.615) 4.965 9.235 ( -1.204 -1.084 1.811) 2.430 9.482 ( 0.055 0.843 -3.391) 3.494 9.582 ( 1.909 -7.204 -5.092) 9.027 10.194 ( -4.515 5.606 -0.166) 7.200 10.260 ( -2.007 -0.166 4.084) 4.554 10.419 ( 4.548 0.200 -8.296) 9.463 10.499 ( 3.771 -6.261 -7.120) 10.204 10.715 ( 2.678 0.406 2.927) 3.988 10.735 ( 4.905 -1.704 3.549) 6.289 10.983 ( -5.321 1.940 -6.353) 8.511 11.029 ( -4.136 -2.029 -8.145) 9.358 11.300 ( -4.451 0.818 0.175) 4.529 11.340 ( -1.730 -2.576 -0.739) 3.190 11.831 ( 1.809 8.029 5.896) 10.124 11.998 ( 4.753 -5.738 1.184) 7.544 12.190 ( 3.385 -0.982 3.982) 5.318 12.250 ( 3.020 -5.212 2.298) 6.447 12.727 ( -2.512 0.304 -4.364) 5.044 12.731 ( -1.285 0.102 -5.091) 5.252 13.249 ( -0.834 -0.065 0.644) 1.056 13.274 ( -1.763 -2.303 -1.159) 3.123 13.643 ( 0.226 0.802 -0.764) 1.130 13.675 ( 0.820 -2.123 -2.109) 3.103 14.598 ( -3.358 7.600 9.466) 12.595 14.723 ( -1.813 -3.861 7.800) 8.890 15.095 ( 1.457 4.532 -11.553) 12.496 15.124 ( -1.433 1.940 -10.433) 10.709 15.842 ( 1.246 4.861 6.503) 8.214 15.943 ( 1.744 -4.293 3.863) 6.033 16.342 ( -1.378 5.472 -2.979) 6.381 16.469 ( -1.254 -6.061 -7.430) 9.670 19.808 ( -1.538 2.893 7.820) 8.479 19.868 ( -0.409 -2.571 7.630) 8.062 20.160 ( 0.742 3.665 -2.953) 4.764 20.251 ( 0.787 -4.939 -4.990) 7.065 21.332 ( -2.210 -0.747 13.040) 13.247 21.376 ( -2.347 -5.135 11.420) 12.740 21.794 ( -0.069 -0.080 2.707) 2.709 21.847 ( 0.195 -5.080 1.437) 5.283 22.545 ( -0.546 3.636 7.066) 7.966 22.599 ( 0.087 -1.137 5.772) 5.883 23.543 ( 0.019 1.853 -0.299) 1.877 23.555 ( 0.516 0.852 -0.965) 1.387 23.959 ( 0.352 2.712 -1.199) 2.986 24.006 ( 0.164 -1.880 -2.608) 3.219 24.592 ( 1.331 4.266 -9.742) 10.718 24.622 ( 1.946 1.398 -10.351) 10.625 ======================= Grid point 124 (72/84) ======================= q-point: (-0.20 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.322 11.901 7.432) 14.221 2.038 ( 1.813 -5.949 1.861) 6.491 2.314 ( -6.674 15.022 10.194) 19.342 2.489 ( -0.414 1.963 1.881) 2.750 2.614 ( 4.194 -4.905 -0.793) 6.503 2.664 ( 2.666 -5.053 -2.265) 6.146 2.886 ( -4.759 4.231 -2.464) 6.828 2.955 ( -2.713 -2.507 -3.070) 4.803 3.076 ( 5.093 8.244 -0.657) 9.713 3.128 ( 2.984 2.361 2.083) 4.338 3.183 ( 3.489 -3.899 2.037) 5.615 3.302 ( 1.975 -10.469 -2.695) 10.989 3.457 ( -2.019 6.823 -0.432) 7.129 3.534 ( 0.671 -0.842 -2.060) 2.325 3.653 ( 2.881 10.701 9.745) 14.757 3.765 ( -0.366 -0.415 8.429) 8.447 4.018 ( 4.340 1.335 1.871) 4.911 4.097 ( 4.072 -4.070 3.637) 6.810 4.313 ( -1.569 6.961 2.154) 7.454 4.373 ( -0.423 5.402 -2.104) 5.813 4.586 ( 4.853 3.134 4.531) 7.341 4.648 ( 4.521 -1.843 9.221) 10.434 4.783 ( 0.656 2.361 0.558) 2.513 4.898 ( -0.322 -5.248 2.847) 5.979 5.013 ( -1.066 4.677 3.052) 5.685 5.078 ( -0.727 -1.039 8.146) 8.244 5.221 ( -5.584 8.007 -2.215) 10.010 5.293 ( 1.025 4.450 -4.187) 6.195 5.392 ( 0.108 -1.557 -1.667) 2.284 5.574 ( -3.724 -13.248 -0.555) 13.773 5.740 ( -2.124 7.926 -0.585) 8.227 5.853 ( -2.022 -3.140 -3.017) 4.801 6.255 ( -4.230 0.949 1.485) 4.582 6.285 ( -2.588 -1.035 1.180) 3.026 6.465 ( 0.956 1.689 -1.216) 2.290 6.530 ( -0.492 -3.126 -3.934) 5.049 6.776 ( -1.151 -0.693 0.638) 1.487 6.793 ( 0.842 -2.420 1.450) 2.944 6.913 ( -0.815 1.515 -0.851) 1.919 6.985 ( -0.185 -4.782 0.872) 4.864 7.763 ( 2.471 4.108 0.472) 4.817 7.802 ( 1.864 0.886 1.729) 2.693 8.172 ( 0.641 2.735 -1.965) 3.428 8.239 ( -2.135 -0.706 -3.483) 4.146 8.325 ( -1.675 6.020 1.117) 6.348 8.452 ( -3.711 -5.251 -1.641) 6.636 8.494 ( 4.800 -3.209 -1.330) 5.925 8.534 ( 0.065 -5.255 -1.525) 5.472 9.200 ( 2.650 1.716 2.080) 3.780 9.244 ( 1.057 -1.942 4.428) 4.950 9.475 ( 0.143 4.066 -4.760) 6.262 9.573 ( -0.678 -4.523 -5.105) 6.854 10.141 ( -0.300 4.347 -0.218) 4.362 10.233 ( -0.805 -2.730 0.580) 2.905 10.460 ( 1.431 -0.155 -5.703) 5.882 10.540 ( 1.545 -6.668 -6.221) 9.249 10.768 ( 2.039 1.327 -2.264) 3.323 10.796 ( -1.142 -1.521 -0.921) 2.113 10.937 ( -2.381 -0.770 1.443) 2.889 10.954 ( -2.267 -1.975 -6.083) 6.786 11.235 ( 3.967 5.500 5.091) 8.480 11.360 ( 4.658 -6.245 6.313) 10.028 11.892 ( 1.392 6.903 2.448) 7.456 12.044 ( -1.605 -7.413 -0.801) 7.627 12.289 ( 6.414 4.841 -3.590) 8.801 12.404 ( 7.086 -6.086 2.180) 9.591 12.617 ( -5.112 3.016 -1.659) 6.162 12.671 ( -2.616 -2.033 -1.417) 3.603 13.207 ( -2.339 -0.689 -0.175) 2.444 13.222 ( -2.334 -2.033 -0.190) 3.101 13.595 ( -3.910 0.897 -3.680) 5.444 13.627 ( -4.004 -2.185 -4.756) 6.590 14.565 ( -1.773 7.448 8.730) 11.611 14.689 ( -2.910 -4.108 6.574) 8.280 15.097 ( 2.263 5.348 -7.869) 9.780 15.130 ( 3.765 2.262 -8.081) 9.197 15.883 ( 0.266 4.205 6.324) 7.599 15.973 ( -0.651 -3.992 4.598) 6.123 16.297 ( -1.066 4.428 -4.094) 6.124 16.409 ( -1.382 -5.860 -7.380) 9.524 19.808 ( -0.787 3.533 7.842) 8.637 19.884 ( -0.446 -3.416 7.402) 8.164 20.168 ( 0.787 3.952 -2.739) 4.872 20.263 ( 1.556 -4.898 -4.561) 6.872 21.311 ( -2.868 -1.033 11.881) 12.266 21.347 ( -3.290 -4.662 10.739) 12.161 21.813 ( 0.655 -0.308 3.644) 3.715 21.857 ( 0.050 -4.319 2.287) 4.887 22.560 ( -0.340 3.996 7.227) 8.265 22.624 ( 0.316 -1.843 5.468) 5.779 23.528 ( -0.929 2.505 -1.067) 2.876 23.553 ( -0.347 0.245 -1.732) 1.783 23.963 ( 0.333 2.559 -1.454) 2.962 24.010 ( 0.850 -2.002 -2.617) 3.403 24.603 ( 2.334 4.451 -9.365) 10.628 24.638 ( 2.251 1.114 -10.046) 10.355 ======================= Grid point 140 (73/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.777 0.000 -10.884) 10.912 1.591 ( 0.777 0.000 10.884) 10.912 2.056 ( -2.396 0.000 -17.090) 17.258 2.056 ( 2.396 0.000 17.090) 17.258 2.608 ( -8.619 0.000 -12.723) 15.367 2.608 ( 8.619 0.000 12.723) 15.367 2.719 ( 3.989 0.000 -4.167) 5.768 2.719 ( -3.989 0.000 4.167) 5.768 2.899 ( 1.856 0.000 -3.545) 4.001 2.899 ( -1.856 0.000 3.545) 4.001 3.246 ( 1.870 0.000 -0.992) 2.117 3.246 ( -1.870 0.000 0.992) 2.117 3.541 ( -3.754 0.000 -0.491) 3.786 3.541 ( 3.754 0.000 0.491) 3.786 3.791 ( 6.197 0.000 -3.347) 7.043 3.791 ( -6.197 0.000 3.347) 7.043 3.964 ( -4.391 0.000 -3.497) 5.613 3.964 ( 4.391 0.000 3.497) 5.613 4.167 ( -13.086 0.000 2.443) 13.312 4.167 ( 13.086 0.000 -2.443) 13.312 4.493 ( 4.814 0.000 -6.201) 7.850 4.493 ( -4.814 0.000 6.201) 7.850 4.720 ( -0.049 0.000 -8.343) 8.343 4.720 ( 0.049 0.000 8.343) 8.343 4.817 ( -8.251 0.000 1.796) 8.445 4.817 ( 8.251 0.000 -1.796) 8.445 5.131 ( -2.003 0.000 -11.091) 11.271 5.131 ( 2.003 0.000 11.091) 11.271 5.499 ( 0.948 0.000 -1.355) 1.653 5.499 ( -0.948 0.000 1.355) 1.653 5.980 ( -1.185 0.000 -4.039) 4.210 5.980 ( 1.185 0.000 4.039) 4.210 6.276 ( 1.246 0.000 -6.346) 6.467 6.276 ( -1.246 0.000 6.346) 6.467 6.578 ( -0.722 0.000 -2.794) 2.886 6.578 ( 0.722 0.000 2.794) 2.886 6.879 ( -3.375 0.000 -0.793) 3.467 6.879 ( 3.375 0.000 0.793) 3.467 7.028 ( -1.481 0.000 -3.106) 3.441 7.028 ( 1.481 0.000 3.106) 3.441 7.554 ( 3.980 0.000 -4.377) 5.916 7.554 ( -3.980 0.000 4.377) 5.916 8.060 ( -3.925 0.000 -2.805) 4.824 8.060 ( 3.925 0.000 2.805) 4.824 8.335 ( -2.743 0.000 -0.297) 2.759 8.335 ( 2.743 0.000 0.297) 2.759 8.761 ( 4.124 0.000 -2.260) 4.702 8.761 ( -4.124 0.000 2.260) 4.702 9.208 ( 2.768 0.000 -3.768) 4.676 9.208 ( -2.768 0.000 3.768) 4.676 9.685 ( 10.236 0.000 -4.574) 11.211 9.685 ( -10.236 0.000 4.574) 11.211 10.325 ( 4.507 0.000 -2.753) 5.281 10.325 ( -4.507 0.000 2.753) 5.281 10.519 ( 5.278 0.000 -4.238) 6.769 10.519 ( -5.278 0.000 4.238) 6.769 10.865 ( -0.046 0.000 -3.761) 3.762 10.865 ( 0.046 0.000 3.761) 3.762 10.940 ( 3.880 0.000 -4.526) 5.961 10.940 ( -3.880 0.000 4.526) 5.961 11.616 ( -6.056 0.000 -5.844) 8.415 11.616 ( 6.056 0.000 5.844) 8.415 11.843 ( -7.524 0.000 -6.220) 9.762 11.843 ( 7.524 0.000 6.220) 9.762 12.312 ( -13.982 0.000 -2.381) 14.183 12.312 ( 13.982 0.000 2.381) 14.183 12.819 ( -10.074 0.000 3.167) 10.560 12.819 ( 10.074 0.000 -3.167) 10.560 13.315 ( -2.581 0.000 -4.633) 5.303 13.315 ( 2.581 0.000 4.633) 5.303 13.602 ( -2.152 0.000 -3.452) 4.068 13.602 ( 2.152 0.000 3.452) 4.068 14.368 ( 1.281 0.000 -3.133) 3.384 14.368 ( -1.281 0.000 3.133) 3.384 14.758 ( -0.836 0.000 -1.658) 1.857 14.758 ( 0.836 0.000 1.658) 1.857 15.983 ( -0.336 0.000 -5.242) 5.253 15.983 ( 0.336 0.000 5.242) 5.253 16.398 ( 1.247 0.000 -10.850) 10.922 16.398 ( -1.247 0.000 10.850) 10.922 19.801 ( -1.648 0.000 -3.878) 4.214 19.801 ( 1.648 0.000 3.878) 4.214 20.311 ( 0.771 0.000 -9.145) 9.177 20.311 ( -0.771 0.000 9.145) 9.177 21.866 ( -0.261 0.000 -6.575) 6.581 21.866 ( 0.261 0.000 6.575) 6.581 22.148 ( 1.738 0.000 -6.391) 6.623 22.148 ( -1.738 0.000 6.391) 6.623 22.527 ( 2.018 0.000 -5.232) 5.607 22.527 ( -2.018 0.000 5.232) 5.607 23.251 ( 1.181 0.000 -1.487) 1.899 23.251 ( -1.181 0.000 1.487) 1.899 23.927 ( 0.815 0.000 -8.673) 8.711 23.927 ( -0.815 0.000 8.673) 8.711 24.262 ( 2.090 0.000 -5.191) 5.596 24.262 ( -2.090 0.000 5.191) 5.596 ======================= Grid point 142 (74/84) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 10.356 0.000 -12.796) 16.462 1.701 ( 7.033 0.000 1.301) 7.153 2.048 ( 5.220 0.000 -11.159) 12.319 2.218 ( 5.946 0.000 11.160) 12.645 2.364 ( -7.910 0.000 -2.746) 8.373 2.617 ( -8.373 0.000 6.142) 10.384 2.647 ( -3.152 0.000 -0.259) 3.163 2.825 ( -2.331 0.000 -5.394) 5.877 2.856 ( -0.851 0.000 -0.059) 0.853 2.876 ( -0.349 0.000 4.097) 4.112 3.141 ( -8.079 0.000 3.943) 8.990 3.181 ( -8.170 0.000 -0.997) 8.230 3.517 ( 1.833 0.000 -4.175) 4.559 3.634 ( 3.312 0.000 0.804) 3.408 3.726 ( 1.984 0.000 6.513) 6.808 3.812 ( -4.042 0.000 -5.502) 6.828 3.914 ( -9.402 0.000 5.888) 11.093 3.928 ( 3.905 0.000 -7.471) 8.430 4.068 ( 3.265 0.000 6.434) 7.214 4.344 ( -8.982 0.000 9.243) 12.888 4.395 ( 3.897 0.000 0.777) 3.974 4.434 ( -7.589 0.000 -3.258) 8.259 4.624 ( 1.284 0.000 -7.446) 7.556 4.743 ( 1.426 0.000 0.505) 1.513 4.826 ( 4.150 0.000 -1.162) 4.310 4.957 ( 2.043 0.000 -5.177) 5.565 5.122 ( 3.300 0.000 -0.425) 3.327 5.182 ( -1.892 0.000 5.548) 5.861 5.433 ( -2.963 0.000 3.078) 4.273 5.496 ( 1.149 0.000 3.694) 3.869 6.022 ( 2.458 0.000 -3.613) 4.370 6.122 ( 6.843 0.000 0.420) 6.856 6.277 ( 2.095 0.000 -6.173) 6.519 6.311 ( 4.742 0.000 4.662) 6.650 6.571 ( 0.437 0.000 -0.275) 0.516 6.627 ( 2.718 0.000 3.075) 4.104 6.789 ( -3.844 0.000 -1.483) 4.120 6.901 ( -2.818 0.000 2.934) 4.068 6.953 ( -3.803 0.000 -4.476) 5.874 7.053 ( 1.246 0.000 -1.929) 2.296 7.434 ( -6.450 0.000 2.502) 6.918 7.525 ( -4.898 0.000 -1.441) 5.106 8.083 ( 6.485 0.000 -4.877) 8.114 8.195 ( 5.532 0.000 4.052) 6.857 8.322 ( 1.202 0.000 2.280) 2.577 8.444 ( 6.427 0.000 2.598) 6.932 8.650 ( -5.891 0.000 1.749) 6.145 8.788 ( -1.268 0.000 -1.936) 2.314 9.107 ( -5.565 0.000 2.547) 6.121 9.109 ( -9.406 0.000 0.606) 9.425 9.651 ( 5.908 0.000 -2.839) 6.555 9.935 ( 11.958 0.000 -8.019) 14.398 10.201 ( -6.776 0.000 -1.137) 6.871 10.365 ( -3.425 0.000 6.770) 7.587 10.438 ( -0.348 0.000 2.874) 2.895 10.628 ( 4.760 0.000 3.423) 5.862 10.797 ( -4.839 0.000 0.301) 4.848 10.838 ( -3.044 0.000 10.224) 10.667 10.919 ( 0.498 0.000 1.857) 1.923 11.033 ( 4.713 0.000 -3.814) 6.063 11.495 ( -2.593 0.000 -13.594) 13.839 11.698 ( -4.136 0.000 -1.513) 4.404 11.715 ( -2.845 0.000 0.332) 2.864 11.857 ( -11.082 0.000 -2.949) 11.468 12.170 ( 6.992 0.000 8.524) 11.025 12.534 ( 4.721 0.000 -1.008) 4.828 12.709 ( 2.168 0.000 3.741) 4.324 12.983 ( 5.859 0.000 -6.672) 8.879 13.234 ( -2.699 0.000 -4.626) 5.356 13.348 ( -1.096 0.000 4.004) 4.151 13.622 ( 4.566 0.000 -1.747) 4.889 13.690 ( 3.619 0.000 5.249) 6.375 14.397 ( 2.722 0.000 2.723) 3.850 14.422 ( 3.983 0.000 -3.562) 5.344 14.690 ( -4.044 0.000 -3.060) 5.071 14.729 ( -3.631 0.000 0.438) 3.657 15.956 ( -0.146 0.000 -6.403) 6.405 15.991 ( -1.116 0.000 4.372) 4.513 16.407 ( 2.589 0.000 -10.465) 10.781 16.418 ( -0.299 0.000 10.942) 10.946 19.758 ( -0.828 0.000 -3.141) 3.248 19.827 ( -0.712 0.000 3.542) 3.612 20.328 ( 3.045 0.000 -8.361) 8.899 20.352 ( 0.821 0.000 12.900) 12.926 21.822 ( -1.275 0.000 -7.709) 7.814 21.867 ( -2.020 0.000 6.148) 6.472 22.107 ( -2.690 0.000 4.046) 4.858 22.135 ( -0.783 0.000 -5.182) 5.241 22.540 ( 1.182 0.000 6.186) 6.298 22.578 ( 3.697 0.000 -8.053) 8.861 23.232 ( -0.773 0.000 2.010) 2.153 23.264 ( 0.459 0.000 -2.291) 2.336 23.916 ( 0.783 0.000 -8.825) 8.860 23.930 ( -1.467 0.000 8.579) 8.703 24.227 ( -2.117 0.000 4.754) 5.204 24.271 ( 0.122 0.000 -4.933) 4.934 ======================= Grid point 143 (75/84) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 10.630 0.000 0.453) 10.640 1.937 ( 15.148 0.000 -9.021) 17.631 2.142 ( 4.864 0.000 -6.873) 8.420 2.213 ( 0.942 0.000 -2.758) 2.914 2.286 ( -9.813 0.000 6.720) 11.893 2.495 ( -15.239 0.000 -2.881) 15.509 2.556 ( 3.734 0.000 18.531) 18.904 2.672 ( -2.675 0.000 -4.721) 5.427 2.829 ( -3.113 0.000 -2.275) 3.856 2.865 ( 0.378 0.000 -5.747) 5.760 2.954 ( -7.814 0.000 8.710) 11.702 2.992 ( -5.385 0.000 -5.391) 7.620 3.579 ( 4.935 0.000 -5.608) 7.470 3.665 ( -2.233 0.000 4.572) 5.088 3.705 ( -2.032 0.000 -5.423) 5.791 3.720 ( -3.492 0.000 4.543) 5.730 4.004 ( 10.770 0.000 13.539) 17.300 4.012 ( 7.005 0.000 -15.144) 16.686 4.112 ( -3.884 0.000 13.054) 13.619 4.218 ( -2.518 0.000 6.883) 7.330 4.250 ( -7.429 0.000 -7.126) 10.294 4.298 ( -6.859 0.000 -5.270) 8.650 4.773 ( 7.001 0.000 4.319) 8.226 4.797 ( 3.728 0.000 -2.979) 4.772 4.879 ( 0.441 0.000 -0.968) 1.063 4.925 ( -2.651 0.000 -4.256) 5.014 5.118 ( -1.962 0.000 -1.366) 2.391 5.131 ( -2.656 0.000 3.451) 4.355 5.481 ( 4.672 0.000 3.219) 5.674 5.544 ( 0.136 0.000 2.259) 2.263 6.025 ( 0.170 0.000 1.871) 1.878 6.095 ( -3.765 0.000 -9.608) 10.319 6.441 ( 9.247 0.000 5.099) 10.560 6.494 ( 8.332 0.000 3.549) 9.056 6.590 ( 0.646 0.000 -0.987) 1.179 6.629 ( -4.860 0.000 -4.194) 6.420 6.726 ( -0.926 0.000 -1.855) 2.073 6.786 ( -6.852 0.000 1.995) 7.137 6.929 ( 4.272 0.000 0.726) 4.333 7.044 ( -3.048 0.000 -1.355) 3.336 7.345 ( -0.639 0.000 -0.983) 1.172 7.403 ( -5.233 0.000 1.136) 5.354 8.226 ( 6.733 0.000 -6.554) 9.396 8.282 ( 0.335 0.000 5.808) 5.817 8.393 ( 4.235 0.000 3.398) 5.430 8.509 ( -4.655 0.000 -2.183) 5.142 8.607 ( 4.231 0.000 4.648) 6.285 8.712 ( -4.257 0.000 -2.517) 4.945 8.963 ( -2.184 0.000 0.491) 2.239 9.004 ( -4.293 0.000 0.559) 4.329 9.817 ( 9.109 0.000 -3.371) 9.713 10.000 ( -7.618 0.000 1.904) 7.852 10.157 ( 7.811 0.000 -14.969) 16.884 10.268 ( -7.061 0.000 16.425) 17.879 10.512 ( 5.671 0.000 -3.557) 6.694 10.640 ( -6.641 0.000 6.602) 9.365 10.775 ( 4.111 0.000 -1.386) 4.339 10.822 ( -1.710 0.000 9.600) 9.752 10.962 ( 3.030 0.000 2.135) 3.707 11.061 ( -2.097 0.000 -7.212) 7.511 11.396 ( -2.761 0.000 -6.410) 6.980 11.421 ( -8.235 0.000 -5.635) 9.978 11.720 ( 2.595 0.000 -2.486) 3.593 11.773 ( -2.763 0.000 4.693) 5.446 12.329 ( 5.782 0.000 6.163) 8.451 12.487 ( -6.161 0.000 -5.033) 7.956 12.907 ( 9.955 0.000 9.260) 13.596 13.065 ( 0.593 0.000 -8.442) 8.463 13.193 ( 2.219 0.000 -3.011) 3.741 13.291 ( -4.895 0.000 2.996) 5.739 13.729 ( 4.478 0.000 -2.817) 5.290 13.761 ( 0.680 0.000 4.663) 4.712 14.470 ( 2.228 0.000 4.154) 4.714 14.487 ( 2.273 0.000 -3.969) 4.574 14.607 ( -1.594 0.000 -3.754) 4.079 14.632 ( -4.371 0.000 1.333) 4.570 15.947 ( 1.240 0.000 -6.268) 6.390 15.968 ( -2.080 0.000 5.051) 5.462 16.433 ( 2.465 0.000 -10.337) 10.627 16.440 ( -1.098 0.000 10.615) 10.671 19.757 ( 1.563 0.000 -2.665) 3.089 19.797 ( -2.520 0.000 2.806) 3.772 20.375 ( 3.600 0.000 -10.906) 11.485 20.395 ( -1.410 0.000 14.023) 14.094 21.791 ( 1.324 0.000 -8.257) 8.362 21.824 ( -3.338 0.000 6.883) 7.650 22.083 ( -0.424 0.000 2.786) 2.818 22.100 ( -0.904 0.000 -3.505) 3.620 22.590 ( 0.725 0.000 8.654) 8.685 22.611 ( 1.661 0.000 -9.652) 9.794 23.235 ( 0.242 0.000 3.150) 3.160 23.255 ( -0.401 0.000 -3.303) 3.327 23.910 ( 1.340 0.000 -8.844) 8.945 23.919 ( -1.906 0.000 8.705) 8.912 24.217 ( -0.049 0.000 4.329) 4.329 24.244 ( -0.960 0.000 -4.421) 4.524 ======================= Grid point 146 (76/84) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -1.515 6.770 -9.929) 12.112 1.666 ( 1.515 6.770 9.929) 12.112 2.079 ( -1.249 3.322 -18.351) 18.691 2.079 ( 1.249 3.322 18.351) 18.691 2.677 ( 2.353 4.067 -2.065) 5.132 2.677 ( -2.353 4.067 2.065) 5.132 2.855 ( -6.086 5.119 -0.460) 7.966 2.855 ( 6.086 5.119 0.460) 7.966 2.918 ( -3.444 8.553 -8.961) 12.857 2.918 ( 3.444 8.553 8.961) 12.857 3.232 ( 3.823 -1.144 -4.672) 6.144 3.232 ( -3.823 -1.144 4.672) 6.144 3.511 ( -2.373 -2.937 -1.454) 4.046 3.511 ( 2.373 -2.937 1.454) 4.046 3.782 ( 4.285 -0.342 -4.227) 6.029 3.782 ( -4.285 -0.342 4.227) 6.029 3.953 ( 0.903 0.840 -6.377) 6.496 3.953 ( -0.903 0.840 6.377) 6.496 4.225 ( -2.798 2.647 -2.435) 4.557 4.225 ( 2.798 2.647 2.435) 4.557 4.520 ( -1.607 4.626 -5.465) 7.338 4.520 ( 1.607 4.626 5.465) 7.338 4.741 ( -0.254 1.615 -6.517) 6.719 4.741 ( 0.254 1.615 6.517) 6.719 4.922 ( -11.047 8.499 0.190) 13.939 4.922 ( 11.047 8.499 -0.190) 13.939 5.109 ( -2.066 -1.286 -8.819) 9.149 5.109 ( 2.066 -1.286 8.819) 9.149 5.492 ( -1.314 -0.825 -2.975) 3.355 5.492 ( 1.314 -0.825 2.975) 3.355 5.943 ( -1.193 -3.545 -3.957) 5.445 5.943 ( 1.193 -3.545 3.957) 5.445 6.252 ( -1.073 -1.878 -5.498) 5.908 6.252 ( 1.073 -1.878 5.498) 5.908 6.554 ( -0.208 -2.010 -1.174) 2.338 6.554 ( 0.208 -2.010 1.174) 2.338 6.850 ( -4.094 -2.113 -1.220) 4.766 6.850 ( 4.094 -2.113 1.220) 4.766 7.057 ( -1.808 0.973 -3.467) 4.030 7.057 ( 1.808 0.973 3.467) 4.030 7.605 ( 3.134 4.999 -4.408) 7.365 7.605 ( -3.134 4.999 4.408) 7.365 8.067 ( -2.689 0.896 -2.933) 4.079 8.067 ( 2.689 0.896 2.933) 4.079 8.320 ( -1.415 -1.288 -2.899) 3.473 8.320 ( 1.415 -1.288 2.899) 3.473 8.752 ( 3.033 -1.354 -2.792) 4.339 8.752 ( -3.033 -1.354 2.792) 4.339 9.219 ( 2.150 1.138 -2.700) 3.635 9.219 ( -2.150 1.138 2.700) 3.635 9.640 ( 5.572 -4.011 -4.963) 8.472 9.640 ( -5.572 -4.011 4.963) 8.472 10.276 ( 2.423 -3.730 -4.289) 6.179 10.276 ( -2.423 -3.730 4.289) 6.179 10.518 ( 1.438 -0.527 -2.271) 2.739 10.518 ( -1.438 -0.527 2.271) 2.739 10.845 ( 0.087 -1.756 -3.540) 3.952 10.845 ( -0.087 -1.756 3.540) 3.952 10.925 ( 2.273 -1.552 -3.023) 4.088 10.925 ( -2.273 -1.552 3.023) 4.088 11.632 ( -8.187 1.087 -7.182) 10.945 11.632 ( 8.187 1.087 7.182) 10.945 11.850 ( -7.910 0.289 -7.609) 10.980 11.850 ( 7.910 0.289 7.609) 10.980 12.298 ( -12.397 -0.926 -2.146) 12.616 12.298 ( 12.397 -0.926 2.146) 12.616 12.770 ( -5.380 -3.220 1.111) 6.367 12.770 ( 5.380 -3.220 -1.111) 6.367 13.307 ( -2.096 -1.650 -2.645) 3.757 13.307 ( 2.096 -1.650 2.645) 3.757 13.563 ( -1.672 -2.934 -3.223) 4.668 13.563 ( 1.672 -2.934 3.223) 4.668 14.443 ( -1.597 6.275 -6.603) 9.248 14.443 ( 1.597 6.275 6.603) 9.248 14.821 ( 2.093 5.548 -4.996) 7.754 14.821 ( -2.093 5.548 4.996) 7.754 15.980 ( -0.414 -0.206 -5.401) 5.421 15.980 ( 0.414 -0.206 5.401) 5.421 16.380 ( 1.426 -1.700 -10.489) 10.721 16.380 ( -1.426 -1.700 10.489) 10.721 19.818 ( -1.336 1.645 -4.182) 4.688 19.818 ( 1.336 1.645 4.182) 4.688 20.298 ( 0.785 -1.390 -8.823) 8.967 20.298 ( -0.785 -1.390 8.823) 8.967 21.740 ( 0.746 -9.656 -6.711) 11.782 21.740 ( -0.746 -9.656 6.711) 11.782 22.118 ( -1.489 -4.602 -1.357) 5.024 22.118 ( 1.489 -4.602 1.357) 5.024 22.530 ( 1.189 2.080 -3.382) 4.145 22.530 ( -1.189 2.080 3.382) 4.145 23.331 ( -0.338 5.913 -0.847) 5.983 23.331 ( 0.338 5.913 0.847) 5.983 23.939 ( 0.889 0.932 -7.810) 7.916 23.939 ( -0.889 0.932 7.810) 7.916 24.321 ( 0.681 5.165 -4.336) 6.778 24.321 ( -0.681 5.165 4.336) 6.778 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 5.681 3.714 -11.476) 13.333 1.809 ( 8.989 7.648 2.299) 12.024 2.070 ( 4.114 4.327 -11.995) 13.399 2.229 ( 6.245 0.959 17.663) 18.759 2.568 ( -8.796 12.572 0.332) 15.347 2.637 ( -6.356 7.132 -2.525) 9.881 2.650 ( -7.169 -2.061 -1.936) 7.706 2.814 ( 0.200 2.383 -2.051) 3.150 2.910 ( -2.703 2.216 -4.476) 5.679 2.993 ( -1.996 7.628 5.837) 9.811 3.113 ( -7.628 0.830 5.179) 9.257 3.221 ( -4.799 1.870 -1.130) 5.273 3.504 ( 2.938 -2.951 -4.584) 6.194 3.578 ( 1.959 -2.133 2.222) 3.650 3.766 ( -1.317 -4.083 -1.538) 4.557 3.842 ( 4.990 7.069 4.622) 9.810 3.923 ( -0.688 2.354 -1.881) 3.091 4.010 ( -3.411 3.567 2.885) 5.717 4.035 ( -0.916 1.437 2.244) 2.818 4.269 ( -2.949 -0.755 3.289) 4.482 4.411 ( -7.670 -1.081 -4.039) 8.736 4.596 ( -3.380 11.009 1.697) 11.641 4.671 ( 1.922 4.378 -6.533) 8.096 4.769 ( 0.807 -0.887 2.048) 2.373 4.791 ( 1.914 2.941 -0.516) 3.546 5.063 ( -0.134 4.023 -5.916) 7.155 5.117 ( 4.785 1.335 2.198) 5.432 5.186 ( 1.432 2.051 4.955) 5.550 5.448 ( -1.665 -0.035 1.159) 2.030 5.476 ( -1.358 -0.202 1.883) 2.330 5.973 ( 3.502 -4.768 -3.555) 6.902 6.073 ( 5.375 -4.855 0.616) 7.270 6.223 ( 2.141 -2.301 -1.619) 3.535 6.337 ( 5.244 -0.003 1.050) 5.348 6.555 ( 0.094 -1.677 1.383) 2.176 6.587 ( 2.831 -2.540 2.196) 4.392 6.759 ( -3.407 -2.382 -0.517) 4.189 6.919 ( -5.622 0.671 0.445) 5.679 6.933 ( 0.862 -1.633 -1.071) 2.135 7.102 ( -0.079 2.713 -2.930) 3.994 7.499 ( -5.981 6.083 2.951) 9.027 7.563 ( -4.911 3.833 -1.943) 6.526 8.106 ( 6.445 2.293 -4.511) 8.195 8.175 ( 4.560 -1.307 3.804) 6.081 8.313 ( 1.609 -1.189 0.845) 2.172 8.429 ( 6.236 -1.241 3.941) 7.481 8.643 ( -5.911 -1.245 2.372) 6.490 8.769 ( -1.659 -1.928 -2.169) 3.343 9.114 ( -7.584 1.092 2.496) 8.059 9.153 ( -5.274 3.542 -0.281) 6.359 9.624 ( 5.471 -2.555 -1.724) 6.280 9.848 ( 10.459 -7.637 -7.345) 14.889 10.144 ( -6.023 -4.082 1.733) 7.479 10.357 ( 0.330 -1.270 -0.662) 1.470 10.433 ( -3.394 -0.197 3.926) 5.194 10.609 ( 3.882 -1.906 4.228) 6.048 10.756 ( -4.705 -3.030 2.301) 6.050 10.824 ( -1.938 -1.362 8.764) 9.078 10.919 ( 1.935 -0.876 -1.572) 2.642 11.057 ( 4.243 2.470 -1.329) 5.087 11.418 ( -5.640 -6.101 -14.824) 16.994 11.677 ( -6.975 -1.839 -4.055) 8.275 11.728 ( -2.029 1.769 0.249) 2.703 11.938 ( -8.408 5.594 1.243) 10.175 12.160 ( 6.827 -1.479 7.902) 10.547 12.518 ( 7.397 -0.399 0.786) 7.449 12.697 ( -0.321 -1.481 0.563) 1.616 12.864 ( 3.649 -8.643 -4.310) 10.325 13.236 ( -2.230 -0.064 -0.572) 2.303 13.360 ( 0.972 -1.024 0.226) 1.430 13.590 ( 4.327 -2.283 -0.931) 4.980 13.651 ( 3.911 -2.812 4.582) 6.648 14.426 ( 2.020 4.742 -6.666) 8.426 14.540 ( 4.847 7.647 5.470) 10.578 14.719 ( -6.311 4.130 2.284) 7.880 14.835 ( -0.661 7.706 -4.971) 9.194 15.943 ( -0.853 -0.815 -5.394) 5.521 15.985 ( -1.581 -0.634 4.427) 4.743 16.387 ( 1.458 -1.666 -0.673) 2.314 16.413 ( 1.603 -0.908 0.650) 1.954 19.781 ( -0.496 2.244 -3.517) 4.201 19.845 ( -0.480 1.610 3.851) 4.202 20.282 ( 0.623 -3.059 -0.308) 3.137 20.344 ( 1.315 -1.918 3.277) 4.018 21.691 ( -1.411 -9.313 -1.361) 9.518 21.766 ( 0.063 -7.803 -0.801) 7.844 22.089 ( -0.527 -2.704 -0.793) 2.867 22.146 ( 0.299 -4.722 0.662) 4.778 22.494 ( -1.009 1.164 1.505) 2.153 22.558 ( 0.681 -0.423 -2.209) 2.350 23.317 ( -0.027 6.276 1.150) 6.381 23.358 ( 1.028 6.570 -0.578) 6.675 23.928 ( 0.190 0.966 -4.962) 5.059 23.940 ( -0.992 0.840 4.558) 4.740 24.286 ( -1.458 5.296 0.164) 5.495 24.329 ( -0.496 5.030 -0.827) 5.121 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 14.400 -0.866 -9.313) 17.171 2.025 ( 8.056 5.248 1.692) 9.762 2.113 ( 0.019 3.086 -5.770) 6.543 2.213 ( -15.381 -2.866 6.108) 16.796 2.487 ( 6.793 8.548 7.758) 13.394 2.543 ( 2.096 8.853 4.485) 10.144 2.617 ( 0.613 4.865 -6.891) 8.458 2.723 ( -9.872 5.350 -3.240) 11.686 2.852 ( -0.203 0.219 -1.694) 1.720 2.887 ( -7.435 5.706 4.781) 10.521 2.979 ( -1.611 3.363 1.221) 3.923 3.068 ( -7.080 4.886 -1.967) 8.825 3.589 ( 4.661 -5.435 -2.750) 7.670 3.628 ( 2.425 -0.709 2.074) 3.268 3.682 ( -2.568 -1.077 -3.928) 4.815 3.767 ( -7.704 5.014 1.131) 9.261 4.036 ( 6.945 3.017 2.644) 8.021 4.064 ( 5.281 2.459 -9.855) 11.448 4.080 ( 0.710 -1.732 9.955) 10.129 4.184 ( -6.924 3.687 8.556) 11.608 4.277 ( 0.573 0.941 -1.183) 1.617 4.419 ( -7.925 6.275 -5.391) 11.457 4.786 ( 1.452 -0.974 0.508) 1.820 4.796 ( 1.591 3.572 -0.684) 3.970 4.855 ( 5.614 1.778 1.848) 6.172 4.995 ( -4.799 2.969 -4.754) 7.379 5.170 ( 0.653 3.705 2.532) 4.535 5.193 ( -1.045 6.374 0.531) 6.481 5.454 ( 2.305 -1.914 2.871) 4.149 5.494 ( 0.253 -4.093 -0.390) 4.119 5.998 ( 0.971 -2.772 -0.745) 3.030 6.058 ( -3.312 -3.605 -4.775) 6.839 6.377 ( 8.268 -3.708 3.951) 9.885 6.485 ( 3.749 -4.657 -1.281) 6.114 6.562 ( 2.361 1.599 0.664) 2.928 6.652 ( -0.450 -2.197 1.893) 2.934 6.715 ( -0.483 -0.490 1.058) 1.262 6.765 ( -5.168 0.868 -2.733) 5.910 6.967 ( 1.920 1.261 2.321) 3.266 7.051 ( -3.346 0.553 -3.248) 4.696 7.413 ( -1.454 6.183 0.335) 6.360 7.450 ( -4.224 4.593 0.063) 6.240 8.236 ( 5.358 1.024 -5.689) 7.882 8.261 ( 1.459 -1.405 4.973) 5.369 8.384 ( 4.186 -1.643 2.213) 5.012 8.495 ( -4.461 -1.842 -1.045) 4.938 8.597 ( 3.463 -1.048 5.467) 6.556 8.692 ( -3.859 -1.824 -3.311) 5.402 8.998 ( -1.734 3.159 2.366) 4.311 9.047 ( -4.230 3.998 -1.496) 6.010 9.783 ( 8.559 -3.864 -2.172) 9.639 9.938 ( -4.202 -6.964 0.292) 8.139 10.105 ( 6.067 -2.849 -9.066) 11.275 10.244 ( -8.480 -1.047 10.512) 13.546 10.481 ( 5.369 -2.626 -4.160) 7.282 10.602 ( -6.330 -3.410 6.924) 9.982 10.760 ( 4.237 -1.513 0.063) 4.500 10.827 ( -1.600 -0.088 8.413) 8.564 10.956 ( 2.043 -0.406 -0.445) 2.130 11.036 ( -3.813 -1.924 -6.971) 8.175 11.345 ( 1.639 -2.629 -4.512) 5.473 11.448 ( -8.170 0.456 -5.198) 9.694 11.728 ( 3.014 1.466 -2.518) 4.192 11.814 ( -5.130 3.095 4.465) 7.472 12.327 ( 6.369 -0.670 6.510) 9.132 12.498 ( -6.786 0.467 -5.637) 8.835 12.818 ( 7.828 -6.727 5.646) 11.765 12.925 ( 0.527 -9.772 -4.075) 10.601 13.239 ( 3.084 2.545 1.483) 4.264 13.334 ( -3.322 1.055 -1.556) 3.817 13.687 ( 3.926 -2.728 -1.321) 4.960 13.721 ( 0.547 -2.898 3.346) 4.460 14.476 ( 4.255 3.965 -5.916) 8.296 14.574 ( -5.893 4.555 3.690) 8.312 14.676 ( 4.217 8.212 5.679) 10.838 14.775 ( -2.947 9.272 -5.993) 11.427 15.925 ( 1.032 -1.516 -5.509) 5.806 15.951 ( -2.512 -1.416 4.891) 5.677 16.422 ( 1.542 -0.927 -0.450) 1.855 16.437 ( 0.214 -0.547 0.454) 0.743 19.784 ( 1.614 2.443 -3.090) 4.257 19.821 ( -2.345 2.153 3.179) 4.499 20.318 ( 2.331 -4.476 -0.716) 5.097 20.356 ( -1.207 -3.867 2.698) 4.867 21.689 ( 1.673 -7.210 -1.317) 7.517 21.737 ( -2.285 -6.502 -0.049) 6.892 22.095 ( 1.120 -1.659 0.075) 2.003 22.129 ( -1.584 -2.342 -0.288) 2.842 22.505 ( 1.324 -2.364 1.848) 3.279 22.544 ( -1.202 -2.794 -2.192) 3.749 23.336 ( 1.028 7.156 2.411) 7.621 23.362 ( -0.379 7.331 -2.033) 7.617 23.920 ( 0.593 0.909 -4.473) 4.603 23.927 ( -1.219 0.833 4.154) 4.409 24.275 ( 0.488 5.170 0.237) 5.198 24.302 ( -1.520 5.017 -0.576) 5.274 ======================= Grid point 152 (79/84) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -3.019 9.878 -7.316) 12.658 1.849 ( 3.019 9.878 7.316) 12.658 2.211 ( 1.843 8.695 -16.167) 18.449 2.211 ( -1.843 8.695 16.167) 18.449 2.720 ( -3.838 -1.653 -2.621) 4.933 2.720 ( 3.838 -1.653 2.621) 4.933 2.862 ( -0.589 0.819 -1.668) 1.949 2.862 ( 0.589 0.819 1.668) 1.949 3.140 ( -6.203 1.459 -2.413) 6.814 3.140 ( 6.203 1.459 2.413) 6.814 3.254 ( 2.080 6.370 -4.116) 7.864 3.254 ( -2.080 6.370 4.116) 7.864 3.437 ( -0.069 -2.984 -4.506) 5.405 3.437 ( 0.069 -2.984 4.506) 5.405 3.824 ( -2.427 4.998 -4.685) 7.268 3.824 ( 2.427 4.998 4.685) 7.268 4.019 ( 1.767 4.892 -3.957) 6.536 4.019 ( -1.767 4.892 3.957) 6.536 4.253 ( -3.171 1.623 -2.464) 4.331 4.253 ( 3.171 1.623 2.464) 4.331 4.681 ( -7.027 8.195 -3.215) 11.264 4.681 ( 7.027 8.195 3.215) 11.264 4.782 ( -0.770 2.726 -6.386) 6.986 4.782 ( 0.770 2.726 6.386) 6.986 5.083 ( 0.769 3.711 -3.463) 5.134 5.083 ( -0.769 3.711 3.463) 5.134 5.129 ( -8.135 5.134 0.378) 9.627 5.129 ( 8.135 5.134 -0.378) 9.627 5.458 ( -4.153 -2.538 -2.985) 5.709 5.458 ( 4.153 -2.538 2.985) 5.709 5.831 ( 0.251 -6.569 -4.155) 7.776 5.831 ( -0.251 -6.569 4.155) 7.776 6.225 ( -2.234 -0.164 -1.426) 2.656 6.225 ( 2.234 -0.164 1.426) 2.656 6.509 ( -2.267 -2.174 -1.391) 3.435 6.509 ( 2.267 -2.174 1.391) 3.435 6.809 ( -4.367 -1.380 -0.716) 4.636 6.809 ( 4.367 -1.380 0.716) 4.636 7.023 ( -2.592 -4.191 -2.843) 5.689 7.023 ( 2.592 -4.191 2.843) 5.689 7.744 ( 0.346 7.311 -3.193) 7.985 7.744 ( -0.346 7.311 3.193) 7.985 8.096 ( -2.241 1.138 0.186) 2.520 8.096 ( 2.241 1.138 -0.186) 2.520 8.294 ( -1.704 -0.359 -3.014) 3.481 8.294 ( 1.704 -0.359 3.014) 3.481 8.686 ( 3.785 -4.956 -3.370) 7.088 8.686 ( -3.785 -4.956 3.370) 7.088 9.259 ( -1.868 2.638 0.145) 3.236 9.259 ( 1.868 2.638 -0.145) 3.236 9.537 ( 1.808 -5.342 -6.382) 8.517 9.537 ( -1.808 -5.342 6.382) 8.517 10.207 ( 0.678 -2.275 -4.792) 5.347 10.207 ( -0.678 -2.275 4.792) 5.347 10.490 ( -1.525 -2.059 -2.286) 3.434 10.490 ( 1.525 -2.059 2.286) 3.434 10.806 ( 1.440 -1.604 -4.018) 4.559 10.806 ( -1.440 -1.604 4.018) 4.559 10.875 ( 5.276 -3.005 -2.365) 6.516 10.875 ( -5.276 -3.005 2.365) 6.516 11.648 ( -8.917 0.388 -7.718) 11.800 11.648 ( 8.917 0.388 7.718) 11.800 11.836 ( -6.079 -1.749 -7.430) 9.758 11.836 ( 6.079 -1.749 7.430) 9.758 12.301 ( -10.513 1.623 -0.981) 10.683 12.301 ( 10.513 1.623 0.981) 10.683 12.720 ( -0.388 -1.775 -1.153) 2.152 12.720 ( 0.388 -1.775 1.153) 2.152 13.243 ( -1.184 -3.604 -0.769) 3.871 13.243 ( 1.184 -3.604 0.769) 3.871 13.506 ( -1.279 -2.329 -1.978) 3.312 13.506 ( 1.279 -2.329 1.978) 3.312 14.585 ( -1.869 6.362 -6.882) 9.556 14.585 ( 1.869 6.362 6.882) 9.556 14.963 ( 2.656 7.207 -5.601) 9.506 14.963 ( -2.656 7.207 5.601) 9.506 15.980 ( -0.150 0.323 -5.264) 5.276 15.980 ( 0.150 0.323 5.264) 5.276 16.327 ( 1.627 -3.223 -8.832) 9.541 16.327 ( -1.627 -3.223 8.832) 9.541 19.869 ( -0.564 3.104 -4.723) 5.680 19.869 ( 0.564 3.104 4.723) 5.680 20.249 ( 1.082 -3.200 -7.763) 8.466 20.249 ( -1.082 -3.200 7.763) 8.466 21.540 ( 0.074 -8.199 -2.767) 8.653 21.540 ( -0.074 -8.199 2.767) 8.653 21.981 ( 0.232 -6.901 -2.665) 7.402 21.981 ( -0.232 -6.901 2.665) 7.402 22.609 ( 0.623 4.349 -5.602) 7.119 22.609 ( -0.623 4.349 5.602) 7.119 23.442 ( -0.559 4.178 -1.671) 4.534 23.442 ( 0.559 4.178 1.671) 4.534 23.959 ( 0.805 0.941 -5.288) 5.432 23.959 ( -0.805 0.941 5.288) 5.432 24.445 ( -0.335 5.776 -2.620) 6.351 24.445 ( 0.335 5.776 2.620) 6.351 ======================= Grid point 154 (80/84) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.828 8.088 -9.631) 12.709 1.973 ( 5.682 7.303 4.492) 10.285 2.217 ( 1.492 7.169 -1.143) 7.412 2.306 ( 5.767 7.931 4.785) 10.911 2.583 ( -9.978 -2.441 3.716) 10.924 2.693 ( -6.278 1.237 -0.780) 6.446 2.835 ( -1.460 3.722 5.558) 6.847 2.839 ( 1.383 1.446 -2.382) 3.111 3.056 ( -1.230 3.465 -4.816) 6.059 3.109 ( -8.745 10.983 1.361) 14.105 3.220 ( -2.087 4.681 -3.786) 6.372 3.277 ( -0.331 4.462 3.982) 5.990 3.382 ( -1.262 -4.639 -0.270) 4.815 3.492 ( 0.276 -8.484 0.947) 8.542 3.717 ( -0.696 1.923 -3.195) 3.794 3.928 ( 2.308 1.663 -7.127) 7.674 4.016 ( -1.340 4.442 10.340) 11.333 4.054 ( 1.195 3.332 3.726) 5.139 4.168 ( -0.561 5.695 -0.066) 5.723 4.297 ( -0.870 2.784 -0.262) 2.928 4.444 ( -10.911 5.530 -3.907) 12.841 4.745 ( -5.439 2.224 -2.095) 6.239 4.791 ( -1.460 6.855 -2.869) 7.573 4.813 ( 2.545 5.978 3.372) 7.321 4.923 ( 2.948 8.491 -0.316) 8.994 5.080 ( 1.223 0.053 -2.846) 3.098 5.159 ( 1.086 2.819 -0.706) 3.103 5.282 ( 5.020 3.190 0.611) 5.979 5.398 ( -1.734 -2.978 -1.311) 3.687 5.553 ( -1.586 6.479 2.620) 7.166 5.824 ( 5.882 -9.662 -0.975) 11.353 5.924 ( 2.710 -8.137 -0.066) 8.577 6.217 ( 2.243 1.813 0.526) 2.932 6.311 ( 4.919 -1.558 0.344) 5.172 6.482 ( 0.889 -3.776 1.266) 4.081 6.559 ( 1.358 -2.305 0.854) 2.809 6.731 ( -1.839 0.853 1.733) 2.667 6.876 ( -3.439 -3.253 -1.687) 5.025 6.907 ( 0.243 -2.116 2.273) 3.115 7.105 ( 1.239 -2.789 -2.743) 4.104 7.654 ( -5.209 7.150 0.787) 8.881 7.688 ( -4.988 8.002 0.175) 9.431 8.131 ( 3.991 -1.331 2.950) 5.138 8.193 ( 5.292 2.824 -3.995) 7.207 8.280 ( 0.841 -0.150 -0.435) 0.958 8.397 ( 5.666 -1.764 6.275) 8.637 8.575 ( -6.132 -5.106 2.618) 8.398 8.705 ( -1.260 -4.317 -3.496) 5.697 9.151 ( -5.982 2.566 2.282) 6.898 9.244 ( -2.912 4.661 -1.362) 5.662 9.546 ( 3.523 -4.648 -1.549) 6.034 9.653 ( 6.239 -10.134 -2.951) 12.261 10.089 ( -3.435 -0.161 0.791) 3.529 10.320 ( 3.641 -2.005 -3.566) 5.477 10.422 ( -4.263 -1.175 1.074) 4.551 10.540 ( 0.761 -4.521 5.031) 6.807 10.703 ( -3.967 -1.471 3.244) 5.331 10.783 ( -0.714 -2.432 6.527) 7.002 10.895 ( 4.341 -0.363 -2.163) 4.864 11.104 ( 10.399 -0.042 -1.937) 10.578 11.309 ( -14.376 -2.044 -13.562) 19.869 11.617 ( -7.478 -4.228 -6.966) 11.059 11.781 ( -0.898 3.123 3.045) 4.453 12.062 ( -9.958 5.115 2.059) 11.383 12.090 ( 9.419 -3.746 8.615) 13.303 12.519 ( 8.899 -1.240 2.351) 9.288 12.641 ( -5.528 -3.065 -3.903) 7.428 12.727 ( 1.000 -3.346 -2.085) 4.067 13.217 ( 0.215 -1.345 1.121) 1.764 13.296 ( 2.110 -4.034 -0.917) 4.644 13.552 ( 4.647 -1.202 0.835) 4.872 13.594 ( 4.317 -2.554 3.783) 6.282 14.563 ( 1.731 7.146 -7.036) 10.177 14.684 ( 4.901 5.225 6.359) 9.579 14.853 ( -6.261 8.042 2.283) 10.445 14.997 ( 0.541 6.778 -6.293) 9.265 15.940 ( -1.558 0.735 -3.859) 4.226 15.970 ( -2.480 -0.560 5.362) 5.935 16.341 ( 1.699 -2.575 2.956) 4.272 16.374 ( 3.038 -2.726 -4.009) 5.721 19.846 ( 0.028 3.754 -4.166) 5.609 19.890 ( -0.324 2.546 4.359) 5.058 20.217 ( -1.116 -3.042 1.232) 3.467 20.270 ( 0.224 -4.619 -0.856) 4.703 21.516 ( 0.196 -6.590 0.458) 6.609 21.590 ( 1.932 -8.111 -1.164) 8.418 21.974 ( 0.022 -7.649 -3.154) 8.274 21.980 ( -0.724 -7.464 3.332) 8.206 22.586 ( -1.146 5.077 -1.994) 5.574 22.601 ( -1.413 3.753 1.959) 4.463 23.437 ( 0.659 4.684 0.341) 4.742 23.472 ( 1.180 3.885 1.227) 4.242 23.950 ( -0.601 1.079 1.034) 1.611 23.961 ( 0.010 1.017 -1.569) 1.870 24.417 ( -0.981 6.235 -2.412) 6.757 24.448 ( -0.944 5.397 1.477) 5.675 ======================= Grid point 155 (81/84) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 10.328 4.225 -9.937) 14.942 2.100 ( 1.280 0.406 3.562) 3.807 2.183 ( -6.563 4.048 6.065) 9.810 2.268 ( -6.740 6.118 -2.416) 9.418 2.527 ( 5.346 3.689 9.315) 11.356 2.636 ( -1.449 -0.311 -7.208) 7.359 2.799 ( 2.757 7.441 3.764) 8.783 2.903 ( -0.004 4.190 -0.330) 4.203 2.952 ( -3.197 10.240 -4.164) 11.507 3.057 ( 2.066 8.278 -0.276) 8.537 3.065 ( -9.896 7.092 5.144) 13.217 3.174 ( -5.124 5.052 -2.169) 7.515 3.434 ( 2.668 -7.639 -1.886) 8.309 3.470 ( -1.650 -10.234 2.266) 10.611 3.752 ( 3.642 3.284 -1.775) 5.216 3.853 ( -5.139 2.266 -3.938) 6.859 4.044 ( 1.725 0.472 2.417) 3.007 4.084 ( -1.808 1.090 8.054) 8.326 4.175 ( 2.312 4.463 -4.233) 6.571 4.254 ( -3.404 0.361 -3.983) 5.252 4.353 ( 3.915 8.127 5.070) 10.348 4.520 ( -9.178 5.339 -4.298) 11.455 4.838 ( 3.983 4.671 -0.030) 6.139 4.925 ( 0.996 6.309 -0.110) 6.388 4.945 ( 1.292 7.558 3.626) 8.481 5.053 ( -3.171 3.355 -5.125) 6.898 5.211 ( 4.695 -0.955 1.170) 4.932 5.310 ( -3.853 1.073 1.557) 4.292 5.410 ( 4.070 -0.183 -1.041) 4.205 5.492 ( -3.260 5.443 -0.383) 6.356 5.908 ( 2.327 -5.281 -4.131) 7.097 5.939 ( -1.398 -7.392 2.582) 7.954 6.326 ( 5.663 -0.522 2.851) 6.362 6.395 ( 1.445 -2.847 -2.142) 3.845 6.536 ( 2.589 -3.908 -1.871) 5.047 6.571 ( -0.947 -4.672 3.750) 6.065 6.755 ( 2.032 3.883 3.578) 5.657 6.788 ( -1.253 0.514 -2.185) 2.571 6.946 ( 1.839 -2.942 2.953) 4.556 7.046 ( -4.845 -1.750 -4.576) 6.890 7.573 ( -1.738 8.134 0.550) 8.335 7.592 ( -3.161 8.592 0.101) 9.155 8.233 ( 3.572 -1.552 3.745) 5.402 8.265 ( 2.028 -0.188 -4.124) 4.599 8.324 ( 3.018 -1.574 0.929) 3.528 8.425 ( -5.449 -4.276 -0.248) 6.931 8.555 ( 3.479 -3.122 7.778) 9.075 8.639 ( -2.674 -3.346 -5.804) 7.213 9.086 ( -0.107 4.997 3.441) 6.068 9.152 ( -4.188 5.452 -3.039) 7.516 9.644 ( 5.277 -8.618 -1.770) 10.259 9.721 ( -0.708 -12.083 0.098) 12.104 10.103 ( 5.311 2.802 -2.372) 6.456 10.257 ( -8.005 2.041 3.336) 8.910 10.416 ( 4.186 -3.480 -4.652) 7.160 10.508 ( -4.861 -5.247 5.952) 9.305 10.722 ( 3.745 -1.497 2.308) 4.647 10.804 ( -1.280 -1.983 5.608) 6.084 10.954 ( 1.124 0.508 -3.534) 3.743 11.007 ( -6.515 -0.697 -6.569) 9.278 11.302 ( 6.294 -1.415 -1.215) 6.565 11.425 ( -6.442 -2.560 -4.378) 8.199 11.789 ( 2.612 4.251 -1.378) 5.176 11.892 ( -6.945 4.376 3.724) 9.014 12.277 ( 6.762 -4.336 6.538) 10.358 12.459 ( -8.209 -5.452 -5.506) 11.288 12.695 ( 5.486 -3.425 2.307) 6.866 12.756 ( 0.426 -5.230 -1.661) 5.504 13.260 ( 2.678 -0.296 2.625) 3.762 13.311 ( -0.623 -2.393 -2.198) 3.308 13.646 ( 3.085 -1.235 -0.310) 3.338 13.668 ( 0.882 -2.082 2.783) 3.586 14.609 ( 4.216 7.657 -5.556) 10.358 14.707 ( -5.690 7.360 3.059) 9.793 14.838 ( 4.973 6.213 6.878) 10.518 14.951 ( -2.748 6.361 -7.424) 10.156 15.910 ( 0.218 0.411 -3.897) 3.924 15.927 ( -2.435 -0.362 4.726) 5.328 16.392 ( 1.386 -1.980 3.868) 4.561 16.409 ( 1.111 -2.085 -4.391) 4.986 19.850 ( 1.463 3.656 -3.776) 5.456 19.878 ( -1.806 2.970 3.798) 5.149 20.220 ( 0.759 -4.379 2.376) 5.039 20.253 ( -1.217 -5.322 -2.090) 5.846 21.550 ( 2.285 -5.510 1.347) 6.115 21.597 ( -0.978 -6.319 -1.766) 6.634 21.968 ( 0.629 -9.030 -4.077) 9.928 21.973 ( -0.922 -8.526 4.225) 9.560 22.562 ( -0.199 4.990 -1.612) 5.248 22.572 ( -1.411 4.081 1.563) 4.593 23.465 ( 1.342 4.695 1.157) 5.018 23.487 ( -0.184 4.182 -0.136) 4.189 23.944 ( -0.253 1.289 2.037) 2.424 23.952 ( -0.176 1.281 -2.455) 2.774 24.402 ( 0.479 6.058 -2.226) 6.472 24.421 ( -1.619 5.545 1.684) 6.018 ======================= Grid point 158 (82/84) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -2.396 5.612 -3.200) 6.890 2.028 ( 2.396 5.612 3.200) 6.890 2.399 ( 3.348 7.699 -9.688) 12.820 2.399 ( -3.348 7.699 9.688) 12.820 2.631 ( 3.249 -5.001 -3.223) 6.779 2.631 ( -3.249 -5.001 3.223) 6.779 2.853 ( 2.614 -1.988 -4.872) 5.876 2.853 ( -2.614 -1.988 4.872) 5.876 3.151 ( -2.810 2.098 -0.709) 3.578 3.151 ( 2.810 2.098 0.709) 3.578 3.285 ( -0.639 -2.546 -2.334) 3.512 3.285 ( 0.639 -2.546 2.334) 3.512 3.433 ( -1.458 1.161 -2.326) 2.981 3.433 ( 1.458 1.161 2.326) 2.981 3.928 ( 0.929 2.911 -2.476) 3.933 3.928 ( -0.929 2.911 2.476) 3.933 4.105 ( 0.338 2.151 -0.233) 2.190 4.105 ( -0.338 2.151 0.233) 2.190 4.341 ( -3.863 5.163 -1.300) 6.578 4.341 ( 3.863 5.163 1.300) 6.578 4.788 ( -5.070 3.343 -2.222) 6.467 4.788 ( 5.070 3.343 2.222) 6.467 4.856 ( -1.084 1.686 -3.551) 4.078 4.856 ( 1.084 1.686 3.551) 4.078 5.138 ( 2.079 2.966 -3.632) 5.130 5.138 ( -2.079 2.966 3.632) 5.130 5.225 ( -1.164 2.387 -4.457) 5.189 5.225 ( 1.164 2.387 4.457) 5.189 5.365 ( -2.328 -5.759 -3.653) 7.206 5.365 ( 2.328 -5.759 3.653) 7.206 5.730 ( 0.651 -2.039 -1.696) 2.731 5.730 ( -0.651 -2.039 1.696) 2.731 6.244 ( 0.034 1.296 -1.806) 2.223 6.244 ( -0.034 1.296 1.806) 2.223 6.467 ( -0.688 -1.434 -0.688) 1.733 6.467 ( 0.688 -1.434 0.688) 1.733 6.815 ( -3.036 2.375 -1.891) 4.293 6.815 ( 3.036 2.375 1.891) 4.293 6.908 ( -3.899 -5.815 -1.775) 7.223 6.908 ( 3.899 -5.815 1.775) 7.223 7.879 ( -2.083 5.009 -2.276) 5.883 7.879 ( 2.083 5.009 2.276) 5.883 8.066 ( -2.146 -3.398 -3.531) 5.350 8.066 ( 2.146 -3.398 3.531) 5.350 8.350 ( 0.411 4.712 -1.634) 5.005 8.350 ( -0.411 4.712 1.634) 5.005 8.564 ( 3.036 -5.590 -1.981) 6.662 8.564 ( -3.036 -5.590 1.981) 6.662 9.326 ( -1.829 3.570 -2.981) 4.998 9.326 ( 1.829 3.570 2.981) 4.998 9.430 ( -0.911 -4.623 -5.740) 7.426 9.430 ( 0.911 -4.623 5.740) 7.427 10.184 ( -0.137 -0.204 -2.241) 2.254 10.184 ( 0.137 -0.204 2.241) 2.254 10.446 ( -0.842 -1.515 -1.562) 2.333 10.446 ( 0.842 -1.515 1.562) 2.333 10.789 ( 2.036 0.088 -5.034) 5.431 10.789 ( -2.036 0.088 5.034) 5.431 10.816 ( 2.476 -2.202 -4.428) 5.530 10.816 ( -2.476 -2.202 4.428) 5.530 11.653 ( -4.423 0.179 -3.982) 5.954 11.653 ( 4.423 0.179 3.982) 5.954 11.797 ( -2.082 -1.340 -3.745) 4.489 11.797 ( 2.082 -1.340 3.745) 4.489 12.350 ( -4.353 2.083 -0.670) 4.872 12.350 ( 4.353 2.083 0.670) 4.872 12.683 ( -0.875 -1.504 -0.863) 1.942 12.683 ( 0.875 -1.504 0.863) 1.942 13.189 ( -0.526 -1.261 -0.127) 1.373 13.189 ( 0.526 -1.261 0.127) 1.373 13.469 ( -0.435 -1.015 -0.660) 1.287 13.469 ( 0.435 -1.015 0.660) 1.287 14.681 ( -0.722 2.410 -2.650) 3.654 14.681 ( 0.722 2.410 2.650) 3.654 15.085 ( 0.972 3.524 -2.165) 4.248 15.085 ( -0.972 3.524 2.165) 4.248 15.993 ( 0.214 0.627 -2.811) 2.888 15.993 ( -0.214 0.627 2.811) 2.888 16.263 ( 0.957 -2.195 -4.106) 4.753 16.263 ( -0.957 -2.195 4.106) 4.753 19.934 ( 0.011 2.329 -3.180) 3.942 19.934 ( -0.011 2.329 3.180) 3.942 20.181 ( 0.672 -2.509 -4.230) 4.964 20.181 ( -0.672 -2.509 4.230) 4.964 21.423 ( -0.298 -2.854 -0.473) 2.908 21.423 ( 0.298 -2.854 0.473) 2.908 21.872 ( -0.018 -2.905 -0.863) 3.030 21.872 ( 0.018 -2.905 0.863) 3.030 22.679 ( 0.158 1.863 -2.194) 2.882 22.679 ( -0.158 1.863 2.194) 2.882 23.500 ( -0.188 1.373 -0.791) 1.596 23.500 ( 0.188 1.373 0.791) 1.596 23.974 ( 0.326 0.384 -1.833) 1.901 23.974 ( -0.326 0.384 1.833) 1.901 24.534 ( -0.191 2.320 -0.847) 2.477 24.534 ( 0.191 2.320 0.847) 2.477 ======================= Grid point 160 (83/84) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.808 7.190 -5.315) 8.977 2.059 ( 0.241 -0.446 -0.074) 0.512 2.354 ( -3.486 7.548 8.806) 12.111 2.500 ( 3.722 1.300 3.073) 4.998 2.541 ( -4.924 1.928 0.886) 5.362 2.624 ( -0.249 -2.880 0.318) 2.908 2.879 ( 2.651 2.029 3.690) 4.976 2.949 ( 5.430 2.277 -5.009) 7.730 3.055 ( -4.378 0.653 -2.395) 5.033 3.168 ( -1.499 -3.374 -0.288) 3.703 3.204 ( -2.380 0.136 0.345) 2.409 3.284 ( -3.142 -8.445 -1.785) 9.185 3.396 ( -1.581 5.837 4.973) 7.830 3.457 ( -2.901 1.425 3.369) 4.668 3.831 ( -3.551 7.367 -3.152) 8.765 3.928 ( -1.574 -1.888 -4.835) 5.424 4.088 ( -1.456 3.051 0.428) 3.408 4.122 ( 0.210 1.045 3.704) 3.854 4.233 ( -3.492 3.691 1.064) 5.191 4.321 ( -5.243 -2.333 -1.899) 6.045 4.624 ( -5.729 9.761 0.226) 11.320 4.802 ( -4.420 -4.959 -3.048) 7.309 4.829 ( 0.169 4.697 -2.579) 5.361 4.920 ( 4.382 0.610 0.032) 4.424 5.107 ( 1.794 8.283 -4.717) 9.699 5.156 ( -3.136 8.059 1.234) 8.735 5.248 ( 0.930 -4.292 -6.212) 7.608 5.261 ( 4.424 7.009 -2.679) 8.711 5.326 ( 0.539 -4.421 4.908) 6.628 5.549 ( 6.082 -15.458 1.145) 16.651 5.708 ( 2.422 7.014 2.963) 7.990 5.812 ( 3.052 -3.304 1.261) 4.671 6.275 ( 3.120 2.608 0.465) 4.093 6.296 ( 4.350 -0.059 -0.493) 4.378 6.430 ( -1.005 -0.433 2.102) 2.370 6.480 ( -0.708 -4.219 1.271) 4.463 6.772 ( -0.066 1.572 0.010) 1.574 6.811 ( -3.073 -2.673 -0.660) 4.126 6.887 ( 1.960 2.472 2.082) 3.780 7.000 ( 2.332 -6.478 -0.815) 6.933 7.785 ( -4.083 5.315 -1.120) 6.795 7.830 ( -4.371 2.973 -0.115) 5.288 8.099 ( 3.367 0.472 3.708) 5.031 8.175 ( 3.191 -3.949 3.618) 6.234 8.358 ( 0.651 3.081 -1.506) 3.491 8.374 ( 2.423 0.935 3.382) 4.264 8.486 ( -3.788 -0.668 -0.680) 3.906 8.586 ( -0.285 -6.722 -3.822) 7.738 9.228 ( -3.684 4.884 -0.140) 6.120 9.315 ( -2.351 0.035 -2.706) 3.585 9.441 ( 1.604 -3.544 -2.022) 4.384 9.481 ( 1.393 -5.155 4.254) 6.827 10.143 ( 0.283 4.787 -0.777) 4.858 10.255 ( 3.416 -4.806 -2.211) 6.297 10.403 ( -2.929 0.432 -0.036) 2.961 10.449 ( -1.345 -3.599 2.277) 4.466 10.700 ( -2.565 0.966 4.167) 4.988 10.733 ( -1.010 -2.071 4.974) 5.481 10.925 ( 6.723 3.288 -2.864) 8.013 11.024 ( 9.467 -5.592 -5.197) 12.162 11.368 ( -12.698 5.854 -8.842) 16.544 11.502 ( -9.186 -6.382 -8.264) 13.907 11.857 ( 1.653 4.211 6.153) 7.637 11.961 ( 4.251 -5.776 7.463) 10.351 12.228 ( -5.287 8.521 2.011) 10.228 12.408 ( -1.740 -8.092 1.235) 8.369 12.638 ( -0.088 2.014 -3.094) 3.693 12.684 ( 0.383 -1.920 -2.241) 2.976 13.201 ( 1.739 0.066 0.283) 1.764 13.225 ( 2.266 -2.347 -0.391) 3.286 13.537 ( 4.890 -0.177 2.148) 5.344 13.550 ( 4.703 -1.461 3.162) 5.853 14.690 ( 2.228 4.511 -2.014) 5.419 14.739 ( 3.575 -0.004 2.586) 4.412 15.016 ( -4.000 6.379 -1.470) 7.671 15.082 ( -1.208 0.595 -4.571) 4.765 15.964 ( -1.839 1.018 0.069) 2.103 15.969 ( -2.422 0.299 4.548) 5.162 16.295 ( 2.703 -1.134 1.230) 3.178 16.312 ( 3.584 -2.549 -3.950) 5.912 19.923 ( 0.022 2.911 -2.948) 4.143 19.939 ( -0.471 1.472 2.805) 3.203 20.163 ( -1.106 -1.655 0.870) 2.172 20.179 ( -0.456 -3.284 -1.368) 3.586 21.430 ( 1.358 -1.439 0.778) 2.127 21.458 ( 2.064 -4.032 0.250) 4.536 21.853 ( -1.265 -2.857 -0.901) 3.252 21.861 ( -1.144 -3.464 0.308) 3.661 22.664 ( -0.780 2.183 -1.929) 3.016 22.669 ( -1.266 1.783 2.031) 2.985 23.507 ( 0.858 1.964 0.584) 2.222 23.520 ( 1.011 0.754 1.149) 1.706 23.969 ( -0.309 0.691 0.712) 1.039 23.975 ( 0.080 0.212 -1.136) 1.159 24.517 ( -0.899 2.868 -1.277) 3.265 24.528 ( -0.926 1.836 0.393) 2.093 ======================= Grid point 161 (84/84) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 5.423 4.758 -6.174) 9.496 2.074 ( 0.561 -2.481 -0.441) 2.582 2.268 ( -5.431 3.625 7.207) 9.725 2.327 ( -9.190 -1.108 3.316) 9.833 2.654 ( 5.406 6.577 0.562) 8.532 2.682 ( 3.009 3.680 -0.001) 4.754 2.907 ( -0.312 2.515 5.638) 6.182 2.969 ( -3.176 -2.271 -5.909) 7.082 3.021 ( 2.704 4.663 0.021) 5.390 3.130 ( -5.404 -0.787 -3.499) 6.486 3.175 ( 3.321 -0.784 -1.142) 3.599 3.262 ( 3.466 -5.054 0.209) 6.132 3.310 ( -6.886 4.058 3.073) 8.563 3.367 ( -4.600 0.354 2.844) 5.420 3.814 ( 1.513 3.310 0.591) 3.687 3.864 ( -2.190 -0.937 -4.410) 5.013 4.073 ( 0.863 2.310 -2.610) 3.591 4.108 ( -3.050 0.634 6.150) 6.894 4.191 ( 0.042 -0.939 -0.854) 1.269 4.223 ( -2.602 -2.743 -0.558) 3.822 4.586 ( 1.351 11.431 1.828) 11.655 4.669 ( -4.923 6.053 -4.468) 8.991 4.881 ( 4.305 0.295 -1.810) 4.679 4.972 ( -2.217 -4.725 0.499) 5.243 5.085 ( 2.060 7.079 -2.841) 7.901 5.154 ( -1.009 3.667 0.673) 3.863 5.199 ( -0.700 -0.931 -2.013) 2.326 5.244 ( -3.374 -3.595 -0.015) 4.930 5.466 ( 7.138 4.748 2.318) 8.881 5.577 ( -2.017 -1.745 -1.434) 3.028 5.805 ( 3.121 -0.722 3.151) 4.494 5.845 ( -0.025 -2.160 -1.430) 2.590 6.352 ( 2.590 2.366 1.702) 3.899 6.374 ( 1.763 0.280 -2.166) 2.807 6.452 ( 1.530 -3.101 -0.500) 3.494 6.467 ( -0.712 -4.476 3.268) 5.588 6.795 ( 2.639 1.208 0.419) 2.933 6.833 ( 4.344 0.462 2.602) 5.084 6.885 ( -2.182 0.457 0.589) 2.306 6.972 ( -4.232 -4.851 -3.166) 7.174 7.730 ( -0.616 5.927 -0.038) 5.959 7.753 ( -2.512 4.712 0.270) 5.347 8.166 ( 2.269 -2.418 0.353) 3.334 8.203 ( -1.007 -4.376 2.970) 5.384 8.361 ( -0.216 2.200 2.704) 3.493 8.391 ( -1.964 1.506 -2.434) 3.471 8.483 ( 3.013 -1.959 4.809) 6.004 8.547 ( -1.348 -5.225 -6.463) 8.419 9.198 ( 0.728 5.476 1.436) 5.707 9.249 ( -2.759 2.569 -2.544) 4.548 9.473 ( 2.126 -5.870 -2.049) 6.571 9.502 ( -0.726 -7.454 3.145) 8.123 10.200 ( 4.950 5.840 -1.606) 7.822 10.316 ( -5.032 3.410 1.491) 6.259 10.324 ( 3.573 -5.448 -2.915) 7.138 10.400 ( -3.698 -4.665 3.052) 6.690 10.719 ( 2.530 1.255 4.113) 4.990 10.759 ( 0.621 -2.153 4.789) 5.288 10.975 ( -1.442 1.239 -6.056) 6.347 10.996 ( -5.889 -0.635 -8.381) 10.263 11.296 ( 4.282 1.187 0.410) 4.462 11.353 ( -2.114 -3.780 -1.985) 4.764 11.894 ( 1.747 5.359 1.682) 5.882 11.966 ( -4.011 0.568 2.365) 4.691 12.196 ( 1.944 -0.432 3.400) 3.940 12.299 ( -5.904 -8.077 -2.152) 10.234 12.675 ( 2.207 0.513 -0.079) 2.268 12.696 ( 0.463 -1.438 -1.251) 1.961 13.250 ( 1.911 -0.159 0.935) 2.134 13.265 ( 0.985 -1.624 -0.734) 2.037 13.629 ( 2.338 -0.402 0.760) 2.491 13.634 ( 1.667 -1.018 1.979) 2.780 14.755 ( 3.785 5.562 -0.487) 6.745 14.812 ( 0.327 0.993 1.594) 1.907 14.946 ( -0.165 4.849 0.568) 4.884 15.013 ( -3.302 -0.531 -5.126) 6.120 15.934 ( -0.766 1.238 0.811) 1.666 15.938 ( -1.140 0.842 1.704) 2.217 16.352 ( 1.498 -1.192 2.205) 2.920 16.361 ( 1.577 -1.935 -3.529) 4.323 19.920 ( 0.620 2.497 -2.611) 3.666 19.931 ( -0.922 1.558 2.499) 3.086 20.149 ( -0.333 -1.934 1.661) 2.571 20.160 ( -0.610 -2.973 -1.946) 3.606 21.474 ( 1.843 -1.498 1.121) 2.626 21.493 ( 0.637 -3.232 -0.401) 3.319 21.826 ( -0.608 -3.514 -0.714) 3.637 21.833 ( -1.238 -4.059 0.274) 4.253 22.644 ( -0.251 2.321 -1.638) 2.852 22.647 ( -0.983 2.084 1.709) 2.869 23.531 ( 0.870 1.687 0.676) 2.015 23.539 ( 0.274 0.946 0.416) 1.070 23.968 ( -0.099 0.747 1.078) 1.316 23.971 ( -0.026 0.431 -1.377) 1.443 24.499 ( -0.182 2.704 -1.137) 2.939 24.505 ( -0.975 2.054 0.586) 2.348 =================== 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 3/26880 10.0 476.564 855.378 826.897 0.000 33.551 0.000 3/26880 20.0 152.442 302.456 226.119 0.000 -0.088 0.000 3/26880 30.0 68.102 134.460 93.108 0.000 -0.944 0.000 3/26880 40.0 38.841 74.183 51.907 0.000 -0.749 0.000 3/26880 50.0 25.589 47.836 34.155 0.000 -0.545 0.000 3/26880 60.0 18.524 34.148 24.814 0.000 -0.403 0.000 3/26880 70.0 14.295 26.087 19.226 0.000 -0.308 0.000 3/26880 80.0 11.542 20.897 15.578 0.000 -0.242 0.000 3/26880 90.0 9.635 17.330 13.040 0.000 -0.196 0.000 3/26880 100.0 8.250 14.753 11.190 0.000 -0.162 0.000 3/26880 110.0 7.206 12.819 9.789 0.000 -0.136 0.000 3/26880 120.0 6.393 11.322 8.697 0.000 -0.117 0.000 3/26880 130.0 5.746 10.133 7.825 0.000 -0.101 0.000 3/26880 140.0 5.218 9.169 7.113 0.000 -0.089 0.000 3/26880 150.0 4.781 8.373 6.523 0.000 -0.079 0.000 3/26880 160.0 4.412 7.705 6.025 0.000 -0.071 0.000 3/26880 170.0 4.097 7.138 5.601 0.000 -0.064 0.000 3/26880 180.0 3.826 6.650 5.235 0.000 -0.058 0.000 3/26880 190.0 3.589 6.226 4.915 0.000 -0.054 0.000 3/26880 200.0 3.380 5.855 4.635 0.000 -0.050 0.000 3/26880 210.0 3.195 5.527 4.386 0.000 -0.047 0.000 3/26880 220.0 3.030 5.235 4.164 0.000 -0.044 0.000 3/26880 230.0 2.882 4.974 3.965 0.000 -0.041 0.000 3/26880 240.0 2.747 4.738 3.785 0.000 -0.039 0.000 3/26880 250.0 2.625 4.525 3.622 0.000 -0.037 0.000 3/26880 260.0 2.514 4.331 3.473 0.000 -0.036 0.000 3/26880 270.0 2.412 4.153 3.336 0.000 -0.034 0.000 3/26880 280.0 2.319 3.990 3.210 0.000 -0.033 0.000 3/26880 290.0 2.232 3.840 3.094 0.000 -0.032 0.000 3/26880 300.0 2.152 3.701 2.986 0.000 -0.031 0.000 3/26880 310.0 2.077 3.572 2.886 0.000 -0.030 0.000 3/26880 320.0 2.008 3.453 2.793 0.000 -0.029 0.000 3/26880 330.0 1.943 3.341 2.706 0.000 -0.028 0.000 3/26880 340.0 1.883 3.236 2.624 0.000 -0.027 0.000 3/26880 350.0 1.826 3.139 2.548 0.000 -0.027 0.000 3/26880 360.0 1.772 3.047 2.476 0.000 -0.026 0.000 3/26880 370.0 1.722 2.960 2.408 0.000 -0.025 0.000 3/26880 380.0 1.674 2.878 2.343 0.000 -0.025 0.000 3/26880 390.0 1.629 2.801 2.283 0.000 -0.024 0.000 3/26880 400.0 1.587 2.728 2.225 0.000 -0.024 0.000 3/26880 410.0 1.547 2.659 2.170 0.000 -0.023 0.000 3/26880 420.0 1.508 2.593 2.118 0.000 -0.023 0.000 3/26880 430.0 1.472 2.531 2.069 0.000 -0.022 0.000 3/26880 440.0 1.437 2.472 2.021 0.000 -0.022 0.000 3/26880 450.0 1.404 2.415 1.976 0.000 -0.021 0.000 3/26880 460.0 1.373 2.361 1.933 0.000 -0.021 0.000 3/26880 470.0 1.342 2.309 1.892 0.000 -0.021 0.000 3/26880 480.0 1.314 2.260 1.853 0.000 -0.020 0.000 3/26880 490.0 1.286 2.213 1.815 0.000 -0.020 0.000 3/26880 500.0 1.260 2.167 1.778 0.000 -0.020 0.000 3/26880 510.0 1.234 2.124 1.744 0.000 -0.019 0.000 3/26880 520.0 1.210 2.082 1.710 0.000 -0.019 0.000 3/26880 530.0 1.187 2.042 1.678 0.000 -0.019 0.000 3/26880 540.0 1.164 2.003 1.647 0.000 -0.018 0.000 3/26880 550.0 1.142 1.966 1.617 0.000 -0.018 0.000 3/26880 560.0 1.122 1.931 1.588 0.000 -0.018 0.000 3/26880 570.0 1.101 1.896 1.561 0.000 -0.018 0.000 3/26880 580.0 1.082 1.863 1.534 0.000 -0.017 0.000 3/26880 590.0 1.063 1.831 1.508 0.000 -0.017 0.000 3/26880 600.0 1.045 1.800 1.483 0.000 -0.017 0.000 3/26880 610.0 1.028 1.770 1.459 0.000 -0.017 0.000 3/26880 620.0 1.011 1.741 1.435 0.000 -0.016 0.000 3/26880 630.0 0.995 1.713 1.413 0.000 -0.016 0.000 3/26880 640.0 0.979 1.686 1.391 0.000 -0.016 0.000 3/26880 650.0 0.964 1.660 1.369 0.000 -0.016 0.000 3/26880 660.0 0.949 1.634 1.349 0.000 -0.016 0.000 3/26880 670.0 0.934 1.610 1.329 0.000 -0.015 0.000 3/26880 680.0 0.920 1.586 1.309 0.000 -0.015 0.000 3/26880 690.0 0.907 1.563 1.290 0.000 -0.015 0.000 3/26880 700.0 0.894 1.540 1.272 0.000 -0.015 0.000 3/26880 710.0 0.881 1.518 1.254 0.000 -0.015 0.000 3/26880 720.0 0.869 1.497 1.237 0.000 -0.014 0.000 3/26880 730.0 0.857 1.476 1.220 0.000 -0.014 0.000 3/26880 740.0 0.845 1.456 1.204 0.000 -0.014 0.000 3/26880 750.0 0.833 1.437 1.188 0.000 -0.014 0.000 3/26880 760.0 0.822 1.417 1.172 0.000 -0.014 0.000 3/26880 770.0 0.812 1.399 1.157 0.000 -0.014 0.000 3/26880 780.0 0.801 1.381 1.142 0.000 -0.013 0.000 3/26880 790.0 0.791 1.363 1.128 0.000 -0.013 0.000 3/26880 800.0 0.781 1.346 1.114 0.000 -0.013 0.000 3/26880 810.0 0.771 1.329 1.100 0.000 -0.013 0.000 3/26880 820.0 0.762 1.313 1.087 0.000 -0.013 0.000 3/26880 830.0 0.752 1.297 1.074 0.000 -0.013 0.000 3/26880 840.0 0.743 1.282 1.061 0.000 -0.013 0.000 3/26880 850.0 0.734 1.266 1.049 0.000 -0.012 0.000 3/26880 860.0 0.726 1.252 1.036 0.000 -0.012 0.000 3/26880 870.0 0.717 1.237 1.025 0.000 -0.012 0.000 3/26880 880.0 0.709 1.223 1.013 0.000 -0.012 0.000 3/26880 890.0 0.701 1.209 1.002 0.000 -0.012 0.000 3/26880 900.0 0.693 1.196 0.991 0.000 -0.012 0.000 3/26880 910.0 0.686 1.183 0.980 0.000 -0.012 0.000 3/26880 920.0 0.678 1.170 0.969 0.000 -0.012 0.000 3/26880 930.0 0.671 1.157 0.959 0.000 -0.011 0.000 3/26880 940.0 0.664 1.145 0.949 0.000 -0.011 0.000 3/26880 950.0 0.657 1.133 0.939 0.000 -0.011 0.000 3/26880 960.0 0.650 1.121 0.929 0.000 -0.011 0.000 3/26880 970.0 0.643 1.109 0.919 0.000 -0.011 0.000 3/26880 980.0 0.636 1.098 0.910 0.000 -0.011 0.000 3/26880 990.0 0.630 1.087 0.901 0.000 -0.011 0.000 3/26880 1000.0 0.624 1.076 0.892 0.000 -0.011 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m578.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:11:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|