----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:39:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.936763080372210 0.000000000000000 0.000000000000000 b 0.000000000000000 7.935548510000000 0.000000000000000 c -5.925776280882708 0.000000000000000 8.831733533588013 Atomic positions (fractional): *1 Ba 0.13941017333218 0.12634040680741 0.39650497096480 137.327 2 Ba 0.13941017333218 0.37365959319259 0.89650497096480 137.327 3 Ba 0.86058982666782 0.87365959319259 0.60349502903520 137.327 4 Ba 0.86058982666782 0.62634040680741 0.10349502903520 137.327 *5 Ba 0.58520714988588 0.02843406356213 0.83307131004446 137.327 6 Ba 0.58520714988588 0.47156593643787 0.33307131004446 137.327 7 Ba 0.41479285011412 0.97156593643787 0.16692868995554 137.327 8 Ba 0.41479285011412 0.52843406356213 0.66692868995554 137.327 *9 H 0.80604572360074 0.90028657391408 0.21033657700579 1.008 10 H 0.80604572360074 0.59971342608592 0.71033657700579 1.008 11 H 0.19395427639926 0.09971342608592 0.78966342299421 1.008 12 H 0.19395427639926 0.40028657391408 0.28966342299421 1.008 *13 H 0.30704688968693 0.83818945362980 0.52327235753674 1.008 14 H 0.30704688968693 0.66181054637020 0.02327235753674 1.008 15 H 0.69295311031307 0.16181054637020 0.47672764246326 1.008 16 H 0.69295311031307 0.33818945362980 0.97672764246326 1.008 *17 H 0.32170349025032 0.72336160244697 0.37312219514219 1.008 18 H 0.32170349025032 0.77663839755303 0.87312219514219 1.008 19 H 0.67829650974968 0.27663839755303 0.62687780485781 1.008 20 H 0.67829650974968 0.22336160244697 0.12687780485781 1.008 *21 H 0.96677940707089 0.73315627750003 0.90965697775986 1.008 22 H 0.96677940707089 0.76684372249997 0.40965697775986 1.008 23 H 0.03322059292911 0.26684372249997 0.09034302224014 1.008 24 H 0.03322059292911 0.23315627750003 0.59034302224014 1.008 *25 O 0.78956686145299 0.98005263036787 0.13147925395585 15.999 26 O 0.78956686145299 0.51994736963213 0.63147925395585 15.999 27 O 0.21043313854701 0.01994736963213 0.86852074604415 15.999 28 O 0.21043313854701 0.48005263036787 0.36852074604415 15.999 *29 O 0.23508067666661 0.84622815170741 0.58372911175028 15.999 30 O 0.23508067666661 0.65377184829259 0.08372911175028 15.999 31 O 0.76491932333339 0.15377184829259 0.41627088824972 15.999 32 O 0.76491932333339 0.34622815170741 0.91627088824972 15.999 *33 O 0.38562105235628 0.83887678528916 0.39902201654796 15.999 34 O 0.38562105235628 0.66112321471084 0.89902201654796 15.999 35 O 0.61437894764372 0.16112321471084 0.60097798345204 15.999 36 O 0.61437894764372 0.33887678528916 0.10097798345204 15.999 *37 O 0.80019073333052 0.74843900245385 0.82590283549621 15.999 38 O 0.80019073333052 0.75156099754615 0.32590283549621 15.999 39 O 0.19980926666948 0.25156099754615 0.17409716450379 15.999 40 O 0.19980926666948 0.24843900245385 0.67409716450379 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.936763080372210 0.000000000000000 0.000000000000000 b 0.000000000000000 7.935548510000000 0.000000000000000 c -5.925776280882708 0.000000000000000 8.831733533588013 Atomic positions (fractional): *1 Ba 0.13941017333218 0.12634040680741 0.39650497096480 137.327 > 1 2 Ba 0.13941017333218 0.37365959319259 0.89650497096480 137.327 > 2 3 Ba 0.86058982666782 0.87365959319259 0.60349502903520 137.327 > 3 4 Ba 0.86058982666782 0.62634040680741 0.10349502903520 137.327 > 4 *5 Ba 0.58520714988588 0.02843406356213 0.83307131004446 137.327 > 5 6 Ba 0.58520714988588 0.47156593643787 0.33307131004446 137.327 > 6 7 Ba 0.41479285011412 0.97156593643787 0.16692868995554 137.327 > 7 8 Ba 0.41479285011412 0.52843406356213 0.66692868995554 137.327 > 8 *9 H 0.80604572360074 0.90028657391408 0.21033657700579 1.008 > 9 10 H 0.80604572360074 0.59971342608592 0.71033657700579 1.008 > 10 11 H 0.19395427639926 0.09971342608592 0.78966342299421 1.008 > 11 12 H 0.19395427639926 0.40028657391408 0.28966342299421 1.008 > 12 *13 H 0.30704688968693 0.83818945362980 0.52327235753674 1.008 > 13 14 H 0.30704688968693 0.66181054637020 0.02327235753674 1.008 > 14 15 H 0.69295311031307 0.16181054637020 0.47672764246326 1.008 > 15 16 H 0.69295311031307 0.33818945362980 0.97672764246326 1.008 > 16 *17 H 0.32170349025032 0.72336160244697 0.37312219514219 1.008 > 17 18 H 0.32170349025032 0.77663839755303 0.87312219514219 1.008 > 18 19 H 0.67829650974968 0.27663839755303 0.62687780485781 1.008 > 19 20 H 0.67829650974968 0.22336160244697 0.12687780485781 1.008 > 20 *21 H 0.96677940707089 0.73315627750003 0.90965697775986 1.008 > 21 22 H 0.96677940707089 0.76684372249997 0.40965697775986 1.008 > 22 23 H 0.03322059292911 0.26684372249997 0.09034302224014 1.008 > 23 24 H 0.03322059292911 0.23315627750003 0.59034302224014 1.008 > 24 *25 O 0.78956686145299 0.98005263036787 0.13147925395585 15.999 > 25 26 O 0.78956686145299 0.51994736963213 0.63147925395585 15.999 > 26 27 O 0.21043313854701 0.01994736963213 0.86852074604415 15.999 > 27 28 O 0.21043313854701 0.48005263036787 0.36852074604415 15.999 > 28 *29 O 0.23508067666661 0.84622815170741 0.58372911175028 15.999 > 29 30 O 0.23508067666661 0.65377184829259 0.08372911175028 15.999 > 30 31 O 0.76491932333339 0.15377184829259 0.41627088824972 15.999 > 31 32 O 0.76491932333339 0.34622815170741 0.91627088824972 15.999 > 32 *33 O 0.38562105235628 0.83887678528916 0.39902201654796 15.999 > 33 34 O 0.38562105235628 0.66112321471084 0.89902201654796 15.999 > 34 35 O 0.61437894764372 0.16112321471084 0.60097798345204 15.999 > 35 36 O 0.61437894764372 0.33887678528916 0.10097798345204 15.999 > 36 *37 O 0.80019073333052 0.74843900245385 0.82590283549621 15.999 > 37 38 O 0.80019073333052 0.75156099754615 0.32590283549621 15.999 > 38 39 O 0.19980926666948 0.25156099754615 0.17409716450379 15.999 > 39 40 O 0.19980926666948 0.24843900245385 0.67409716450379 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.873526160744420 0.000000000000000 0.000000000000000 b 0.000000000000000 7.935548510000000 0.000000000000000 c -5.925776280882708 0.000000000000000 8.831733533588013 Atomic positions (fractional): *1 Ba 0.06970508666609 0.12634040680741 0.39650497096480 137.327 > 1 2 Ba 0.56970508666609 0.12634040680741 0.39650497096480 137.327 > 1 3 Ba 0.06970508666609 0.37365959319259 0.89650497096480 137.327 > 2 4 Ba 0.56970508666609 0.37365959319259 0.89650497096480 137.327 > 2 5 Ba 0.43029491333391 0.87365959319259 0.60349502903520 137.327 > 3 6 Ba 0.93029491333391 0.87365959319259 0.60349502903520 137.327 > 3 7 Ba 0.43029491333391 0.62634040680741 0.10349502903520 137.327 > 4 8 Ba 0.93029491333391 0.62634040680741 0.10349502903520 137.327 > 4 *9 Ba 0.29260357494294 0.02843406356213 0.83307131004446 137.327 > 5 10 Ba 0.79260357494294 0.02843406356213 0.83307131004446 137.327 > 5 11 Ba 0.29260357494294 0.47156593643787 0.33307131004446 137.327 > 6 12 Ba 0.79260357494294 0.47156593643787 0.33307131004446 137.327 > 6 13 Ba 0.20739642505706 0.97156593643787 0.16692868995554 137.327 > 7 14 Ba 0.70739642505706 0.97156593643787 0.16692868995554 137.327 > 7 15 Ba 0.20739642505706 0.52843406356213 0.66692868995554 137.327 > 8 16 Ba 0.70739642505706 0.52843406356213 0.66692868995554 137.327 > 8 *17 H 0.40302286180037 0.90028657391408 0.21033657700579 1.008 > 9 18 H 0.90302286180037 0.90028657391408 0.21033657700579 1.008 > 9 19 H 0.40302286180037 0.59971342608592 0.71033657700579 1.008 > 10 20 H 0.90302286180037 0.59971342608592 0.71033657700579 1.008 > 10 21 H 0.09697713819963 0.09971342608592 0.78966342299421 1.008 > 11 22 H 0.59697713819963 0.09971342608592 0.78966342299421 1.008 > 11 23 H 0.09697713819963 0.40028657391408 0.28966342299421 1.008 > 12 24 H 0.59697713819963 0.40028657391408 0.28966342299421 1.008 > 12 *25 H 0.15352344484346 0.83818945362980 0.52327235753674 1.008 > 13 26 H 0.65352344484346 0.83818945362980 0.52327235753674 1.008 > 13 27 H 0.15352344484346 0.66181054637020 0.02327235753674 1.008 > 14 28 H 0.65352344484346 0.66181054637020 0.02327235753674 1.008 > 14 29 H 0.34647655515654 0.16181054637020 0.47672764246326 1.008 > 15 30 H 0.84647655515654 0.16181054637020 0.47672764246326 1.008 > 15 31 H 0.34647655515654 0.33818945362980 0.97672764246326 1.008 > 16 32 H 0.84647655515654 0.33818945362980 0.97672764246326 1.008 > 16 *33 H 0.16085174512516 0.72336160244697 0.37312219514219 1.008 > 17 34 H 0.66085174512516 0.72336160244697 0.37312219514219 1.008 > 17 35 H 0.16085174512516 0.77663839755303 0.87312219514219 1.008 > 18 36 H 0.66085174512516 0.77663839755303 0.87312219514219 1.008 > 18 37 H 0.33914825487484 0.27663839755303 0.62687780485781 1.008 > 19 38 H 0.83914825487484 0.27663839755303 0.62687780485781 1.008 > 19 39 H 0.33914825487484 0.22336160244697 0.12687780485781 1.008 > 20 40 H 0.83914825487484 0.22336160244697 0.12687780485781 1.008 > 20 *41 H 0.48338970353545 0.73315627750003 0.90965697775986 1.008 > 21 42 H 0.98338970353545 0.73315627750003 0.90965697775986 1.008 > 21 43 H 0.48338970353545 0.76684372249997 0.40965697775986 1.008 > 22 44 H 0.98338970353545 0.76684372249997 0.40965697775986 1.008 > 22 45 H 0.01661029646455 0.26684372249997 0.09034302224014 1.008 > 23 46 H 0.51661029646455 0.26684372249997 0.09034302224014 1.008 > 23 47 H 0.01661029646455 0.23315627750003 0.59034302224014 1.008 > 24 48 H 0.51661029646455 0.23315627750003 0.59034302224014 1.008 > 24 *49 O 0.39478343072650 0.98005263036787 0.13147925395585 15.999 > 25 50 O 0.89478343072650 0.98005263036787 0.13147925395585 15.999 > 25 51 O 0.39478343072650 0.51994736963213 0.63147925395585 15.999 > 26 52 O 0.89478343072650 0.51994736963213 0.63147925395585 15.999 > 26 53 O 0.10521656927350 0.01994736963213 0.86852074604415 15.999 > 27 54 O 0.60521656927350 0.01994736963213 0.86852074604415 15.999 > 27 55 O 0.10521656927350 0.48005263036787 0.36852074604415 15.999 > 28 56 O 0.60521656927350 0.48005263036787 0.36852074604415 15.999 > 28 *57 O 0.11754033833330 0.84622815170741 0.58372911175028 15.999 > 29 58 O 0.61754033833330 0.84622815170741 0.58372911175028 15.999 > 29 59 O 0.11754033833330 0.65377184829259 0.08372911175028 15.999 > 30 60 O 0.61754033833330 0.65377184829259 0.08372911175028 15.999 > 30 61 O 0.38245966166670 0.15377184829259 0.41627088824972 15.999 > 31 62 O 0.88245966166670 0.15377184829259 0.41627088824972 15.999 > 31 63 O 0.38245966166670 0.34622815170741 0.91627088824972 15.999 > 32 64 O 0.88245966166670 0.34622815170741 0.91627088824972 15.999 > 32 *65 O 0.19281052617814 0.83887678528916 0.39902201654796 15.999 > 33 66 O 0.69281052617814 0.83887678528916 0.39902201654796 15.999 > 33 67 O 0.19281052617814 0.66112321471084 0.89902201654796 15.999 > 34 68 O 0.69281052617814 0.66112321471084 0.89902201654796 15.999 > 34 69 O 0.30718947382186 0.16112321471084 0.60097798345204 15.999 > 35 70 O 0.80718947382186 0.16112321471084 0.60097798345204 15.999 > 35 71 O 0.30718947382186 0.33887678528916 0.10097798345204 15.999 > 36 72 O 0.80718947382186 0.33887678528916 0.10097798345204 15.999 > 36 *73 O 0.40009536666526 0.74843900245385 0.82590283549621 15.999 > 37 74 O 0.90009536666526 0.74843900245385 0.82590283549621 15.999 > 37 75 O 0.40009536666526 0.75156099754615 0.32590283549621 15.999 > 38 76 O 0.90009536666526 0.75156099754615 0.32590283549621 15.999 > 38 77 O 0.09990463333474 0.25156099754615 0.17409716450379 15.999 > 39 78 O 0.59990463333474 0.25156099754615 0.17409716450379 15.999 > 39 79 O 0.09990463333474 0.24843900245385 0.67409716450379 15.999 > 40 80 O 0.59990463333474 0.24843900245385 0.67409716450379 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2589265 0.0000000 -0.0627876 0.0000000 3.2971303 0.0000000 -0.0627878 0.0000000 3.3228108 -------------------------- Born effective charges -------------------------- 1 Ba 2.6641002 0.1611697 0.0269606 0.1632058 2.5047377 -0.0546364 -0.0068256 -0.0457322 2.6177238 2 Ba 2.6641002 -0.1611697 0.0269606 -0.1632058 2.5047377 0.0546364 -0.0068256 0.0457322 2.6177238 3 Ba 2.6641002 0.1611697 0.0269606 0.1632058 2.5047377 -0.0546364 -0.0068256 -0.0457322 2.6177238 4 Ba 2.6641002 -0.1611697 0.0269606 -0.1632058 2.5047377 0.0546364 -0.0068256 0.0457322 2.6177238 5 Ba 2.4544764 0.0077532 -0.1426989 -0.0135186 2.6992210 -0.0397806 -0.1219437 0.0060862 2.7184992 6 Ba 2.4544764 -0.0077532 -0.1426989 0.0135186 2.6992210 0.0397806 -0.1219437 -0.0060862 2.7184992 7 Ba 2.4544764 0.0077532 -0.1426989 -0.0135186 2.6992210 -0.0397806 -0.1219437 0.0060862 2.7184992 8 Ba 2.4544764 -0.0077532 -0.1426989 0.0135186 2.6992210 0.0397806 -0.1219437 -0.0060862 2.7184992 9 H 0.3930336 0.2311471 -0.2071945 0.2127670 0.6277852 -0.3682621 -0.2205698 -0.3773122 0.5774704 10 H 0.3930336 -0.2311471 -0.2071945 -0.2127670 0.6277852 0.3682621 -0.2205698 0.3773122 0.5774704 11 H 0.3930336 0.2311471 -0.2071945 0.2127670 0.6277852 -0.3682621 -0.2205698 -0.3773122 0.5774704 12 H 0.3930336 -0.2311471 -0.2071945 -0.2127670 0.6277852 0.3682621 -0.2205698 0.3773122 0.5774704 13 H 0.9127840 -0.0185994 -0.5557335 -0.0496756 0.2797940 0.0000603 -0.5072698 -0.0123884 0.6241095 14 H 0.9127840 0.0185994 -0.5557335 0.0496756 0.2797940 -0.0000603 -0.5072698 0.0123884 0.6241095 15 H 0.9127840 -0.0185994 -0.5557335 -0.0496756 0.2797940 0.0000603 -0.5072698 -0.0123884 0.6241095 16 H 0.9127840 0.0185994 -0.5557335 0.0496756 0.2797940 -0.0000603 -0.5072698 0.0123884 0.6241095 17 H 0.3098596 0.0901823 -0.0205591 0.1014025 0.6533477 0.0617254 -0.0299099 0.0319161 0.3208310 18 H 0.3098596 -0.0901823 -0.0205591 -0.1014025 0.6533477 -0.0617254 -0.0299099 -0.0319161 0.3208310 19 H 0.3098596 0.0901823 -0.0205591 0.1014025 0.6533477 0.0617254 -0.0299099 0.0319161 0.3208310 20 H 0.3098596 -0.0901823 -0.0205591 -0.1014025 0.6533477 -0.0617254 -0.0299099 -0.0319161 0.3208310 21 H 0.4942728 -0.0922426 0.3226856 -0.0881859 0.2677090 -0.2301486 0.3062029 -0.2106476 0.7989651 22 H 0.4942728 0.0922426 0.3226856 0.0881859 0.2677090 0.2301486 0.3062029 0.2106476 0.7989651 23 H 0.4942728 -0.0922426 0.3226856 -0.0881859 0.2677090 -0.2301486 0.3062029 -0.2106476 0.7989651 24 H 0.4942728 0.0922426 0.3226856 0.0881859 0.2677090 0.2301486 0.3062029 0.2106476 0.7989651 25 O -1.5771052 -0.0668927 0.1049294 -0.0287534 -1.9273660 0.1692569 0.0857126 0.1123242 -2.0925074 26 O -1.5771052 0.0668927 0.1049294 0.0287534 -1.9273660 -0.1692569 0.0857126 -0.1123242 -2.0925074 27 O -1.5771052 -0.0668927 0.1049294 -0.0287534 -1.9273660 0.1692569 0.0857126 0.1123242 -2.0925074 28 O -1.5771052 0.0668927 0.1049294 0.0287534 -1.9273660 -0.1692569 0.0857126 -0.1123242 -2.0925074 29 O -2.0137897 0.0261866 0.1179789 0.0649312 -1.7940356 0.0014142 0.1225472 0.0291835 -1.9387328 30 O -2.0137897 -0.0261866 0.1179789 -0.0649312 -1.7940356 -0.0014142 0.1225472 -0.0291835 -1.9387328 31 O -2.0137897 0.0261866 0.1179789 0.0649312 -1.7940356 0.0014142 0.1225472 0.0291835 -1.9387328 32 O -2.0137897 -0.0261866 0.1179789 -0.0649312 -1.7940356 -0.0014142 0.1225472 -0.0291835 -1.9387328 33 O -1.9025500 0.0157265 0.2569029 0.0087593 -1.5605120 -0.0000943 0.2208490 0.0825780 -1.6596443 34 O -1.9025500 -0.0157265 0.2569029 -0.0087593 -1.5605120 0.0000943 0.2208490 -0.0825780 -1.6596443 35 O -1.9025500 0.0157265 0.2569029 0.0087593 -1.5605120 -0.0000943 0.2208490 0.0825780 -1.6596443 36 O -1.9025500 -0.0157265 0.2569029 -0.0087593 -1.5605120 0.0000943 0.2208490 -0.0825780 -1.6596443 37 O -1.7350817 0.1930207 0.0967286 0.1834621 -1.7506809 0.0284248 0.1512071 -0.0101601 -1.9667145 38 O -1.7350817 -0.1930207 0.0967286 -0.1834621 -1.7506809 -0.0284248 0.1512071 0.0101601 -1.9667145 39 O -1.7350817 0.1930207 0.0967286 0.1834621 -1.7506809 0.0284248 0.1512071 -0.0101601 -1.9667145 40 O -1.7350817 -0.1930207 0.0967286 -0.1834621 -1.7506809 -0.0284248 0.1512071 0.0101601 -1.9667145 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.730 Solver_block: 200 / 1200 - Time: 0.625 Solver_block: 300 / 1200 - Time: 0.613 Solver_block: 400 / 1200 - Time: 0.624 Solver_block: 500 / 1200 - Time: 0.628 Solver_block: 600 / 1200 - Time: 0.628 Solver_block: 700 / 1200 - Time: 0.627 Solver_block: 800 / 1200 - Time: 0.630 Solver_block: 900 / 1200 - Time: 0.625 Solver_block: 1000 / 1200 - Time: 0.635 Solver_block: 1100 / 1200 - Time: 0.624 Solver_block: 1200 / 1200 - Time: 0.623 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.790 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), 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 2026-01-08 20:40:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:40:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.936763080372210 0.000000000000000 0.000000000000000 b 0.000000000000000 7.935548510000000 0.000000000000000 c -5.925776280882708 0.000000000000000 8.831733533588013 Atomic positions (fractional): 1 Ba 0.13941017333218 0.12634040680741 0.39650497096480 137.327 2 Ba 0.13941017333218 0.37365959319259 0.89650497096480 137.327 3 Ba 0.86058982666782 0.87365959319259 0.60349502903520 137.327 4 Ba 0.86058982666782 0.62634040680741 0.10349502903520 137.327 5 Ba 0.58520714988588 0.02843406356213 0.83307131004446 137.327 6 Ba 0.58520714988588 0.47156593643787 0.33307131004446 137.327 7 Ba 0.41479285011412 0.97156593643787 0.16692868995554 137.327 8 Ba 0.41479285011412 0.52843406356213 0.66692868995554 137.327 9 H 0.80604572360074 0.90028657391408 0.21033657700579 1.008 10 H 0.80604572360074 0.59971342608592 0.71033657700579 1.008 11 H 0.19395427639926 0.09971342608592 0.78966342299421 1.008 12 H 0.19395427639926 0.40028657391408 0.28966342299421 1.008 13 H 0.30704688968693 0.83818945362980 0.52327235753674 1.008 14 H 0.30704688968693 0.66181054637020 0.02327235753674 1.008 15 H 0.69295311031307 0.16181054637020 0.47672764246326 1.008 16 H 0.69295311031307 0.33818945362980 0.97672764246326 1.008 17 H 0.32170349025032 0.72336160244697 0.37312219514219 1.008 18 H 0.32170349025032 0.77663839755303 0.87312219514219 1.008 19 H 0.67829650974968 0.27663839755303 0.62687780485781 1.008 20 H 0.67829650974968 0.22336160244697 0.12687780485781 1.008 21 H 0.96677940707089 0.73315627750003 0.90965697775986 1.008 22 H 0.96677940707089 0.76684372249997 0.40965697775986 1.008 23 H 0.03322059292911 0.26684372249997 0.09034302224014 1.008 24 H 0.03322059292911 0.23315627750003 0.59034302224014 1.008 25 O 0.78956686145299 0.98005263036787 0.13147925395585 15.999 26 O 0.78956686145299 0.51994736963213 0.63147925395585 15.999 27 O 0.21043313854701 0.01994736963213 0.86852074604415 15.999 28 O 0.21043313854701 0.48005263036787 0.36852074604415 15.999 29 O 0.23508067666661 0.84622815170741 0.58372911175028 15.999 30 O 0.23508067666661 0.65377184829259 0.08372911175028 15.999 31 O 0.76491932333339 0.15377184829259 0.41627088824972 15.999 32 O 0.76491932333339 0.34622815170741 0.91627088824972 15.999 33 O 0.38562105235628 0.83887678528916 0.39902201654796 15.999 34 O 0.38562105235628 0.66112321471084 0.89902201654796 15.999 35 O 0.61437894764372 0.16112321471084 0.60097798345204 15.999 36 O 0.61437894764372 0.33887678528916 0.10097798345204 15.999 37 O 0.80019073333052 0.74843900245385 0.82590283549621 15.999 38 O 0.80019073333052 0.75156099754615 0.32590283549621 15.999 39 O 0.19980926666948 0.25156099754615 0.17409716450379 15.999 40 O 0.19980926666948 0.24843900245385 0.67409716450379 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.873526160744420 0.000000000000000 0.000000000000000 b 0.000000000000000 7.935548510000000 0.000000000000000 c -5.925776280882708 0.000000000000000 8.831733533588013 Atomic positions (fractional): 1 Ba 0.06970508666609 0.12634040680741 0.39650497096480 137.327 > 1 2 Ba 0.56970508666609 0.12634040680741 0.39650497096480 137.327 > 1 3 Ba 0.06970508666609 0.37365959319259 0.89650497096480 137.327 > 3 4 Ba 0.56970508666609 0.37365959319259 0.89650497096480 137.327 > 3 5 Ba 0.43029491333391 0.87365959319259 0.60349502903520 137.327 > 5 6 Ba 0.93029491333391 0.87365959319259 0.60349502903520 137.327 > 5 7 Ba 0.43029491333391 0.62634040680741 0.10349502903520 137.327 > 7 8 Ba 0.93029491333391 0.62634040680741 0.10349502903520 137.327 > 7 9 Ba 0.29260357494294 0.02843406356213 0.83307131004446 137.327 > 9 10 Ba 0.79260357494294 0.02843406356213 0.83307131004446 137.327 > 9 11 Ba 0.29260357494294 0.47156593643787 0.33307131004446 137.327 > 11 12 Ba 0.79260357494294 0.47156593643787 0.33307131004446 137.327 > 11 13 Ba 0.20739642505706 0.97156593643787 0.16692868995554 137.327 > 13 14 Ba 0.70739642505706 0.97156593643787 0.16692868995554 137.327 > 13 15 Ba 0.20739642505706 0.52843406356213 0.66692868995554 137.327 > 15 16 Ba 0.70739642505706 0.52843406356213 0.66692868995554 137.327 > 15 17 H 0.40302286180037 0.90028657391408 0.21033657700579 1.008 > 17 18 H 0.90302286180037 0.90028657391408 0.21033657700579 1.008 > 17 19 H 0.40302286180037 0.59971342608592 0.71033657700579 1.008 > 19 20 H 0.90302286180037 0.59971342608592 0.71033657700579 1.008 > 19 21 H 0.09697713819963 0.09971342608592 0.78966342299421 1.008 > 21 22 H 0.59697713819963 0.09971342608592 0.78966342299421 1.008 > 21 23 H 0.09697713819963 0.40028657391408 0.28966342299421 1.008 > 23 24 H 0.59697713819963 0.40028657391408 0.28966342299421 1.008 > 23 25 H 0.15352344484346 0.83818945362980 0.52327235753674 1.008 > 25 26 H 0.65352344484346 0.83818945362980 0.52327235753674 1.008 > 25 27 H 0.15352344484346 0.66181054637020 0.02327235753674 1.008 > 27 28 H 0.65352344484346 0.66181054637020 0.02327235753674 1.008 > 27 29 H 0.34647655515654 0.16181054637020 0.47672764246326 1.008 > 29 30 H 0.84647655515654 0.16181054637020 0.47672764246326 1.008 > 29 31 H 0.34647655515654 0.33818945362980 0.97672764246326 1.008 > 31 32 H 0.84647655515654 0.33818945362980 0.97672764246326 1.008 > 31 33 H 0.16085174512516 0.72336160244697 0.37312219514219 1.008 > 33 34 H 0.66085174512516 0.72336160244697 0.37312219514219 1.008 > 33 35 H 0.16085174512516 0.77663839755303 0.87312219514219 1.008 > 35 36 H 0.66085174512516 0.77663839755303 0.87312219514219 1.008 > 35 37 H 0.33914825487484 0.27663839755303 0.62687780485781 1.008 > 37 38 H 0.83914825487484 0.27663839755303 0.62687780485781 1.008 > 37 39 H 0.33914825487484 0.22336160244697 0.12687780485781 1.008 > 39 40 H 0.83914825487484 0.22336160244697 0.12687780485781 1.008 > 39 41 H 0.48338970353545 0.73315627750003 0.90965697775986 1.008 > 41 42 H 0.98338970353545 0.73315627750003 0.90965697775986 1.008 > 41 43 H 0.48338970353545 0.76684372249997 0.40965697775986 1.008 > 43 44 H 0.98338970353545 0.76684372249997 0.40965697775986 1.008 > 43 45 H 0.01661029646455 0.26684372249997 0.09034302224014 1.008 > 45 46 H 0.51661029646455 0.26684372249997 0.09034302224014 1.008 > 45 47 H 0.01661029646455 0.23315627750003 0.59034302224014 1.008 > 47 48 H 0.51661029646455 0.23315627750003 0.59034302224014 1.008 > 47 49 O 0.39478343072650 0.98005263036787 0.13147925395585 15.999 > 49 50 O 0.89478343072650 0.98005263036787 0.13147925395585 15.999 > 49 51 O 0.39478343072650 0.51994736963213 0.63147925395585 15.999 > 51 52 O 0.89478343072650 0.51994736963213 0.63147925395585 15.999 > 51 53 O 0.10521656927350 0.01994736963213 0.86852074604415 15.999 > 53 54 O 0.60521656927350 0.01994736963213 0.86852074604415 15.999 > 53 55 O 0.10521656927350 0.48005263036787 0.36852074604415 15.999 > 55 56 O 0.60521656927350 0.48005263036787 0.36852074604415 15.999 > 55 57 O 0.11754033833330 0.84622815170741 0.58372911175028 15.999 > 57 58 O 0.61754033833330 0.84622815170741 0.58372911175028 15.999 > 57 59 O 0.11754033833330 0.65377184829259 0.08372911175028 15.999 > 59 60 O 0.61754033833330 0.65377184829259 0.08372911175028 15.999 > 59 61 O 0.38245966166670 0.15377184829259 0.41627088824972 15.999 > 61 62 O 0.88245966166670 0.15377184829259 0.41627088824972 15.999 > 61 63 O 0.38245966166670 0.34622815170741 0.91627088824972 15.999 > 63 64 O 0.88245966166670 0.34622815170741 0.91627088824972 15.999 > 63 65 O 0.19281052617814 0.83887678528916 0.39902201654796 15.999 > 65 66 O 0.69281052617814 0.83887678528916 0.39902201654796 15.999 > 65 67 O 0.19281052617814 0.66112321471084 0.89902201654796 15.999 > 67 68 O 0.69281052617814 0.66112321471084 0.89902201654796 15.999 > 67 69 O 0.30718947382186 0.16112321471084 0.60097798345204 15.999 > 69 70 O 0.80718947382186 0.16112321471084 0.60097798345204 15.999 > 69 71 O 0.30718947382186 0.33887678528916 0.10097798345204 15.999 > 71 72 O 0.80718947382186 0.33887678528916 0.10097798345204 15.999 > 71 73 O 0.40009536666526 0.74843900245385 0.82590283549621 15.999 > 73 74 O 0.90009536666526 0.74843900245385 0.82590283549621 15.999 > 73 75 O 0.40009536666526 0.75156099754615 0.32590283549621 15.999 > 75 76 O 0.90009536666526 0.75156099754615 0.32590283549621 15.999 > 75 77 O 0.09990463333474 0.25156099754615 0.17409716450379 15.999 > 77 78 O 0.59990463333474 0.25156099754615 0.17409716450379 15.999 > 77 79 O 0.09990463333474 0.24843900245385 0.67409716450379 15.999 > 79 80 O 0.59990463333474 0.24843900245385 0.67409716450379 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2589265 0.0000000 -0.0627876 0.0000000 3.2971303 0.0000000 -0.0627878 0.0000000 3.3228108 -------------------------- Born effective charges -------------------------- 1 Ba 2.6641002 0.1611697 0.0269606 0.1632058 2.5047377 -0.0546364 -0.0068256 -0.0457322 2.6177238 2 Ba 2.6641002 -0.1611697 0.0269606 -0.1632058 2.5047377 0.0546364 -0.0068256 0.0457322 2.6177238 3 Ba 2.6641002 0.1611697 0.0269606 0.1632058 2.5047377 -0.0546364 -0.0068256 -0.0457322 2.6177238 4 Ba 2.6641002 -0.1611697 0.0269606 -0.1632058 2.5047377 0.0546364 -0.0068256 0.0457322 2.6177238 5 Ba 2.4544764 0.0077532 -0.1426989 -0.0135186 2.6992210 -0.0397806 -0.1219437 0.0060862 2.7184992 6 Ba 2.4544764 -0.0077532 -0.1426989 0.0135186 2.6992210 0.0397806 -0.1219437 -0.0060862 2.7184992 7 Ba 2.4544764 0.0077532 -0.1426989 -0.0135186 2.6992210 -0.0397806 -0.1219437 0.0060862 2.7184992 8 Ba 2.4544764 -0.0077532 -0.1426989 0.0135186 2.6992210 0.0397806 -0.1219437 -0.0060862 2.7184992 9 H 0.3930336 0.2311471 -0.2071945 0.2127670 0.6277852 -0.3682621 -0.2205698 -0.3773122 0.5774704 10 H 0.3930336 -0.2311471 -0.2071945 -0.2127670 0.6277852 0.3682621 -0.2205698 0.3773122 0.5774704 11 H 0.3930336 0.2311471 -0.2071945 0.2127670 0.6277852 -0.3682621 -0.2205698 -0.3773122 0.5774704 12 H 0.3930336 -0.2311471 -0.2071945 -0.2127670 0.6277852 0.3682621 -0.2205698 0.3773122 0.5774704 13 H 0.9127840 -0.0185994 -0.5557335 -0.0496756 0.2797940 0.0000603 -0.5072698 -0.0123884 0.6241095 14 H 0.9127840 0.0185994 -0.5557335 0.0496756 0.2797940 -0.0000603 -0.5072698 0.0123884 0.6241095 15 H 0.9127840 -0.0185994 -0.5557335 -0.0496756 0.2797940 0.0000603 -0.5072698 -0.0123884 0.6241095 16 H 0.9127840 0.0185994 -0.5557335 0.0496756 0.2797940 -0.0000603 -0.5072698 0.0123884 0.6241095 17 H 0.3098596 0.0901823 -0.0205591 0.1014025 0.6533477 0.0617254 -0.0299099 0.0319161 0.3208310 18 H 0.3098596 -0.0901823 -0.0205591 -0.1014025 0.6533477 -0.0617254 -0.0299099 -0.0319161 0.3208310 19 H 0.3098596 0.0901823 -0.0205591 0.1014025 0.6533477 0.0617254 -0.0299099 0.0319161 0.3208310 20 H 0.3098596 -0.0901823 -0.0205591 -0.1014025 0.6533477 -0.0617254 -0.0299099 -0.0319161 0.3208310 21 H 0.4942728 -0.0922426 0.3226856 -0.0881859 0.2677090 -0.2301486 0.3062029 -0.2106476 0.7989651 22 H 0.4942728 0.0922426 0.3226856 0.0881859 0.2677090 0.2301486 0.3062029 0.2106476 0.7989651 23 H 0.4942728 -0.0922426 0.3226856 -0.0881859 0.2677090 -0.2301486 0.3062029 -0.2106476 0.7989651 24 H 0.4942728 0.0922426 0.3226856 0.0881859 0.2677090 0.2301486 0.3062029 0.2106476 0.7989651 25 O -1.5771052 -0.0668927 0.1049294 -0.0287534 -1.9273660 0.1692569 0.0857126 0.1123242 -2.0925074 26 O -1.5771052 0.0668927 0.1049294 0.0287534 -1.9273660 -0.1692569 0.0857126 -0.1123242 -2.0925074 27 O -1.5771052 -0.0668927 0.1049294 -0.0287534 -1.9273660 0.1692569 0.0857126 0.1123242 -2.0925074 28 O -1.5771052 0.0668927 0.1049294 0.0287534 -1.9273660 -0.1692569 0.0857126 -0.1123242 -2.0925074 29 O -2.0137897 0.0261866 0.1179789 0.0649312 -1.7940356 0.0014142 0.1225472 0.0291835 -1.9387328 30 O -2.0137897 -0.0261866 0.1179789 -0.0649312 -1.7940356 -0.0014142 0.1225472 -0.0291835 -1.9387328 31 O -2.0137897 0.0261866 0.1179789 0.0649312 -1.7940356 0.0014142 0.1225472 0.0291835 -1.9387328 32 O -2.0137897 -0.0261866 0.1179789 -0.0649312 -1.7940356 -0.0014142 0.1225472 -0.0291835 -1.9387328 33 O -1.9025500 0.0157265 0.2569029 0.0087593 -1.5605120 -0.0000943 0.2208490 0.0825780 -1.6596443 34 O -1.9025500 -0.0157265 0.2569029 -0.0087593 -1.5605120 0.0000943 0.2208490 -0.0825780 -1.6596443 35 O -1.9025500 0.0157265 0.2569029 0.0087593 -1.5605120 -0.0000943 0.2208490 0.0825780 -1.6596443 36 O -1.9025500 -0.0157265 0.2569029 -0.0087593 -1.5605120 0.0000943 0.2208490 -0.0825780 -1.6596443 37 O -1.7350817 0.1930207 0.0967286 0.1834621 -1.7506809 0.0284248 0.1512071 -0.0101601 -1.9667145 38 O -1.7350817 -0.1930207 0.0967286 -0.1834621 -1.7506809 -0.0284248 0.1512071 0.0101601 -1.9667145 39 O -1.7350817 0.1930207 0.0967286 0.1834621 -1.7506809 0.0284248 0.1512071 -0.0101601 -1.9667145 40 O -1.7350817 -0.1930207 0.0967286 -0.1834621 -1.7506809 -0.0284248 0.1512071 0.0101601 -1.9667145 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:41:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:41:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.936763080372210 0.000000000000000 0.000000000000000 b 0.000000000000000 7.935548510000000 0.000000000000000 c -5.925776280882708 0.000000000000000 8.831733533588013 Atomic positions (fractional): 1 Ba 0.13941017333218 0.12634040680741 0.39650497096480 137.327 2 Ba 0.13941017333218 0.37365959319259 0.89650497096480 137.327 3 Ba 0.86058982666782 0.87365959319259 0.60349502903520 137.327 4 Ba 0.86058982666782 0.62634040680741 0.10349502903520 137.327 5 Ba 0.58520714988588 0.02843406356213 0.83307131004446 137.327 6 Ba 0.58520714988588 0.47156593643787 0.33307131004446 137.327 7 Ba 0.41479285011412 0.97156593643787 0.16692868995554 137.327 8 Ba 0.41479285011412 0.52843406356213 0.66692868995554 137.327 9 H 0.80604572360074 0.90028657391408 0.21033657700579 1.008 10 H 0.80604572360074 0.59971342608592 0.71033657700579 1.008 11 H 0.19395427639926 0.09971342608592 0.78966342299421 1.008 12 H 0.19395427639926 0.40028657391408 0.28966342299421 1.008 13 H 0.30704688968693 0.83818945362980 0.52327235753674 1.008 14 H 0.30704688968693 0.66181054637020 0.02327235753674 1.008 15 H 0.69295311031307 0.16181054637020 0.47672764246326 1.008 16 H 0.69295311031307 0.33818945362980 0.97672764246326 1.008 17 H 0.32170349025032 0.72336160244697 0.37312219514219 1.008 18 H 0.32170349025032 0.77663839755303 0.87312219514219 1.008 19 H 0.67829650974968 0.27663839755303 0.62687780485781 1.008 20 H 0.67829650974968 0.22336160244697 0.12687780485781 1.008 21 H 0.96677940707089 0.73315627750003 0.90965697775986 1.008 22 H 0.96677940707089 0.76684372249997 0.40965697775986 1.008 23 H 0.03322059292911 0.26684372249997 0.09034302224014 1.008 24 H 0.03322059292911 0.23315627750003 0.59034302224014 1.008 25 O 0.78956686145299 0.98005263036787 0.13147925395585 15.999 26 O 0.78956686145299 0.51994736963213 0.63147925395585 15.999 27 O 0.21043313854701 0.01994736963213 0.86852074604415 15.999 28 O 0.21043313854701 0.48005263036787 0.36852074604415 15.999 29 O 0.23508067666661 0.84622815170741 0.58372911175028 15.999 30 O 0.23508067666661 0.65377184829259 0.08372911175028 15.999 31 O 0.76491932333339 0.15377184829259 0.41627088824972 15.999 32 O 0.76491932333339 0.34622815170741 0.91627088824972 15.999 33 O 0.38562105235628 0.83887678528916 0.39902201654796 15.999 34 O 0.38562105235628 0.66112321471084 0.89902201654796 15.999 35 O 0.61437894764372 0.16112321471084 0.60097798345204 15.999 36 O 0.61437894764372 0.33887678528916 0.10097798345204 15.999 37 O 0.80019073333052 0.74843900245385 0.82590283549621 15.999 38 O 0.80019073333052 0.75156099754615 0.32590283549621 15.999 39 O 0.19980926666948 0.25156099754615 0.17409716450379 15.999 40 O 0.19980926666948 0.24843900245385 0.67409716450379 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.873526160744420 0.000000000000000 0.000000000000000 b 0.000000000000000 7.935548510000000 0.000000000000000 c -5.925776280882708 0.000000000000000 8.831733533588013 Atomic positions (fractional): 1 Ba 0.06970508666609 0.12634040680741 0.39650497096480 137.327 > 1 2 Ba 0.56970508666609 0.12634040680741 0.39650497096480 137.327 > 1 3 Ba 0.06970508666609 0.37365959319259 0.89650497096480 137.327 > 3 4 Ba 0.56970508666609 0.37365959319259 0.89650497096480 137.327 > 3 5 Ba 0.43029491333391 0.87365959319259 0.60349502903520 137.327 > 5 6 Ba 0.93029491333391 0.87365959319259 0.60349502903520 137.327 > 5 7 Ba 0.43029491333391 0.62634040680741 0.10349502903520 137.327 > 7 8 Ba 0.93029491333391 0.62634040680741 0.10349502903520 137.327 > 7 9 Ba 0.29260357494294 0.02843406356213 0.83307131004446 137.327 > 9 10 Ba 0.79260357494294 0.02843406356213 0.83307131004446 137.327 > 9 11 Ba 0.29260357494294 0.47156593643787 0.33307131004446 137.327 > 11 12 Ba 0.79260357494294 0.47156593643787 0.33307131004446 137.327 > 11 13 Ba 0.20739642505706 0.97156593643787 0.16692868995554 137.327 > 13 14 Ba 0.70739642505706 0.97156593643787 0.16692868995554 137.327 > 13 15 Ba 0.20739642505706 0.52843406356213 0.66692868995554 137.327 > 15 16 Ba 0.70739642505706 0.52843406356213 0.66692868995554 137.327 > 15 17 H 0.40302286180037 0.90028657391408 0.21033657700579 1.008 > 17 18 H 0.90302286180037 0.90028657391408 0.21033657700579 1.008 > 17 19 H 0.40302286180037 0.59971342608592 0.71033657700579 1.008 > 19 20 H 0.90302286180037 0.59971342608592 0.71033657700579 1.008 > 19 21 H 0.09697713819963 0.09971342608592 0.78966342299421 1.008 > 21 22 H 0.59697713819963 0.09971342608592 0.78966342299421 1.008 > 21 23 H 0.09697713819963 0.40028657391408 0.28966342299421 1.008 > 23 24 H 0.59697713819963 0.40028657391408 0.28966342299421 1.008 > 23 25 H 0.15352344484346 0.83818945362980 0.52327235753674 1.008 > 25 26 H 0.65352344484346 0.83818945362980 0.52327235753674 1.008 > 25 27 H 0.15352344484346 0.66181054637020 0.02327235753674 1.008 > 27 28 H 0.65352344484346 0.66181054637020 0.02327235753674 1.008 > 27 29 H 0.34647655515654 0.16181054637020 0.47672764246326 1.008 > 29 30 H 0.84647655515654 0.16181054637020 0.47672764246326 1.008 > 29 31 H 0.34647655515654 0.33818945362980 0.97672764246326 1.008 > 31 32 H 0.84647655515654 0.33818945362980 0.97672764246326 1.008 > 31 33 H 0.16085174512516 0.72336160244697 0.37312219514219 1.008 > 33 34 H 0.66085174512516 0.72336160244697 0.37312219514219 1.008 > 33 35 H 0.16085174512516 0.77663839755303 0.87312219514219 1.008 > 35 36 H 0.66085174512516 0.77663839755303 0.87312219514219 1.008 > 35 37 H 0.33914825487484 0.27663839755303 0.62687780485781 1.008 > 37 38 H 0.83914825487484 0.27663839755303 0.62687780485781 1.008 > 37 39 H 0.33914825487484 0.22336160244697 0.12687780485781 1.008 > 39 40 H 0.83914825487484 0.22336160244697 0.12687780485781 1.008 > 39 41 H 0.48338970353545 0.73315627750003 0.90965697775986 1.008 > 41 42 H 0.98338970353545 0.73315627750003 0.90965697775986 1.008 > 41 43 H 0.48338970353545 0.76684372249997 0.40965697775986 1.008 > 43 44 H 0.98338970353545 0.76684372249997 0.40965697775986 1.008 > 43 45 H 0.01661029646455 0.26684372249997 0.09034302224014 1.008 > 45 46 H 0.51661029646455 0.26684372249997 0.09034302224014 1.008 > 45 47 H 0.01661029646455 0.23315627750003 0.59034302224014 1.008 > 47 48 H 0.51661029646455 0.23315627750003 0.59034302224014 1.008 > 47 49 O 0.39478343072650 0.98005263036787 0.13147925395585 15.999 > 49 50 O 0.89478343072650 0.98005263036787 0.13147925395585 15.999 > 49 51 O 0.39478343072650 0.51994736963213 0.63147925395585 15.999 > 51 52 O 0.89478343072650 0.51994736963213 0.63147925395585 15.999 > 51 53 O 0.10521656927350 0.01994736963213 0.86852074604415 15.999 > 53 54 O 0.60521656927350 0.01994736963213 0.86852074604415 15.999 > 53 55 O 0.10521656927350 0.48005263036787 0.36852074604415 15.999 > 55 56 O 0.60521656927350 0.48005263036787 0.36852074604415 15.999 > 55 57 O 0.11754033833330 0.84622815170741 0.58372911175028 15.999 > 57 58 O 0.61754033833330 0.84622815170741 0.58372911175028 15.999 > 57 59 O 0.11754033833330 0.65377184829259 0.08372911175028 15.999 > 59 60 O 0.61754033833330 0.65377184829259 0.08372911175028 15.999 > 59 61 O 0.38245966166670 0.15377184829259 0.41627088824972 15.999 > 61 62 O 0.88245966166670 0.15377184829259 0.41627088824972 15.999 > 61 63 O 0.38245966166670 0.34622815170741 0.91627088824972 15.999 > 63 64 O 0.88245966166670 0.34622815170741 0.91627088824972 15.999 > 63 65 O 0.19281052617814 0.83887678528916 0.39902201654796 15.999 > 65 66 O 0.69281052617814 0.83887678528916 0.39902201654796 15.999 > 65 67 O 0.19281052617814 0.66112321471084 0.89902201654796 15.999 > 67 68 O 0.69281052617814 0.66112321471084 0.89902201654796 15.999 > 67 69 O 0.30718947382186 0.16112321471084 0.60097798345204 15.999 > 69 70 O 0.80718947382186 0.16112321471084 0.60097798345204 15.999 > 69 71 O 0.30718947382186 0.33887678528916 0.10097798345204 15.999 > 71 72 O 0.80718947382186 0.33887678528916 0.10097798345204 15.999 > 71 73 O 0.40009536666526 0.74843900245385 0.82590283549621 15.999 > 73 74 O 0.90009536666526 0.74843900245385 0.82590283549621 15.999 > 73 75 O 0.40009536666526 0.75156099754615 0.32590283549621 15.999 > 75 76 O 0.90009536666526 0.75156099754615 0.32590283549621 15.999 > 75 77 O 0.09990463333474 0.25156099754615 0.17409716450379 15.999 > 77 78 O 0.59990463333474 0.25156099754615 0.17409716450379 15.999 > 77 79 O 0.09990463333474 0.24843900245385 0.67409716450379 15.999 > 79 80 O 0.59990463333474 0.24843900245385 0.67409716450379 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2589265 0.0000000 -0.0627876 0.0000000 3.2971303 0.0000000 -0.0627878 0.0000000 3.3228108 -------------------------- Born effective charges -------------------------- 1 Ba 2.6641002 0.1611697 0.0269606 0.1632058 2.5047377 -0.0546364 -0.0068256 -0.0457322 2.6177238 2 Ba 2.6641002 -0.1611697 0.0269606 -0.1632058 2.5047377 0.0546364 -0.0068256 0.0457322 2.6177238 3 Ba 2.6641002 0.1611697 0.0269606 0.1632058 2.5047377 -0.0546364 -0.0068256 -0.0457322 2.6177238 4 Ba 2.6641002 -0.1611697 0.0269606 -0.1632058 2.5047377 0.0546364 -0.0068256 0.0457322 2.6177238 5 Ba 2.4544764 0.0077532 -0.1426989 -0.0135186 2.6992210 -0.0397806 -0.1219437 0.0060862 2.7184992 6 Ba 2.4544764 -0.0077532 -0.1426989 0.0135186 2.6992210 0.0397806 -0.1219437 -0.0060862 2.7184992 7 Ba 2.4544764 0.0077532 -0.1426989 -0.0135186 2.6992210 -0.0397806 -0.1219437 0.0060862 2.7184992 8 Ba 2.4544764 -0.0077532 -0.1426989 0.0135186 2.6992210 0.0397806 -0.1219437 -0.0060862 2.7184992 9 H 0.3930336 0.2311471 -0.2071945 0.2127670 0.6277852 -0.3682621 -0.2205698 -0.3773122 0.5774704 10 H 0.3930336 -0.2311471 -0.2071945 -0.2127670 0.6277852 0.3682621 -0.2205698 0.3773122 0.5774704 11 H 0.3930336 0.2311471 -0.2071945 0.2127670 0.6277852 -0.3682621 -0.2205698 -0.3773122 0.5774704 12 H 0.3930336 -0.2311471 -0.2071945 -0.2127670 0.6277852 0.3682621 -0.2205698 0.3773122 0.5774704 13 H 0.9127840 -0.0185994 -0.5557335 -0.0496756 0.2797940 0.0000603 -0.5072698 -0.0123884 0.6241095 14 H 0.9127840 0.0185994 -0.5557335 0.0496756 0.2797940 -0.0000603 -0.5072698 0.0123884 0.6241095 15 H 0.9127840 -0.0185994 -0.5557335 -0.0496756 0.2797940 0.0000603 -0.5072698 -0.0123884 0.6241095 16 H 0.9127840 0.0185994 -0.5557335 0.0496756 0.2797940 -0.0000603 -0.5072698 0.0123884 0.6241095 17 H 0.3098596 0.0901823 -0.0205591 0.1014025 0.6533477 0.0617254 -0.0299099 0.0319161 0.3208310 18 H 0.3098596 -0.0901823 -0.0205591 -0.1014025 0.6533477 -0.0617254 -0.0299099 -0.0319161 0.3208310 19 H 0.3098596 0.0901823 -0.0205591 0.1014025 0.6533477 0.0617254 -0.0299099 0.0319161 0.3208310 20 H 0.3098596 -0.0901823 -0.0205591 -0.1014025 0.6533477 -0.0617254 -0.0299099 -0.0319161 0.3208310 21 H 0.4942728 -0.0922426 0.3226856 -0.0881859 0.2677090 -0.2301486 0.3062029 -0.2106476 0.7989651 22 H 0.4942728 0.0922426 0.3226856 0.0881859 0.2677090 0.2301486 0.3062029 0.2106476 0.7989651 23 H 0.4942728 -0.0922426 0.3226856 -0.0881859 0.2677090 -0.2301486 0.3062029 -0.2106476 0.7989651 24 H 0.4942728 0.0922426 0.3226856 0.0881859 0.2677090 0.2301486 0.3062029 0.2106476 0.7989651 25 O -1.5771052 -0.0668927 0.1049294 -0.0287534 -1.9273660 0.1692569 0.0857126 0.1123242 -2.0925074 26 O -1.5771052 0.0668927 0.1049294 0.0287534 -1.9273660 -0.1692569 0.0857126 -0.1123242 -2.0925074 27 O -1.5771052 -0.0668927 0.1049294 -0.0287534 -1.9273660 0.1692569 0.0857126 0.1123242 -2.0925074 28 O -1.5771052 0.0668927 0.1049294 0.0287534 -1.9273660 -0.1692569 0.0857126 -0.1123242 -2.0925074 29 O -2.0137897 0.0261866 0.1179789 0.0649312 -1.7940356 0.0014142 0.1225472 0.0291835 -1.9387328 30 O -2.0137897 -0.0261866 0.1179789 -0.0649312 -1.7940356 -0.0014142 0.1225472 -0.0291835 -1.9387328 31 O -2.0137897 0.0261866 0.1179789 0.0649312 -1.7940356 0.0014142 0.1225472 0.0291835 -1.9387328 32 O -2.0137897 -0.0261866 0.1179789 -0.0649312 -1.7940356 -0.0014142 0.1225472 -0.0291835 -1.9387328 33 O -1.9025500 0.0157265 0.2569029 0.0087593 -1.5605120 -0.0000943 0.2208490 0.0825780 -1.6596443 34 O -1.9025500 -0.0157265 0.2569029 -0.0087593 -1.5605120 0.0000943 0.2208490 -0.0825780 -1.6596443 35 O -1.9025500 0.0157265 0.2569029 0.0087593 -1.5605120 -0.0000943 0.2208490 0.0825780 -1.6596443 36 O -1.9025500 -0.0157265 0.2569029 -0.0087593 -1.5605120 0.0000943 0.2208490 -0.0825780 -1.6596443 37 O -1.7350817 0.1930207 0.0967286 0.1834621 -1.7506809 0.0284248 0.1512071 -0.0101601 -1.9667145 38 O -1.7350817 -0.1930207 0.0967286 -0.1834621 -1.7506809 -0.0284248 0.1512071 0.0101601 -1.9667145 39 O -1.7350817 0.1930207 0.0967286 0.1834621 -1.7506809 0.0284248 0.1512071 -0.0101601 -1.9667145 40 O -1.7350817 -0.1930207 0.0967286 -0.1834621 -1.7506809 -0.0284248 0.1512071 0.0101601 -1.9667145 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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 ... [ 9 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 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 1.770 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.695 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.994 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.393 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 21.258 ( 0.000 0.000 0.000) 0.000 21.525 ( 0.000 0.000 0.000) 0.000 21.538 ( 0.000 0.000 0.000) 0.000 21.688 ( 0.000 0.000 0.000) 0.000 22.677 ( 0.000 0.000 0.000) 0.000 22.770 ( 0.000 0.000 0.000) 0.000 22.845 ( 0.000 0.000 0.000) 0.000 22.895 ( 0.000 0.000 0.000) 0.000 23.345 ( 0.000 0.000 0.000) 0.000 23.665 ( 0.000 0.000 0.000) 0.000 23.780 ( 0.000 0.000 0.000) 0.000 23.987 ( 0.000 0.000 0.000) 0.000 26.731 ( 0.000 0.000 0.000) 0.000 26.829 ( 0.000 0.000 0.000) 0.000 27.060 ( 0.000 0.000 0.000) 0.000 27.095 ( 0.000 0.000 0.000) 0.000 29.525 ( 0.000 0.000 0.000) 0.000 29.793 ( 0.000 0.000 0.000) 0.000 29.815 ( 0.000 0.000 0.000) 0.000 30.395 ( 0.000 0.000 0.000) 0.000 31.886 ( 0.000 0.000 0.000) 0.000 31.949 ( 0.000 0.000 0.000) 0.000 32.412 ( 0.000 0.000 0.000) 0.000 32.533 ( 0.000 0.000 0.000) 0.000 33.500 ( 0.000 0.000 0.000) 0.000 33.581 ( 0.000 0.000 0.000) 0.000 33.715 ( 0.000 0.000 0.000) 0.000 33.784 ( 0.000 0.000 0.000) 0.000 35.257 ( 0.000 0.000 0.000) 0.000 35.353 ( 0.000 0.000 0.000) 0.000 35.428 ( 0.000 0.000 0.000) 0.000 35.444 ( 0.000 0.000 0.000) 0.000 88.979 ( 0.000 0.000 0.000) 0.000 89.049 ( 0.000 0.000 0.000) 0.000 89.320 ( 0.000 0.000 0.000) 0.000 89.395 ( 0.000 0.000 0.000) 0.000 92.261 ( 0.000 0.000 0.000) 0.000 92.300 ( 0.000 0.000 0.000) 0.000 92.394 ( 0.000 0.000 0.000) 0.000 92.645 ( 0.000 0.000 0.000) 0.000 97.803 ( 0.000 0.000 0.000) 0.000 97.913 ( 0.000 0.000 0.000) 0.000 97.921 ( 0.000 0.000 0.000) 0.000 98.249 ( 0.000 0.000 0.000) 0.000 103.663 ( 0.000 0.000 0.000) 0.000 103.749 ( 0.000 0.000 0.000) 0.000 103.781 ( 0.000 0.000 0.000) 0.000 103.794 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 24.723 0.000 -7.133) 25.731 0.365 ( 14.335 0.000 12.227) 18.841 0.738 ( 26.506 0.000 26.881) 37.751 1.753 ( -0.095 0.000 -2.928) 2.930 1.850 ( -1.289 0.000 1.274) 1.812 1.888 ( -0.976 0.000 4.060) 4.176 2.149 ( -5.026 0.000 -2.574) 5.646 2.225 ( -3.414 0.000 2.108) 4.012 2.247 ( -0.414 0.000 -8.616) 8.626 2.275 ( -4.293 0.000 0.921) 4.391 2.301 ( 3.323 0.000 2.327) 4.057 2.482 ( -1.940 0.000 4.071) 4.510 2.528 ( -5.083 0.000 -0.625) 5.121 2.648 ( -6.486 0.000 1.439) 6.644 2.732 ( 0.568 0.000 4.457) 4.493 2.818 ( -4.273 0.000 -0.778) 4.343 2.885 ( -0.056 0.000 1.275) 1.276 2.896 ( 4.089 0.000 -2.002) 4.553 3.050 ( 4.705 0.000 -1.349) 4.895 3.179 ( -0.831 0.000 -0.301) 0.884 3.359 ( 3.920 0.000 1.047) 4.058 3.455 ( 3.142 0.000 -2.750) 4.176 3.563 ( -2.124 0.000 -1.304) 2.493 3.606 ( 3.330 0.000 -3.701) 4.979 4.329 ( 0.686 0.000 -2.685) 2.771 4.359 ( 3.256 0.000 3.133) 4.519 4.576 ( -3.095 0.000 2.365) 3.895 4.597 ( -5.386 0.000 0.806) 5.446 4.650 ( -3.836 0.000 -2.596) 4.632 4.824 ( -2.919 0.000 -4.883) 5.689 4.859 ( -0.627 0.000 2.821) 2.890 4.926 ( 1.718 0.000 2.772) 3.261 5.169 ( -2.738 0.000 1.006) 2.917 5.181 ( 3.745 0.000 3.727) 5.283 5.381 ( 2.577 0.000 -2.644) 3.692 5.465 ( -2.471 0.000 -1.667) 2.980 5.530 ( 0.496 0.000 0.690) 0.850 5.548 ( -0.267 0.000 -3.997) 4.006 5.644 ( 3.584 0.000 3.882) 5.283 5.718 ( -7.398 0.000 -1.972) 7.656 5.831 ( 4.389 0.000 -7.002) 8.264 5.890 ( 3.367 0.000 -0.194) 3.372 5.928 ( -10.872 0.000 0.087) 10.873 6.157 ( 5.280 0.000 -0.027) 5.280 6.188 ( 0.353 0.000 6.925) 6.934 6.263 ( -3.042 0.000 10.339) 10.777 6.502 ( -0.393 0.000 0.079) 0.401 6.529 ( 0.228 0.000 2.782) 2.791 6.618 ( 4.156 0.000 -12.989) 13.638 6.817 ( -4.665 0.000 -7.437) 8.779 7.044 ( -1.517 0.000 5.095) 5.316 7.204 ( 5.061 0.000 -13.637) 14.546 7.330 ( -1.447 0.000 4.080) 4.329 7.437 ( 1.426 0.000 -10.655) 10.750 7.589 ( 4.367 0.000 -2.674) 5.121 7.876 ( -13.692 0.000 -1.180) 13.742 8.155 ( 0.455 0.000 2.763) 2.801 8.195 ( -0.593 0.000 -2.754) 2.817 8.489 ( -7.073 0.000 3.508) 7.895 8.497 ( 12.804 0.000 -3.619) 13.306 8.751 ( -0.648 0.000 7.830) 7.856 9.014 ( 6.370 0.000 -1.055) 6.457 9.412 ( -17.380 0.000 4.361) 17.919 9.752 ( -5.240 0.000 15.559) 16.418 9.997 ( -0.111 0.000 0.713) 0.721 10.090 ( 3.703 0.000 8.703) 9.459 10.193 ( -8.141 0.000 4.955) 9.530 10.359 ( -0.979 0.000 0.943) 1.359 10.563 ( 11.631 0.000 0.262) 11.634 10.647 ( 0.214 0.000 -2.314) 2.324 10.724 ( 12.807 0.000 -21.249) 24.810 11.038 ( 0.665 0.000 4.308) 4.359 21.301 ( -7.437 0.000 11.013) 13.289 21.523 ( -0.238 0.000 -0.119) 0.266 21.545 ( -0.039 0.000 1.342) 1.342 21.690 ( 0.046 0.000 0.255) 0.259 22.683 ( 0.100 0.000 0.834) 0.840 22.791 ( -0.743 0.000 -4.368) 4.431 22.881 ( 1.846 0.000 -0.206) 1.858 22.889 ( -0.419 0.000 -0.306) 0.519 23.355 ( 1.002 0.000 0.341) 1.058 23.658 ( -1.060 0.000 0.480) 1.163 23.802 ( 0.543 0.000 -0.595) 0.805 24.004 ( 1.526 0.000 0.736) 1.694 26.733 ( 1.016 0.000 -2.287) 2.502 26.847 ( 1.126 0.000 1.574) 1.935 27.049 ( -1.669 0.000 0.428) 1.723 27.079 ( -1.001 0.000 -1.394) 1.716 29.788 ( -4.060 0.000 4.075) 5.752 29.794 ( -2.001 0.000 -0.739) 2.134 29.849 ( -4.433 0.000 9.341) 10.340 30.337 ( -4.780 0.000 -3.143) 5.721 31.895 ( 0.695 0.000 0.683) 0.975 31.949 ( 0.043 0.000 -0.078) 0.089 32.428 ( 0.766 0.000 1.446) 1.637 32.517 ( -1.517 0.000 -0.605) 1.633 33.534 ( 3.487 0.000 -5.651) 6.641 33.569 ( -0.829 0.000 -0.454) 0.945 33.717 ( 0.509 0.000 -0.475) 0.696 33.806 ( 1.858 0.000 1.015) 2.117 35.265 ( 0.698 0.000 0.407) 0.808 35.356 ( 0.059 0.000 0.358) 0.363 35.410 ( -0.814 0.000 -1.003) 1.291 35.457 ( 1.211 0.000 -0.555) 1.332 89.056 ( 1.573 0.000 -1.178) 1.965 89.183 ( 23.474 0.000 -35.057) 42.190 89.314 ( 1.190 0.000 -1.583) 1.980 89.448 ( 3.574 0.000 2.993) 4.662 92.250 ( -0.381 0.000 -1.223) 1.281 92.322 ( 2.084 0.000 1.058) 2.337 92.421 ( -6.325 0.000 9.831) 11.690 92.661 ( -0.029 0.000 2.948) 2.949 97.812 ( 0.591 0.000 0.696) 0.913 97.907 ( -0.392 0.000 -0.439) 0.589 98.210 ( -3.319 0.000 -2.195) 3.979 98.434 ( -9.385 0.000 15.156) 17.826 103.668 ( 0.424 0.000 0.400) 0.583 103.743 ( -0.310 0.000 -0.604) 0.678 103.796 ( 0.020 0.000 0.198) 0.199 103.813 ( 0.555 0.000 -1.530) 1.628 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 22.729 0.000 -6.124) 23.540 0.716 ( 13.192 0.000 11.666) 17.610 1.395 ( 20.472 0.000 22.946) 30.751 1.691 ( -0.996 0.000 -7.764) 7.828 1.839 ( -1.947 0.000 2.217) 2.951 1.923 ( -2.260 0.000 5.600) 6.039 1.981 ( -10.139 0.000 -2.834) 10.528 2.161 ( -0.693 0.000 -3.518) 3.585 2.205 ( -1.948 0.000 -0.392) 1.987 2.244 ( -0.792 0.000 1.035) 1.304 2.387 ( -9.005 0.000 0.242) 9.008 2.397 ( 1.233 0.000 1.039) 1.612 2.428 ( -5.459 0.000 5.347) 7.641 2.616 ( -3.265 0.000 4.310) 5.407 2.708 ( -6.847 0.000 -0.280) 6.852 2.780 ( -1.654 0.000 2.281) 2.818 2.873 ( -2.115 0.000 0.519) 2.178 2.967 ( 6.945 0.000 0.074) 6.946 3.115 ( 4.601 0.000 -1.654) 4.889 3.196 ( 3.189 0.000 -0.220) 3.197 3.435 ( 4.697 0.000 -0.764) 4.759 3.469 ( 0.889 0.000 -2.681) 2.825 3.480 ( -1.824 0.000 -5.828) 6.107 3.627 ( 4.108 0.000 -4.109) 5.810 4.300 ( -0.851 0.000 -2.211) 2.369 4.466 ( 1.639 0.000 6.724) 6.920 4.543 ( 0.418 0.000 -3.008) 3.037 4.545 ( -5.174 0.000 -1.451) 5.374 4.549 ( -1.831 0.000 0.989) 2.081 4.724 ( -5.825 0.000 -0.472) 5.844 4.903 ( -4.351 0.000 -1.653) 4.654 4.917 ( 1.948 0.000 4.737) 5.122 5.174 ( -0.670 0.000 1.680) 1.808 5.259 ( 0.149 0.000 4.898) 4.900 5.293 ( -6.530 0.000 -6.580) 9.270 5.364 ( -1.053 0.000 -6.359) 6.446 5.526 ( -8.497 0.000 -4.074) 9.423 5.558 ( -0.506 0.000 -0.641) 0.817 5.558 ( -0.695 0.000 -0.355) 0.781 5.663 ( -5.709 0.000 -2.475) 6.222 5.829 ( 1.036 0.000 5.330) 5.430 5.882 ( 7.872 0.000 -2.334) 8.211 5.949 ( 4.381 0.000 -0.524) 4.412 6.249 ( 4.906 0.000 -1.134) 5.035 6.252 ( -3.457 0.000 9.185) 9.814 6.356 ( 1.885 0.000 8.188) 8.402 6.495 ( -0.315 0.000 -0.244) 0.398 6.562 ( 4.065 0.000 -6.359) 7.548 6.587 ( 2.021 0.000 4.452) 4.889 6.647 ( -6.501 0.000 -5.633) 8.601 7.044 ( -0.474 0.000 -1.589) 1.658 7.100 ( 1.791 0.000 -12.695) 12.821 7.357 ( 3.041 0.000 -9.734) 10.198 7.390 ( 3.276 0.000 1.201) 3.489 7.610 ( -0.037 0.000 0.112) 0.118 7.651 ( -11.721 0.000 -1.400) 11.805 8.134 ( -3.676 0.000 -2.531) 4.464 8.192 ( 0.176 0.000 2.819) 2.825 8.400 ( -4.874 0.000 -1.110) 4.999 8.615 ( 5.442 0.000 -2.048) 5.815 8.876 ( 6.650 0.000 5.594) 8.690 9.117 ( 7.074 0.000 -0.840) 7.123 9.157 ( -15.176 0.000 -2.335) 15.354 9.835 ( 2.578 0.000 3.295) 4.184 10.005 ( -0.429 0.000 0.780) 0.891 10.116 ( -7.790 0.000 5.372) 9.462 10.234 ( 6.131 0.000 1.404) 6.289 10.367 ( -2.077 0.000 6.195) 6.534 10.611 ( -4.371 0.000 1.903) 4.768 10.700 ( 5.245 0.000 -9.770) 11.089 10.767 ( 10.390 0.000 2.518) 10.691 11.127 ( 2.920 0.000 7.151) 7.724 21.298 ( -3.256 0.000 4.447) 5.512 21.517 ( -0.262 0.000 -0.064) 0.270 21.565 ( -0.012 0.000 2.217) 2.217 21.694 ( -0.024 0.000 0.362) 0.363 22.696 ( 0.105 0.000 1.294) 1.298 22.730 ( -1.639 0.000 -3.193) 3.589 22.877 ( -0.478 0.000 -0.520) 0.707 22.900 ( 0.571 0.000 0.251) 0.624 23.381 ( 1.492 0.000 0.530) 1.584 23.646 ( -1.175 0.000 0.667) 1.351 23.802 ( 1.293 0.000 -2.124) 2.487 24.046 ( 2.308 0.000 1.105) 2.559 26.723 ( -0.274 0.000 -0.593) 0.653 26.893 ( 1.627 0.000 2.620) 3.084 27.014 ( -2.853 0.000 -0.209) 2.861 27.043 ( -1.407 0.000 -1.216) 1.859 29.742 ( -2.961 0.000 -1.146) 3.175 29.747 ( -4.970 0.000 2.342) 5.494 29.901 ( 0.296 0.000 5.737) 5.744 30.193 ( -7.132 0.000 -4.699) 8.541 31.920 ( 1.088 0.000 1.080) 1.533 31.949 ( 0.079 0.000 -0.092) 0.121 32.458 ( 0.601 0.000 1.793) 1.891 32.475 ( -2.249 0.000 -1.421) 2.660 33.527 ( 0.984 0.000 -2.198) 2.408 33.554 ( -0.440 0.000 -0.251) 0.506 33.722 ( 0.845 0.000 -0.677) 1.083 33.854 ( 2.218 0.000 1.289) 2.565 35.287 ( 1.205 0.000 0.644) 1.366 35.361 ( -0.043 0.000 0.583) 0.585 35.387 ( -0.679 0.000 -0.840) 1.080 35.466 ( 0.523 0.000 -0.391) 0.653 89.073 ( 2.561 0.000 -1.951) 3.220 89.181 ( 9.293 0.000 -14.065) 16.858 89.332 ( 2.596 0.000 -0.872) 2.738 89.553 ( 4.858 0.000 3.296) 5.871 92.226 ( -0.541 0.000 -1.735) 1.817 92.387 ( 3.910 0.000 1.804) 4.306 92.426 ( -2.750 0.000 4.598) 5.358 92.700 ( -0.741 0.000 4.952) 5.007 97.834 ( 0.859 0.000 1.024) 1.337 97.892 ( -0.635 0.000 -0.642) 0.903 98.104 ( -5.343 0.000 -3.898) 6.614 98.450 ( -3.633 0.000 7.185) 8.051 103.684 ( 0.769 0.000 0.712) 1.048 103.728 ( -0.511 0.000 -0.814) 0.961 103.799 ( 0.107 0.000 0.205) 0.231 103.802 ( -0.247 0.000 -0.990) 1.020 ======================= Grid point 3 (4/112) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 17.330 0.000 -4.822) 17.989 1.020 ( 9.806 0.000 9.012) 13.319 1.566 ( -1.171 0.000 -10.074) 10.142 1.715 ( -1.297 0.000 3.780) 3.997 1.760 ( -12.786 0.000 2.026) 12.946 1.955 ( 0.066 0.000 -2.711) 2.711 1.965 ( 9.098 0.000 11.577) 14.724 2.117 ( -3.017 0.000 0.886) 3.144 2.177 ( -0.531 0.000 0.601) 0.802 2.242 ( -1.397 0.000 1.184) 1.831 2.281 ( -4.772 0.000 1.241) 4.931 2.323 ( -5.194 0.000 3.277) 6.141 2.526 ( 1.768 0.000 6.865) 7.089 2.590 ( -2.597 0.000 -1.714) 3.112 2.637 ( -3.277 0.000 5.271) 6.207 2.750 ( -1.893 0.000 -0.780) 2.047 2.865 ( -0.149 0.000 2.916) 2.920 3.072 ( 4.551 0.000 -1.775) 4.885 3.168 ( 4.171 0.000 0.741) 4.237 3.246 ( 3.318 0.000 -3.602) 4.898 3.350 ( -2.366 0.000 -6.326) 6.754 3.475 ( 0.134 0.000 -0.222) 0.260 3.481 ( 2.818 0.000 -2.042) 3.480 3.647 ( 3.972 0.000 -4.163) 5.754 4.264 ( -1.651 0.000 -0.438) 1.708 4.449 ( -3.030 0.000 -1.855) 3.552 4.485 ( -3.613 0.000 2.212) 4.236 4.543 ( 0.340 0.000 -0.654) 0.737 4.591 ( 0.199 0.000 4.836) 4.840 4.653 ( -0.693 0.000 -0.812) 1.068 4.811 ( -3.794 0.000 -1.190) 3.976 4.987 ( 1.045 0.000 1.337) 1.697 5.059 ( -4.394 0.000 -10.142) 11.053 5.206 ( -4.634 0.000 1.054) 4.753 5.219 ( -8.303 0.000 -4.661) 9.522 5.263 ( -3.669 0.000 -4.709) 5.969 5.398 ( -0.711 0.000 4.241) 4.301 5.445 ( -7.895 0.000 1.492) 8.035 5.575 ( 1.725 0.000 -1.076) 2.033 5.598 ( -0.490 0.000 -3.482) 3.516 5.942 ( 4.849 0.000 3.117) 5.764 6.009 ( 3.159 0.000 -0.004) 3.159 6.011 ( 7.477 0.000 1.050) 7.550 6.250 ( -8.463 0.000 8.201) 11.785 6.257 ( 0.328 0.000 -3.619) 3.634 6.477 ( 3.925 0.000 5.013) 6.366 6.482 ( -0.253 0.000 -2.127) 2.142 6.552 ( 0.077 0.000 -0.346) 0.354 6.594 ( 0.280 0.000 3.532) 3.543 6.726 ( 8.678 0.000 4.067) 9.584 7.014 ( 1.669 0.000 -5.082) 5.349 7.027 ( 3.033 0.000 -7.100) 7.721 7.321 ( 2.055 0.000 -5.336) 5.718 7.431 ( 1.855 0.000 -1.597) 2.448 7.488 ( -6.995 0.000 -0.500) 7.012 7.604 ( 0.300 0.000 -0.557) 0.632 8.017 ( -6.012 0.000 -4.471) 7.492 8.212 ( -0.841 0.000 1.700) 1.897 8.329 ( -2.680 0.000 -0.535) 2.733 8.651 ( 1.091 0.000 0.034) 1.092 8.897 ( -12.061 0.000 -4.053) 12.724 9.044 ( 8.749 0.000 1.217) 8.833 9.207 ( 4.628 0.000 -0.349) 4.641 9.893 ( 2.233 0.000 0.160) 2.238 9.972 ( -4.674 0.000 1.091) 4.800 10.088 ( -1.883 0.000 3.668) 4.123 10.306 ( 7.221 0.000 -6.201) 9.519 10.425 ( -4.405 0.000 12.158) 12.931 10.553 ( -3.050 0.000 -1.099) 3.242 10.688 ( 1.763 0.000 -2.788) 3.299 10.917 ( 4.621 0.000 2.697) 5.350 11.275 ( 5.071 0.000 6.749) 8.442 21.292 ( -1.699 0.000 1.868) 2.525 21.514 ( -0.122 0.000 0.065) 0.138 21.590 ( 0.090 0.000 2.204) 2.205 21.695 ( -0.182 0.000 0.199) 0.270 22.676 ( -1.433 0.000 -2.143) 2.578 22.711 ( 0.042 0.000 1.151) 1.151 22.865 ( -0.259 0.000 -0.507) 0.569 22.906 ( 0.053 0.000 0.174) 0.182 23.410 ( 1.287 0.000 0.476) 1.372 23.637 ( -0.736 0.000 0.623) 0.964 23.797 ( 1.012 0.000 -2.094) 2.326 24.094 ( 2.000 0.000 0.947) 2.213 26.713 ( -0.464 0.000 -0.099) 0.474 26.948 ( 1.442 0.000 2.464) 2.855 26.963 ( -2.494 0.000 -0.834) 2.630 27.011 ( -1.448 0.000 -0.365) 1.493 29.685 ( -2.492 0.000 -1.024) 2.694 29.691 ( -3.730 0.000 0.659) 3.788 29.969 ( 0.894 0.000 4.505) 4.593 30.034 ( -6.136 0.000 -4.076) 7.367 31.949 ( 0.995 0.000 0.981) 1.397 31.949 ( 0.096 0.000 -0.053) 0.110 32.422 ( -2.095 0.000 -1.504) 2.579 32.479 ( 0.003 0.000 1.194) 1.194 33.519 ( 0.161 0.000 -0.922) 0.936 33.551 ( 0.159 0.000 0.093) 0.184 33.729 ( 0.802 0.000 -0.535) 0.964 33.898 ( 1.602 0.000 1.007) 1.892 35.315 ( 1.394 0.000 0.597) 1.516 35.365 ( -0.374 0.000 0.541) 0.658 35.371 ( -0.361 0.000 -0.551) 0.659 35.467 ( 0.112 0.000 -0.353) 0.370 89.093 ( 2.509 0.000 -1.938) 3.170 89.178 ( 3.767 0.000 -5.990) 7.076 89.371 ( 2.586 0.000 -0.178) 2.592 89.660 ( 4.107 0.000 2.583) 4.852 92.200 ( -0.446 0.000 -1.426) 1.494 92.431 ( -1.330 0.000 2.358) 2.707 92.479 ( 4.828 0.000 1.628) 5.095 92.734 ( -2.047 0.000 5.035) 5.435 97.858 ( 0.713 0.000 0.861) 1.118 97.875 ( -0.674 0.000 -0.410) 0.788 97.973 ( -4.880 0.000 -4.190) 6.432 98.469 ( -1.529 0.000 3.813) 4.108 103.707 ( 0.974 0.000 0.885) 1.317 103.712 ( -0.463 0.000 -0.648) 0.797 103.784 ( -0.671 0.000 -0.901) 1.124 103.803 ( 0.147 0.000 0.126) 0.194 ======================= Grid point 4 (5/112) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 6.822 0.000 -2.156) 7.154 1.174 ( 1.892 0.000 1.688) 2.536 1.481 ( 0.224 0.000 -4.243) 4.249 1.676 ( -3.004 0.000 8.154) 8.689 1.689 ( -2.244 0.000 0.702) 2.351 1.855 ( -2.365 0.000 -9.598) 9.885 2.050 ( 1.250 0.000 -2.207) 2.536 2.149 ( -0.655 0.000 3.249) 3.314 2.188 ( -2.492 0.000 2.576) 3.584 2.249 ( -0.690 0.000 3.127) 3.202 2.268 ( 0.163 0.000 2.776) 2.781 2.296 ( -1.712 0.000 0.649) 1.831 2.564 ( 0.388 0.000 0.214) 0.443 2.596 ( 0.462 0.000 2.394) 2.438 2.654 ( -0.428 0.000 0.907) 1.003 2.737 ( 0.514 0.000 0.964) 1.092 2.942 ( 2.077 0.000 7.034) 7.334 3.071 ( 0.433 0.000 -2.686) 2.721 3.144 ( -2.593 0.000 -9.240) 9.597 3.253 ( 2.719 0.000 1.614) 3.162 3.348 ( 2.241 0.000 -0.306) 2.262 3.472 ( -0.587 0.000 0.491) 0.766 3.487 ( 0.597 0.000 -1.311) 1.441 3.663 ( 1.774 0.000 -1.760) 2.499 4.242 ( -0.761 0.000 0.084) 0.766 4.411 ( 1.358 0.000 -2.363) 2.725 4.440 ( -4.765 0.000 2.531) 5.395 4.540 ( 0.333 0.000 -0.719) 0.792 4.633 ( 1.107 0.000 1.545) 1.900 4.687 ( 1.976 0.000 4.317) 4.748 4.775 ( -1.014 0.000 1.117) 1.509 4.895 ( -6.286 0.000 -7.089) 9.475 4.917 ( -1.771 0.000 -5.338) 5.624 5.084 ( -4.688 0.000 -2.430) 5.280 5.113 ( -0.514 0.000 -0.384) 0.641 5.212 ( -1.510 0.000 0.447) 1.575 5.393 ( -1.417 0.000 0.907) 1.683 5.462 ( 0.456 0.000 3.732) 3.759 5.555 ( -0.551 0.000 -1.921) 1.999 5.587 ( 1.247 0.000 -1.121) 1.677 6.021 ( 4.583 0.000 -2.234) 5.098 6.043 ( 1.024 0.000 0.011) 1.024 6.083 ( -3.594 0.000 5.006) 6.162 6.224 ( -0.152 0.000 -1.699) 1.706 6.230 ( 0.405 0.000 1.655) 1.704 6.460 ( -0.193 0.000 -0.780) 0.804 6.562 ( 2.119 0.000 0.968) 2.329 6.580 ( 0.748 0.000 1.213) 1.425 6.621 ( -1.388 0.000 3.148) 3.440 6.894 ( 5.965 0.000 2.533) 6.480 6.994 ( 1.136 0.000 -2.752) 2.978 7.031 ( 1.779 0.000 -1.754) 2.499 7.300 ( 0.309 0.000 -1.792) 1.818 7.417 ( -1.940 0.000 0.118) 1.943 7.421 ( -0.494 0.000 -1.147) 1.249 7.623 ( 1.863 0.000 0.360) 1.898 7.876 ( -4.268 0.000 -3.702) 5.649 8.207 ( -0.773 0.000 0.417) 0.879 8.299 ( -0.948 0.000 0.097) 0.953 8.662 ( 0.251 0.000 0.237) 0.345 8.719 ( -5.002 0.000 -1.990) 5.383 9.159 ( 4.212 0.000 -0.189) 4.216 9.252 ( 1.266 0.000 0.048) 1.267 9.913 ( 0.623 0.000 -0.278) 0.682 9.916 ( -2.657 0.000 0.655) 2.736 10.103 ( -0.121 0.000 1.188) 1.194 10.354 ( 6.526 0.000 -5.895) 8.794 10.447 ( -9.183 0.000 12.119) 15.205 10.512 ( 2.782 0.000 -5.245) 5.937 10.692 ( 0.299 0.000 0.053) 0.304 10.982 ( 1.127 0.000 1.166) 1.621 11.393 ( 2.382 0.000 2.724) 3.619 21.286 ( -0.561 0.000 0.497) 0.750 21.514 ( -0.020 0.000 0.055) 0.058 21.610 ( 0.095 0.000 1.000) 1.005 21.693 ( -0.150 0.000 -0.017) 0.151 22.643 ( -0.559 0.000 -0.767) 0.949 22.721 ( 0.003 0.000 0.456) 0.456 22.859 ( -0.060 0.000 -0.211) 0.220 22.907 ( -0.036 0.000 0.054) 0.065 23.428 ( 0.505 0.000 0.191) 0.540 23.634 ( -0.232 0.000 0.275) 0.360 23.792 ( 0.365 0.000 -0.875) 0.948 24.124 ( 0.782 0.000 0.366) 0.864 26.707 ( -0.202 0.000 0.006) 0.202 26.926 ( -1.000 0.000 -0.385) 1.072 26.984 ( 0.584 0.000 1.012) 1.168 26.991 ( -0.614 0.000 -0.075) 0.618 29.648 ( -0.954 0.000 -0.407) 1.037 29.652 ( -1.404 0.000 0.068) 1.406 29.931 ( -2.397 0.000 -1.608) 2.886 30.015 ( 0.420 0.000 1.762) 1.811 31.950 ( 0.050 0.000 -0.013) 0.052 31.968 ( 0.409 0.000 0.397) 0.570 32.385 ( -0.870 0.000 -0.658) 1.091 32.486 ( -0.128 0.000 0.379) 0.400 33.514 ( -0.017 0.000 -0.254) 0.255 33.556 ( 0.176 0.000 0.106) 0.206 33.734 ( 0.330 0.000 -0.195) 0.383 33.923 ( 0.566 0.000 0.377) 0.680 35.341 ( 1.216 0.000 0.263) 1.244 35.359 ( -0.815 0.000 0.204) 0.840 35.364 ( -0.100 0.000 -0.190) 0.215 35.464 ( -0.010 0.000 -0.148) 0.148 89.108 ( 1.118 0.000 -0.864) 1.413 89.174 ( 0.903 0.000 -1.591) 1.830 89.401 ( 1.076 0.000 0.029) 1.076 89.727 ( 1.598 0.000 0.993) 1.882 92.184 ( -0.170 0.000 -0.543) 0.569 92.434 ( -0.404 0.000 0.741) 0.844 92.558 ( 2.868 0.000 0.485) 2.909 92.741 ( -1.780 0.000 2.360) 2.956 97.865 ( -0.656 0.000 0.519) 0.837 97.873 ( 0.272 0.000 0.330) 0.428 97.881 ( -1.613 0.000 -2.520) 2.991 98.481 ( -0.423 0.000 1.230) 1.301 103.702 ( -0.184 0.000 -0.244) 0.305 103.733 ( 0.942 0.000 0.857) 1.274 103.762 ( -0.840 0.000 -0.838) 1.186 103.806 ( 0.069 0.000 0.041) 0.081 ======================= Grid point 9 (6/112) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.000 17.639 0.000) 17.639 0.501 ( 0.000 23.537 0.000) 23.537 0.592 ( 0.000 28.211 0.000) 28.211 1.621 ( 0.000 -9.791 0.000) 9.791 1.885 ( 0.000 1.313 0.000) 1.313 1.969 ( 0.000 4.934 0.000) 4.934 2.096 ( 0.000 -8.737 0.000) 8.737 2.209 ( 0.000 -0.480 0.000) 0.480 2.244 ( 0.000 -5.067 0.000) 5.067 2.251 ( 0.000 -2.960 0.000) 2.960 2.356 ( 0.000 0.242 0.000) 0.242 2.452 ( 0.000 2.340 0.000) 2.340 2.586 ( 0.000 0.134 0.000) 0.134 2.721 ( 0.000 -2.999 0.000) 2.999 2.738 ( 0.000 3.518 0.000) 3.518 2.810 ( 0.000 2.410 0.000) 2.410 2.904 ( 0.000 1.764 0.000) 1.764 2.912 ( 0.000 3.240 0.000) 3.240 3.003 ( 0.000 -2.091 0.000) 2.091 3.150 ( 0.000 -4.329 0.000) 4.329 3.234 ( 0.000 -4.498 0.000) 4.498 3.521 ( 0.000 2.166 0.000) 2.166 3.552 ( 0.000 -3.181 0.000) 3.181 3.606 ( 0.000 0.371 0.000) 0.371 4.306 ( 0.000 -0.691 0.000) 0.691 4.522 ( 0.000 -3.474 0.000) 3.474 4.594 ( 0.000 -4.315 0.000) 4.315 4.614 ( 0.000 -2.111 0.000) 2.111 4.718 ( 0.000 1.508 0.000) 1.508 4.816 ( 0.000 -4.058 0.000) 4.058 4.919 ( 0.000 2.313 0.000) 2.313 4.951 ( 0.000 -5.937 0.000) 5.937 5.132 ( 0.000 0.375 0.000) 0.375 5.153 ( 0.000 -4.425 0.000) 4.425 5.316 ( 0.000 -5.339 0.000) 5.339 5.413 ( 0.000 -2.121 0.000) 2.121 5.499 ( 0.000 1.771 0.000) 1.771 5.577 ( 0.000 0.169 0.000) 0.169 5.581 ( 0.000 -0.008 0.000) 0.008 5.663 ( 0.000 -0.585 0.000) 0.585 5.829 ( 0.000 2.553 0.000) 2.553 5.877 ( 0.000 1.539 0.000) 1.539 5.985 ( 0.000 3.713 0.000) 3.713 6.134 ( 0.000 4.280 0.000) 4.280 6.135 ( 0.000 2.899 0.000) 2.899 6.299 ( 0.000 -0.716 0.000) 0.716 6.491 ( 0.000 -1.956 0.000) 1.956 6.528 ( 0.000 1.168 0.000) 1.168 6.783 ( 0.000 6.003 0.000) 6.003 6.940 ( 0.000 2.299 0.000) 2.299 6.977 ( 0.000 -2.947 0.000) 2.947 7.129 ( 0.000 -0.491 0.000) 0.491 7.357 ( 0.000 0.442 0.000) 0.442 7.546 ( 0.000 8.770 0.000) 8.770 7.587 ( 0.000 -4.683 0.000) 4.683 8.007 ( 0.000 1.722 0.000) 1.722 8.063 ( 0.000 -6.979 0.000) 6.979 8.155 ( 0.000 -1.720 0.000) 1.720 8.486 ( 0.000 4.530 0.000) 4.530 8.506 ( 0.000 9.279 0.000) 9.279 8.892 ( 0.000 3.053 0.000) 3.053 9.019 ( 0.000 5.243 0.000) 5.243 9.327 ( 0.000 -3.929 0.000) 3.929 9.526 ( 0.000 -3.680 0.000) 3.680 10.022 ( 0.000 2.184 0.000) 2.184 10.032 ( 0.000 3.094 0.000) 3.094 10.330 ( 0.000 -6.416 0.000) 6.416 10.331 ( 0.000 -2.784 0.000) 2.784 10.423 ( 0.000 -0.074 0.000) 0.074 10.737 ( 0.000 -3.364 0.000) 3.364 10.764 ( 0.000 3.942 0.000) 3.942 11.040 ( 0.000 -2.631 0.000) 2.631 21.276 ( 0.000 1.616 0.000) 1.616 21.507 ( 0.000 -1.725 0.000) 1.725 21.540 ( 0.000 0.225 0.000) 0.225 21.670 ( 0.000 -1.660 0.000) 1.660 22.767 ( 0.000 -0.276 0.000) 0.276 22.769 ( 0.000 -0.409 0.000) 0.409 22.853 ( 0.000 0.655 0.000) 0.655 22.896 ( 0.000 0.052 0.000) 0.052 23.511 ( 0.000 1.498 0.000) 1.498 23.693 ( 0.000 2.562 0.000) 2.562 23.759 ( 0.000 -1.957 0.000) 1.957 23.970 ( 0.000 -1.566 0.000) 1.566 26.736 ( 0.000 0.470 0.000) 0.470 26.821 ( 0.000 -0.764 0.000) 0.764 27.066 ( 0.000 0.525 0.000) 0.525 27.127 ( 0.000 -0.319 0.000) 0.319 29.526 ( 0.000 0.297 0.000) 0.297 29.763 ( 0.000 -2.731 0.000) 2.731 29.866 ( 0.000 4.520 0.000) 4.520 30.377 ( 0.000 -3.373 0.000) 3.373 31.975 ( 0.000 2.770 0.000) 2.770 32.013 ( 0.000 4.192 0.000) 4.192 32.381 ( 0.000 -2.855 0.000) 2.855 32.497 ( 0.000 -3.338 0.000) 3.338 33.516 ( 0.000 1.523 0.000) 1.523 33.596 ( 0.000 1.357 0.000) 1.357 33.706 ( 0.000 -0.908 0.000) 0.908 33.771 ( 0.000 -1.655 0.000) 1.655 35.274 ( 0.000 1.604 0.000) 1.604 35.427 ( 0.000 -0.111 0.000) 0.111 35.449 ( 0.000 0.471 0.000) 0.471 35.559 ( 0.000 -1.599 0.000) 1.599 88.984 ( 0.000 0.492 0.000) 0.492 89.045 ( 0.000 -0.406 0.000) 0.406 89.319 ( 0.000 -0.043 0.000) 0.043 89.391 ( 0.000 -1.082 0.000) 1.082 92.278 ( 0.000 1.567 0.000) 1.567 92.398 ( 0.000 0.262 0.000) 0.262 92.623 ( 0.000 -0.647 0.000) 0.647 92.630 ( 0.000 -1.280 0.000) 1.280 97.810 ( 0.000 0.586 0.000) 0.586 97.893 ( 0.000 -0.972 0.000) 0.972 97.957 ( 0.000 2.515 0.000) 2.515 98.307 ( 0.000 -2.941 0.000) 2.941 103.670 ( 0.000 0.713 0.000) 0.713 103.756 ( 0.000 -1.237 0.000) 1.237 103.830 ( 0.000 2.116 0.000) 2.116 103.991 ( 0.000 -0.941 0.000) 0.941 ======================= Grid point 10 (7/112) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 5.722 12.623 10.267) 17.248 0.605 ( 15.802 19.500 -5.921) 25.787 0.932 ( 18.561 15.119 20.632) 31.603 1.617 ( -0.099 -8.757 -0.429) 8.768 1.898 ( -2.298 1.162 4.940) 5.571 1.958 ( 0.289 4.164 -2.541) 4.887 2.068 ( -3.781 -5.644 -1.967) 7.073 2.177 ( 0.662 -4.207 -3.088) 5.261 2.215 ( -1.024 -2.320 1.806) 3.113 2.269 ( -1.572 -2.468 2.177) 3.647 2.334 ( -2.490 3.428 -4.642) 6.285 2.470 ( -0.964 -1.651 6.255) 6.541 2.532 ( -5.931 -0.520 -0.575) 5.981 2.669 ( -5.981 2.203 1.294) 6.504 2.739 ( -1.224 0.942 2.220) 2.705 2.788 ( -1.699 -1.876 -0.433) 2.568 2.859 ( -3.133 0.674 -2.064) 3.812 2.924 ( 0.392 0.454 1.499) 1.615 3.045 ( 4.618 -0.682 -1.991) 5.075 3.156 ( 0.195 -2.292 1.488) 2.739 3.268 ( 3.529 -5.397 -0.015) 6.448 3.502 ( 0.110 0.952 -1.561) 1.832 3.577 ( 0.435 0.092 0.439) 0.625 3.599 ( 4.028 0.737 -5.265) 6.670 4.328 ( 0.715 -1.400 1.120) 1.931 4.464 ( -3.909 2.651 -4.004) 6.191 4.513 ( -1.383 -2.838 0.544) 3.204 4.627 ( -3.316 1.043 4.463) 5.657 4.693 ( -4.437 2.791 -0.527) 5.268 4.786 ( -1.500 -3.477 -4.777) 6.096 4.836 ( -1.647 -1.076 1.229) 2.319 4.941 ( -1.818 -0.548 -0.942) 2.120 5.128 ( 1.370 -3.813 5.140) 6.545 5.146 ( -2.843 -2.675 -1.391) 4.144 5.339 ( 3.329 -2.872 -0.473) 4.422 5.361 ( -0.515 -6.510 -1.390) 6.676 5.474 ( -3.008 -2.380 0.596) 3.882 5.558 ( 1.461 1.197 -3.701) 4.155 5.690 ( 3.550 1.946 1.850) 4.451 5.723 ( -0.792 -0.297 -2.989) 3.106 5.843 ( 0.726 2.280 -2.550) 3.497 5.884 ( -1.808 0.869 2.782) 3.430 6.030 ( -0.332 4.211 4.817) 6.407 6.151 ( 2.923 2.042 1.333) 3.807 6.167 ( 4.012 0.993 -0.336) 4.147 6.267 ( -4.052 -0.126 6.244) 7.445 6.447 ( -3.675 -2.921 1.031) 4.807 6.598 ( 4.816 2.498 0.545) 5.453 6.731 ( -0.328 6.957 -7.551) 10.272 6.833 ( -5.506 1.497 -7.361) 9.313 6.974 ( 2.618 -5.579 -6.001) 8.601 7.151 ( 1.297 -0.072 0.934) 1.600 7.355 ( -3.241 2.079 0.166) 3.854 7.509 ( 2.094 -2.752 -10.012) 10.592 7.555 ( 0.495 4.039 -0.172) 4.073 7.954 ( -9.438 5.627 5.394) 12.241 8.062 ( 2.701 -6.285 -1.049) 6.921 8.234 ( 3.405 1.904 1.774) 4.286 8.442 ( -0.582 3.575 -2.381) 4.335 8.654 ( 6.931 4.786 5.475) 10.046 8.784 ( -3.401 5.176 -5.147) 8.053 9.026 ( 2.597 1.477 -0.902) 3.121 9.401 ( -7.471 -2.656 5.245) 9.506 9.562 ( 5.690 -8.130 4.635) 10.952 9.989 ( -0.842 0.644 -0.244) 1.087 10.052 ( 1.259 1.766 1.130) 2.445 10.295 ( -3.322 -1.030 0.581) 3.526 10.366 ( -0.788 -4.993 3.592) 6.201 10.452 ( 5.325 0.916 0.943) 5.485 10.722 ( 4.815 -0.472 -10.585) 11.638 10.781 ( -1.540 3.859 4.796) 6.345 11.013 ( -1.903 -2.539 3.432) 4.675 21.293 ( -2.136 0.530 4.867) 5.341 21.504 ( -0.212 -1.736 -0.206) 1.761 21.547 ( -0.039 0.162 1.190) 1.202 21.672 ( 0.061 -1.657 0.241) 1.676 22.721 ( -2.107 2.009 0.179) 2.917 22.764 ( -0.920 -1.293 -1.632) 2.276 22.865 ( 0.536 -0.407 0.471) 0.822 22.905 ( 0.890 0.200 -0.772) 1.195 23.459 ( -1.612 5.398 -1.907) 5.947 23.684 ( -0.934 2.532 0.211) 2.707 23.770 ( 1.170 -2.434 -0.608) 2.769 23.988 ( 1.458 -1.678 0.648) 2.316 26.735 ( 0.220 0.331 -0.801) 0.894 26.832 ( 0.582 -1.174 1.274) 1.827 27.056 ( -1.287 0.574 0.172) 1.420 27.097 ( -1.614 0.732 -1.560) 2.361 29.642 ( 1.781 -6.067 7.808) 10.047 29.786 ( 0.854 -2.491 2.310) 3.503 29.852 ( -1.931 3.464 0.700) 4.027 30.313 ( -5.089 -2.883 -3.269) 6.700 31.971 ( -0.448 4.115 0.293) 4.149 31.992 ( -0.717 4.524 -0.663) 4.628 32.397 ( 0.820 -2.903 1.270) 3.273 32.482 ( -1.389 -3.291 -0.626) 3.626 33.528 ( 1.832 0.655 -1.738) 2.609 33.587 ( -0.485 1.455 -0.470) 1.605 33.705 ( 0.207 -0.938 -0.394) 1.039 33.790 ( 1.659 -1.631 0.884) 2.489 35.281 ( 0.493 1.420 0.363) 1.546 35.405 ( -2.420 0.215 0.332) 2.452 35.457 ( -1.269 1.003 0.804) 1.806 35.473 ( -0.815 2.883 -4.849) 5.700 89.048 ( 3.962 -0.901 -4.078) 5.757 89.073 ( 10.466 -3.786 -7.404) 13.368 89.322 ( 2.114 0.314 -2.052) 2.963 89.435 ( 3.355 -1.310 2.338) 4.294 92.268 ( -0.386 1.637 -1.073) 1.995 92.388 ( 1.139 0.897 -3.187) 3.501 92.517 ( -7.770 5.744 3.129) 10.157 92.646 ( -0.043 -1.388 2.754) 3.085 97.820 ( 0.746 0.804 0.976) 1.468 97.925 ( -0.565 1.458 -0.059) 1.565 98.093 ( 4.195 -7.456 7.429) 11.330 98.289 ( -2.479 -5.216 2.924) 6.473 103.674 ( 0.249 0.622 0.328) 0.746 103.745 ( -0.818 -0.779 -0.637) 1.297 103.825 ( -0.343 1.954 -0.247) 1.999 103.904 ( -3.647 3.864 -3.155) 6.180 ======================= Grid point 11 (8/112) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 9.288 5.405 10.294) 14.881 0.834 ( 18.259 13.129 -4.381) 22.912 1.449 ( 15.346 3.834 19.127) 24.821 1.605 ( 0.066 -6.767 -1.694) 6.976 1.858 ( -6.916 3.077 -1.493) 7.716 1.930 ( -3.278 -2.589 1.350) 4.390 1.985 ( -0.470 1.818 -2.104) 2.820 2.158 ( -1.236 -4.704 -3.179) 5.810 2.197 ( -1.008 1.396 -2.184) 2.781 2.226 ( -1.868 -0.202 2.592) 3.201 2.341 ( 0.453 -3.126 3.344) 4.600 2.408 ( -8.959 -0.743 1.729) 9.155 2.457 ( -4.917 2.731 3.876) 6.831 2.616 ( -5.391 0.532 5.148) 7.473 2.709 ( -4.911 0.268 0.855) 4.992 2.764 ( -2.115 -2.129 0.455) 3.035 2.829 ( 0.253 -2.358 1.050) 2.593 2.949 ( 3.458 -1.950 0.656) 4.024 3.085 ( 3.893 -1.586 -3.607) 5.539 3.187 ( 1.916 -1.936 0.535) 2.776 3.317 ( 3.406 -6.272 -2.762) 7.653 3.487 ( 0.169 0.475 -1.980) 2.044 3.547 ( -0.983 3.160 -2.475) 4.133 3.641 ( 6.146 1.413 -4.919) 7.998 4.300 ( -2.652 -0.593 -1.036) 2.909 4.480 ( 1.362 1.418 5.177) 5.538 4.499 ( 0.225 -2.353 -0.307) 2.384 4.584 ( -5.573 2.657 -2.430) 6.635 4.613 ( -1.492 3.950 -0.090) 4.224 4.699 ( -4.716 -1.799 -0.440) 5.067 4.877 ( -3.601 -2.816 -1.821) 4.921 4.894 ( 1.827 -1.804 4.676) 5.335 5.089 ( -3.246 -5.541 -0.681) 6.458 5.213 ( -0.001 -5.065 5.651) 7.589 5.293 ( -2.793 -1.228 -3.304) 4.497 5.351 ( 0.990 0.249 -4.053) 4.180 5.403 ( -6.018 -6.998 -1.229) 9.311 5.568 ( 1.472 2.413 -1.905) 3.408 5.642 ( -2.369 4.276 -2.333) 5.417 5.724 ( -5.335 3.657 -5.542) 8.518 5.794 ( 5.442 -4.942 -1.486) 7.500 5.887 ( -2.533 1.284 4.193) 5.064 6.012 ( -0.580 6.265 -2.522) 6.778 6.210 ( -0.024 -1.022 5.585) 5.678 6.277 ( 7.317 0.648 1.376) 7.473 6.347 ( 0.491 -1.277 8.958) 9.062 6.415 ( -2.117 -4.221 2.869) 5.525 6.625 ( -3.382 3.112 -5.113) 6.875 6.658 ( -0.872 1.632 -5.659) 5.954 6.707 ( 3.090 7.665 1.634) 8.424 6.954 ( 6.652 -6.144 -10.340) 13.745 7.159 ( -0.514 2.820 -2.383) 3.727 7.257 ( -3.936 -2.561 -3.522) 5.870 7.488 ( 2.087 -2.298 -4.878) 5.782 7.524 ( -0.033 4.498 -3.062) 5.442 7.885 ( -5.459 13.904 3.982) 15.459 8.097 ( 0.495 -2.938 0.399) 3.006 8.261 ( -0.265 5.282 0.163) 5.291 8.383 ( -3.095 0.103 -2.109) 3.747 8.687 ( 0.113 5.068 -3.855) 6.369 8.855 ( 6.470 -1.305 5.241) 8.428 9.026 ( -1.119 -3.021 -4.315) 5.385 9.299 ( -3.748 6.740 -0.078) 7.712 9.696 ( 3.802 -9.834 4.413) 11.430 10.002 ( 0.384 -0.708 0.872) 1.187 10.065 ( -0.486 -1.449 0.210) 1.543 10.280 ( 2.610 0.397 -2.458) 3.607 10.390 ( -4.806 -0.735 10.047) 11.162 10.560 ( 5.464 -0.466 -0.375) 5.496 10.674 ( -0.308 -1.016 -4.015) 4.153 10.819 ( 1.688 1.733 2.632) 3.575 11.083 ( 2.510 -4.054 7.632) 8.999 21.302 ( -2.008 0.596 3.184) 3.811 21.497 ( -0.284 -1.808 -0.160) 1.837 21.564 ( 0.032 0.001 1.976) 1.976 21.676 ( 0.008 -1.629 0.355) 1.667 22.704 ( -0.831 0.542 -0.179) 1.008 22.727 ( -1.311 0.190 -0.709) 1.502 22.872 ( -0.003 -0.505 -0.032) 0.506 22.903 ( -0.014 0.065 -0.552) 0.556 23.444 ( 0.728 4.948 -0.308) 5.011 23.672 ( -1.014 2.549 0.522) 2.792 23.778 ( 1.524 -2.115 -1.867) 3.206 24.026 ( 2.056 -2.021 0.931) 3.030 26.726 ( -0.496 0.299 -0.379) 0.693 26.860 ( 0.537 -2.467 1.724) 3.057 27.032 ( -1.798 1.057 0.176) 2.093 27.057 ( -1.533 1.083 -1.061) 2.156 29.695 ( -1.768 -2.866 3.735) 5.029 29.774 ( -2.962 2.080 -1.524) 3.927 29.873 ( 0.463 -2.129 5.235) 5.670 30.167 ( -7.103 -2.586 -4.693) 8.897 31.974 ( 0.121 4.599 0.409) 4.619 31.984 ( 0.112 3.302 0.147) 3.307 32.420 ( -0.255 -3.383 0.570) 3.440 32.447 ( -1.333 -2.752 -0.257) 3.069 33.529 ( 0.489 0.635 -1.365) 1.583 33.580 ( 0.253 2.033 -0.267) 2.066 33.706 ( 0.605 -1.253 -0.568) 1.503 33.834 ( 2.075 -1.850 1.215) 3.034 35.297 ( 0.823 0.912 0.560) 1.350 35.371 ( -1.841 0.300 0.233) 1.880 35.419 ( -0.573 2.403 -1.265) 2.776 35.471 ( 0.682 0.406 -0.559) 0.971 89.067 ( 2.841 -0.518 -2.354) 3.726 89.133 ( 7.127 -3.233 -7.387) 10.761 89.346 ( 3.192 0.937 -1.675) 3.724 89.531 ( 4.699 -1.968 2.807) 5.817 92.246 ( -0.485 1.825 -1.562) 2.451 92.387 ( 1.281 -0.018 -0.373) 1.334 92.486 ( -1.802 4.198 3.638) 5.840 92.682 ( -0.602 -1.640 4.528) 4.853 97.849 ( 1.110 1.465 1.398) 2.309 97.906 ( -0.953 1.298 -0.767) 1.783 98.088 ( -4.272 -1.512 -3.144) 5.516 98.338 ( -0.151 -8.487 6.902) 10.940 103.686 ( 0.576 0.292 0.648) 0.915 103.723 ( -0.776 -0.410 -0.808) 1.193 103.815 ( -0.473 1.535 -0.504) 1.683 103.848 ( -1.152 2.873 -1.066) 3.274 ======================= Grid point 12 (9/112) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 8.509 1.766 7.123) 11.237 1.054 ( 13.201 6.971 -3.675) 15.374 1.552 ( 0.640 -1.852 -5.835) 6.155 1.642 ( -8.588 -6.565 2.746) 11.154 1.775 ( -3.351 3.841 2.079) 5.504 1.927 ( -0.542 -0.613 1.804) 1.981 1.967 ( 2.320 -3.554 -2.167) 4.765 2.132 ( -1.989 -1.904 -3.080) 4.131 2.185 ( 0.106 1.374 3.812) 4.053 2.220 ( 1.478 2.499 2.560) 3.871 2.286 ( -6.245 -0.933 3.458) 7.200 2.374 ( -3.274 3.288 4.401) 6.395 2.506 ( 0.903 -1.271 6.875) 7.050 2.589 ( -3.703 -3.095 5.638) 7.422 2.650 ( -2.728 3.693 0.738) 4.650 2.727 ( -1.802 -1.856 -1.246) 2.872 2.841 ( 0.163 -2.364 2.625) 3.537 3.074 ( 6.931 -3.174 3.784) 8.511 3.086 ( 1.980 -2.418 -4.636) 5.591 3.217 ( 1.808 -3.869 -1.550) 4.543 3.287 ( 0.119 -5.366 -7.328) 9.083 3.478 ( 0.676 1.091 -0.505) 1.379 3.511 ( -0.313 2.461 -2.530) 3.543 3.671 ( 3.841 1.576 -4.471) 6.101 4.258 ( -1.762 -0.185 0.125) 1.776 4.469 ( -3.187 1.008 -0.277) 3.354 4.487 ( -3.686 0.164 -0.199) 3.695 4.576 ( 0.587 -0.706 5.727) 5.800 4.582 ( -0.658 2.928 -1.725) 3.462 4.647 ( -0.556 -0.112 -0.610) 0.833 4.787 ( -3.845 -2.607 -0.826) 4.719 4.950 ( -2.353 -2.101 -2.998) 4.352 5.017 ( -0.221 -3.528 -0.335) 3.551 5.185 ( -6.262 -2.615 -1.469) 6.944 5.224 ( -3.866 0.936 -2.785) 4.856 5.297 ( -1.839 -0.877 -3.548) 4.092 5.356 ( 1.419 -0.357 4.726) 4.947 5.518 ( -8.109 6.075 -0.876) 10.170 5.558 ( -0.913 -0.709 -5.444) 5.565 5.631 ( 0.456 2.066 -0.913) 2.305 5.856 ( 2.415 -9.032 -2.361) 9.643 5.886 ( -1.297 -5.469 2.543) 6.169 6.015 ( 3.745 1.875 -1.263) 4.374 6.247 ( -6.815 -0.536 5.917) 9.041 6.336 ( 0.619 -0.557 2.183) 2.336 6.425 ( 2.357 -2.484 1.751) 3.846 6.468 ( 4.282 3.267 1.300) 5.541 6.550 ( -0.559 1.578 0.948) 1.924 6.683 ( 5.068 1.014 3.032) 5.992 6.805 ( 4.721 7.810 1.822) 9.306 6.973 ( 6.679 -4.526 -6.300) 10.236 7.069 ( -1.474 3.491 -7.885) 8.748 7.214 ( -0.796 -2.894 0.765) 3.097 7.423 ( -2.660 -3.244 -2.300) 4.784 7.537 ( 3.673 6.984 -3.844) 8.777 7.848 ( -2.211 15.941 0.529) 16.102 8.042 ( -5.400 2.359 -2.959) 6.594 8.260 ( -0.852 4.407 1.079) 4.616 8.339 ( -0.979 0.517 0.613) 1.266 8.647 ( -1.380 -0.554 -1.711) 2.266 8.851 ( -6.774 -2.495 -4.859) 8.702 9.046 ( 7.684 -0.289 0.368) 7.698 9.300 ( 1.576 6.806 0.492) 7.003 9.780 ( 2.411 -8.579 1.905) 9.112 9.974 ( -4.358 0.015 1.248) 4.533 10.086 ( 2.753 -0.934 -0.324) 2.925 10.306 ( 6.211 -0.241 -5.928) 8.590 10.417 ( -7.112 -1.689 11.853) 13.926 10.564 ( -1.744 1.174 -3.042) 3.698 10.678 ( 2.186 0.376 1.459) 2.655 10.880 ( 1.786 -3.397 2.596) 4.633 11.227 ( 4.554 -4.465 6.803) 9.325 21.300 ( -1.307 0.779 1.488) 2.128 21.492 ( -0.183 -1.937 -0.006) 1.946 21.587 ( 0.143 -0.190 1.942) 1.957 21.678 ( -0.121 -1.544 0.219) 1.564 22.673 ( -1.226 0.112 -1.450) 1.902 22.722 ( -0.253 0.814 0.975) 1.295 22.867 ( -0.163 -0.013 -0.426) 0.456 22.898 ( -0.225 -0.746 -0.084) 0.784 23.460 ( 1.095 4.309 0.151) 4.449 23.664 ( -0.623 2.636 0.504) 2.755 23.779 ( 1.123 -1.733 -1.885) 2.796 24.068 ( 1.804 -2.465 0.840) 3.168 26.713 ( -0.653 0.076 -0.136) 0.671 26.872 ( -0.674 -3.881 0.557) 3.978 27.013 ( -0.738 1.431 0.248) 1.629 27.030 ( -1.008 1.929 0.317) 2.199 29.687 ( -2.660 -0.042 1.075) 2.869 29.707 ( -2.445 2.034 -1.033) 3.344 29.938 ( 0.624 -2.768 4.118) 5.001 30.011 ( -5.735 -2.155 -3.714) 7.164 31.974 ( -0.065 2.803 -0.149) 2.808 32.000 ( 0.647 4.082 0.863) 4.222 32.384 ( -1.964 -3.356 -1.353) 4.117 32.452 ( -0.039 -2.641 1.074) 2.851 33.521 ( 0.024 0.652 -0.729) 0.978 33.586 ( 0.525 2.708 0.112) 2.760 33.711 ( 0.666 -1.538 -0.492) 1.747 33.875 ( 1.524 -2.058 0.958) 2.734 35.316 ( 0.822 0.172 0.451) 0.953 35.353 ( -0.796 -0.314 0.231) 0.886 35.405 ( -0.205 2.028 -0.505) 2.100 35.473 ( 0.207 0.483 -0.318) 0.614 89.087 ( 2.506 -0.491 -1.949) 3.212 89.154 ( 3.302 -1.948 -3.894) 5.464 89.383 ( 2.752 1.091 -0.645) 3.030 89.631 ( 3.990 -2.592 2.210) 5.246 92.223 ( -0.378 2.071 -1.283) 2.465 92.408 ( 0.425 -1.304 1.051) 1.728 92.520 ( 2.003 2.742 1.892) 3.887 92.714 ( -1.628 -1.737 4.514) 5.103 97.879 ( 0.393 1.550 0.717) 1.752 97.884 ( -0.470 1.224 -0.200) 1.326 97.971 ( -4.457 -0.257 -3.939) 5.954 98.394 ( -0.155 -6.397 4.005) 7.549 103.701 ( -0.012 -0.292 -0.085) 0.304 103.708 ( 0.240 -0.268 0.265) 0.447 103.799 ( -0.610 1.431 -0.745) 1.725 103.831 ( -0.378 1.883 -0.222) 1.933 ======================= Grid point 13 (10/112) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.376 -3.673 4.621) 5.915 1.145 ( 5.854 5.157 -5.737) 9.684 1.502 ( -0.594 -0.817 -2.198) 2.419 1.616 ( 0.378 -1.456 5.569) 5.768 1.716 ( -2.119 -0.855 0.264) 2.300 1.812 ( -4.349 -0.408 -7.785) 8.927 2.043 ( 2.942 -2.520 -0.414) 3.896 2.074 ( -3.562 -4.554 3.585) 6.803 2.169 ( 1.425 0.776 -2.944) 3.362 2.263 ( -2.313 1.202 2.696) 3.750 2.300 ( -2.678 1.717 1.949) 3.730 2.369 ( 0.504 4.291 3.277) 5.423 2.570 ( 0.423 -3.890 2.865) 4.850 2.621 ( -0.596 -0.238 2.622) 2.699 2.642 ( 0.017 4.514 0.289) 4.523 2.705 ( 0.640 -2.748 0.726) 2.914 2.919 ( 2.319 -2.409 7.064) 7.815 3.063 ( 0.815 -2.144 -3.365) 4.072 3.104 ( -2.136 -1.767 -7.545) 8.038 3.237 ( 2.262 -2.119 0.936) 3.237 3.263 ( 2.165 -6.574 0.323) 6.929 3.464 ( -0.658 -0.855 -2.530) 2.750 3.496 ( 0.134 1.467 0.319) 1.507 3.675 ( 1.210 0.921 -1.917) 2.447 4.245 ( -0.416 0.451 0.389) 0.727 4.419 ( 0.280 0.819 -2.315) 2.472 4.437 ( -4.059 -0.248 1.896) 4.486 4.559 ( -0.334 1.138 -0.963) 1.528 4.631 ( 1.489 -0.784 3.180) 3.598 4.678 ( 1.484 0.021 2.255) 2.700 4.737 ( -2.846 -4.527 0.054) 5.347 4.844 ( -1.410 2.085 -4.726) 5.354 4.964 ( -3.999 -0.860 -3.437) 5.343 5.112 ( -0.129 1.140 0.063) 1.149 5.165 ( -2.051 4.120 -1.065) 4.723 5.233 ( -1.851 1.542 -1.510) 2.843 5.418 ( -1.927 1.753 -0.329) 2.626 5.438 ( 0.761 -1.638 5.651) 5.933 5.502 ( -0.586 -1.799 -4.656) 5.026 5.640 ( 0.625 2.459 0.309) 2.556 5.837 ( -0.938 -10.948 -0.374) 10.994 5.901 ( 0.777 -9.343 -0.474) 9.387 6.076 ( 4.651 -0.889 -0.864) 4.813 6.158 ( -6.753 -2.589 1.732) 7.437 6.369 ( -0.359 -4.196 2.078) 4.696 6.485 ( 3.636 9.976 -0.694) 10.641 6.532 ( 1.962 2.521 0.268) 3.206 6.569 ( -0.940 0.126 2.803) 2.959 6.807 ( 0.454 3.624 7.935) 8.735 6.867 ( 5.581 -2.639 -6.439) 8.920 6.993 ( -0.194 4.034 -0.944) 4.147 7.010 ( 1.754 -1.713 -2.576) 3.556 7.228 ( 0.496 0.596 1.470) 1.662 7.376 ( -0.912 -3.297 -0.933) 3.545 7.541 ( 0.927 7.760 -1.869) 8.036 7.841 ( 2.336 12.854 -1.104) 13.111 7.912 ( -5.995 5.896 -1.796) 8.598 8.249 ( -1.014 4.437 0.435) 4.572 8.344 ( -0.313 2.584 0.964) 2.776 8.621 ( 0.016 -3.749 -0.342) 3.765 8.712 ( -3.720 0.439 -2.964) 4.777 9.145 ( 3.585 -1.637 -0.033) 3.942 9.324 ( 0.637 5.713 0.260) 5.754 9.817 ( 0.791 -7.463 0.487) 7.521 9.926 ( -2.198 0.831 0.509) 2.404 10.120 ( 1.405 0.404 -0.106) 1.465 10.347 ( 6.627 -0.612 -6.534) 9.326 10.415 ( -7.899 -2.679 10.783) 13.632 10.503 ( -0.359 -0.643 -3.477) 3.554 10.722 ( 0.936 3.135 1.062) 3.440 10.920 ( 0.548 -5.540 1.093) 5.674 11.338 ( 2.121 -5.105 2.693) 6.149 21.295 ( -0.463 0.864 0.407) 1.061 21.491 ( -0.053 -2.048 0.029) 2.049 21.606 ( 0.113 -0.352 0.871) 0.947 21.677 ( -0.110 -1.427 0.011) 1.431 22.647 ( -0.502 0.529 -0.569) 0.925 22.728 ( -0.057 0.597 0.418) 0.731 22.862 ( -0.055 0.159 -0.215) 0.273 22.894 ( -0.115 -1.139 0.010) 1.145 23.475 ( 0.470 4.059 0.100) 4.087 23.662 ( -0.195 2.679 0.223) 2.695 23.776 ( 0.399 -1.507 -0.793) 1.749 24.096 ( 0.714 -2.720 0.335) 2.832 26.704 ( -0.291 -0.177 -0.040) 0.343 26.861 ( -0.597 -4.048 -0.073) 4.093 27.004 ( -0.395 1.178 -0.030) 1.243 27.032 ( 0.030 2.406 0.628) 2.487 29.646 ( -1.356 0.633 -0.506) 1.579 29.685 ( -0.708 2.412 0.301) 2.532 29.904 ( -2.275 -2.479 -1.488) 3.679 29.990 ( 0.341 -2.337 1.639) 2.875 31.972 ( -0.019 2.327 -0.055) 2.328 32.015 ( 0.299 3.964 0.366) 3.992 32.349 ( -0.834 -3.174 -0.608) 3.338 32.458 ( -0.111 -2.653 0.359) 2.679 33.515 ( -0.018 0.664 -0.224) 0.701 33.595 ( 0.258 3.052 0.119) 3.065 33.715 ( 0.285 -1.707 -0.190) 1.741 33.900 ( 0.545 -2.161 0.359) 2.258 35.329 ( 0.339 -0.560 0.096) 0.661 35.348 ( -0.199 -0.496 0.185) 0.566 35.399 ( -0.077 2.118 -0.144) 2.125 35.472 ( 0.023 0.581 -0.108) 0.592 89.102 ( 1.063 -0.504 -0.807) 1.427 89.159 ( 0.868 -1.313 -1.129) 1.937 89.411 ( 1.095 1.020 -0.117) 1.501 89.694 ( 1.554 -2.976 0.849) 3.463 92.209 ( -0.141 2.246 -0.484) 2.302 92.419 ( -0.007 -1.262 0.490) 1.354 92.571 ( 1.875 1.090 0.523) 2.231 92.724 ( -1.361 -1.505 2.063) 2.894 97.867 ( -0.693 0.222 0.318) 0.794 97.879 ( -1.286 0.172 -1.880) 2.284 97.904 ( 0.091 2.650 0.020) 2.651 98.421 ( -0.063 -5.352 1.296) 5.507 103.693 ( -0.174 -0.400 -0.226) 0.491 103.724 ( 0.438 -0.756 0.478) 0.996 103.783 ( -0.398 1.816 -0.461) 1.915 103.826 ( -0.086 1.443 -0.025) 1.446 ======================= Grid point 18 (11/112) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 16.878 0.000) 16.878 0.981 ( 0.000 21.991 0.000) 21.991 1.164 ( 0.000 23.609 0.000) 23.609 1.398 ( 0.000 -9.300 0.000) 9.300 1.802 ( 0.000 -15.106 0.000) 15.106 1.922 ( 0.000 1.688 0.000) 1.688 2.074 ( 0.000 0.925 0.000) 0.925 2.111 ( 0.000 -7.661 0.000) 7.661 2.155 ( 0.000 -4.855 0.000) 4.855 2.179 ( 0.000 -3.962 0.000) 3.962 2.430 ( 0.000 7.405 0.000) 7.405 2.453 ( 0.000 -1.040 0.000) 1.040 2.554 ( 0.000 -3.010 0.000) 3.010 2.687 ( 0.000 0.680 0.000) 0.680 2.787 ( 0.000 0.918 0.000) 0.918 2.884 ( 0.000 2.584 0.000) 2.584 2.894 ( 0.000 -8.325 0.000) 8.325 2.946 ( 0.000 3.732 0.000) 3.732 3.037 ( 0.000 -5.591 0.000) 5.591 3.062 ( 0.000 10.163 0.000) 10.163 3.143 ( 0.000 -4.019 0.000) 4.019 3.446 ( 0.000 -6.588 0.000) 6.588 3.570 ( 0.000 2.165 0.000) 2.165 3.613 ( 0.000 0.027 0.000) 0.027 4.303 ( 0.000 1.059 0.000) 1.059 4.467 ( 0.000 -2.104 0.000) 2.104 4.500 ( 0.000 -3.735 0.000) 3.735 4.569 ( 0.000 -2.205 0.000) 2.205 4.723 ( 0.000 -1.855 0.000) 1.855 4.729 ( 0.000 -3.442 0.000) 3.442 4.866 ( 0.000 -0.647 0.000) 0.647 4.934 ( 0.000 -0.855 0.000) 0.855 5.061 ( 0.000 -3.512 0.000) 3.512 5.085 ( 0.000 -3.859 0.000) 3.859 5.278 ( 0.000 1.322 0.000) 1.322 5.365 ( 0.000 -2.117 0.000) 2.117 5.512 ( 0.000 -0.227 0.000) 0.227 5.537 ( 0.000 -2.111 0.000) 2.111 5.618 ( 0.000 2.697 0.000) 2.697 5.676 ( 0.000 0.304 0.000) 0.304 5.883 ( 0.000 1.720 0.000) 1.720 5.901 ( 0.000 0.491 0.000) 0.491 6.041 ( 0.000 2.961 0.000) 2.961 6.166 ( 0.000 -1.264 0.000) 1.264 6.226 ( 0.000 4.649 0.000) 4.649 6.336 ( 0.000 4.010 0.000) 4.010 6.418 ( 0.000 -4.432 0.000) 4.432 6.525 ( 0.000 -2.449 0.000) 2.449 6.905 ( 0.000 -0.889 0.000) 0.889 6.908 ( 0.000 3.312 0.000) 3.312 7.052 ( 0.000 9.445 0.000) 9.445 7.201 ( 0.000 4.610 0.000) 4.610 7.365 ( 0.000 -0.275 0.000) 0.275 7.461 ( 0.000 -6.593 0.000) 6.593 7.690 ( 0.000 4.212 0.000) 4.212 7.901 ( 0.000 -7.566 0.000) 7.566 8.038 ( 0.000 1.879 0.000) 1.879 8.130 ( 0.000 -1.276 0.000) 1.276 8.633 ( 0.000 8.786 0.000) 8.786 8.732 ( 0.000 12.055 0.000) 12.055 8.915 ( 0.000 -1.685 0.000) 1.685 9.169 ( 0.000 8.164 0.000) 8.164 9.206 ( 0.000 -7.901 0.000) 7.901 9.428 ( 0.000 -4.908 0.000) 4.908 10.050 ( 0.000 -0.269 0.000) 0.269 10.071 ( 0.000 -1.318 0.000) 1.318 10.232 ( 0.000 -0.243 0.000) 0.243 10.276 ( 0.000 -1.527 0.000) 1.527 10.439 ( 0.000 1.698 0.000) 1.698 10.639 ( 0.000 -5.813 0.000) 5.813 10.841 ( 0.000 3.269 0.000) 3.269 10.973 ( 0.000 -3.426 0.000) 3.426 21.323 ( 0.000 2.828 0.000) 2.828 21.457 ( 0.000 -2.925 0.000) 2.925 21.551 ( 0.000 0.896 0.000) 0.896 21.626 ( 0.000 -2.319 0.000) 2.319 22.760 ( 0.000 -0.311 0.000) 0.311 22.761 ( 0.000 -0.281 0.000) 0.281 22.869 ( 0.000 0.836 0.000) 0.836 22.894 ( 0.000 -0.223 0.000) 0.223 23.557 ( 0.000 2.890 0.000) 2.890 23.702 ( 0.000 -3.298 0.000) 3.298 23.764 ( 0.000 3.921 0.000) 3.921 23.922 ( 0.000 -2.986 0.000) 2.986 26.751 ( 0.000 0.908 0.000) 0.908 26.799 ( 0.000 -1.193 0.000) 1.193 27.081 ( 0.000 0.861 0.000) 0.861 27.117 ( 0.000 -0.661 0.000) 0.661 29.548 ( 0.000 1.920 0.000) 1.920 29.689 ( 0.000 -4.016 0.000) 4.016 29.989 ( 0.000 6.768 0.000) 6.768 30.277 ( 0.000 -5.920 0.000) 5.920 32.061 ( 0.000 5.200 0.000) 5.200 32.126 ( 0.000 6.277 0.000) 6.277 32.297 ( 0.000 -4.983 0.000) 4.983 32.399 ( 0.000 -5.727 0.000) 5.727 33.561 ( 0.000 2.641 0.000) 2.641 33.633 ( 0.000 2.053 0.000) 2.053 33.676 ( 0.000 -2.051 0.000) 2.051 33.727 ( 0.000 -2.356 0.000) 2.356 35.321 ( 0.000 2.712 0.000) 2.712 35.418 ( 0.000 -0.968 0.000) 0.968 35.462 ( 0.000 0.738 0.000) 0.738 35.517 ( 0.000 -2.126 0.000) 2.126 88.998 ( 0.000 0.800 0.000) 0.800 89.033 ( 0.000 -0.708 0.000) 0.708 89.321 ( 0.000 0.346 0.000) 0.346 89.363 ( 0.000 -1.463 0.000) 1.463 92.322 ( 0.000 2.435 0.000) 2.435 92.398 ( 0.000 -0.495 0.000) 0.495 92.601 ( 0.000 -1.139 0.000) 1.139 92.606 ( 0.000 -0.903 0.000) 0.903 97.827 ( 0.000 0.983 0.000) 0.983 97.872 ( 0.000 -1.038 0.000) 1.038 98.025 ( 0.000 3.971 0.000) 3.971 98.224 ( 0.000 -4.717 0.000) 4.717 103.690 ( 0.000 1.052 0.000) 1.052 103.733 ( 0.000 -0.990 0.000) 0.990 103.876 ( 0.000 2.255 0.000) 2.255 103.963 ( 0.000 -1.676 0.000) 1.676 ======================= Grid point 19 (12/112) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 2.473 16.532 5.503) 17.598 1.039 ( 7.888 20.673 -1.468) 22.176 1.276 ( 6.617 13.069 8.477) 16.924 1.428 ( 2.444 -5.548 1.908) 6.355 1.814 ( 1.030 -13.421 0.426) 13.467 1.926 ( -3.384 -0.671 4.527) 5.692 2.045 ( 0.734 1.004 -4.939) 5.093 2.094 ( 1.330 -7.328 -4.213) 8.557 2.141 ( -0.699 -2.267 1.562) 2.840 2.222 ( -0.215 -1.018 2.604) 2.804 2.387 ( -3.601 -1.952 -1.950) 4.537 2.458 ( 0.007 5.938 3.120) 6.708 2.499 ( -5.401 -2.429 -0.853) 5.984 2.695 ( -1.940 0.216 1.823) 2.671 2.756 ( -6.274 -0.122 1.867) 6.547 2.774 ( -6.239 -1.395 -1.111) 6.489 2.891 ( -3.396 -0.957 1.868) 3.993 2.909 ( -3.363 2.192 -0.572) 4.055 3.016 ( 1.618 -3.593 -0.356) 3.957 3.126 ( 0.729 -0.947 -0.165) 1.206 3.185 ( 5.683 0.955 0.104) 5.764 3.450 ( 1.296 -5.002 -1.449) 5.366 3.600 ( 3.280 1.825 -0.617) 3.804 3.624 ( 3.150 0.859 -2.301) 3.994 4.315 ( -0.146 0.939 1.357) 1.656 4.441 ( -1.206 -2.123 -1.045) 2.656 4.503 ( -0.655 0.182 2.002) 2.114 4.597 ( 0.051 -3.260 4.729) 5.744 4.704 ( -2.842 -2.046 2.647) 4.390 4.725 ( -1.066 -1.973 -3.290) 3.982 4.829 ( -1.510 0.703 -1.697) 2.377 4.898 ( -2.343 -2.232 -2.905) 4.348 5.054 ( -1.106 -2.730 3.321) 4.439 5.071 ( -2.450 -3.862 -0.833) 4.649 5.272 ( -2.509 -1.759 -1.787) 3.548 5.294 ( -0.669 -1.809 1.503) 2.445 5.476 ( -0.966 3.014 -2.060) 3.777 5.592 ( 2.069 1.666 -3.627) 4.496 5.685 ( 2.145 -1.566 -1.164) 2.899 5.700 ( 4.086 -2.346 0.598) 4.749 5.880 ( -1.865 0.873 -0.795) 2.207 5.921 ( -0.683 0.482 7.068) 7.117 6.086 ( 1.948 3.934 4.035) 5.963 6.173 ( 0.860 1.125 -0.185) 1.428 6.234 ( 0.635 0.859 2.938) 3.126 6.320 ( -1.012 6.399 -1.329) 6.614 6.373 ( -4.399 -4.398 0.671) 6.256 6.584 ( 6.818 -4.012 -1.224) 8.005 6.837 ( -5.495 1.876 -5.167) 7.772 6.838 ( 0.008 -0.644 -11.441) 11.459 6.976 ( -1.838 7.540 -5.113) 9.294 7.206 ( -1.150 3.053 0.958) 3.400 7.380 ( -5.453 -2.923 -3.899) 7.313 7.408 ( 3.550 -1.502 0.263) 3.864 7.658 ( -1.094 4.052 -1.836) 4.581 7.913 ( 4.542 -7.305 -2.200) 8.879 8.085 ( -0.761 6.219 9.098) 11.047 8.247 ( 4.662 -0.851 6.727) 8.229 8.605 ( -0.393 10.363 -6.554) 12.268 8.759 ( 1.526 6.464 3.477) 7.497 8.879 ( 0.808 1.193 -7.569) 7.705 9.051 ( -5.364 -0.683 -2.227) 5.848 9.325 ( 3.977 -2.159 3.766) 5.887 9.446 ( 3.153 -4.412 -0.626) 5.459 10.009 ( -3.099 0.513 -0.132) 3.144 10.063 ( -0.724 -2.075 -0.898) 2.374 10.253 ( 1.635 -0.325 0.594) 1.769 10.283 ( 1.722 -1.776 -0.772) 2.592 10.490 ( 3.327 2.180 3.934) 5.594 10.672 ( 4.249 -4.199 -2.776) 6.587 10.838 ( -3.964 2.205 6.092) 7.595 10.945 ( -4.615 -3.384 3.538) 6.727 21.327 ( -0.572 2.485 1.332) 2.877 21.454 ( -0.261 -2.888 -0.123) 2.903 21.556 ( -0.006 0.822 0.855) 1.186 21.628 ( 0.054 -2.292 0.314) 2.314 22.746 ( -1.328 0.276 -0.404) 1.416 22.751 ( -1.078 0.011 0.164) 1.091 22.866 ( -0.269 0.492 0.120) 0.574 22.900 ( 0.522 -0.599 -0.450) 0.913 23.551 ( 0.113 3.885 -0.893) 3.988 23.708 ( 0.937 -3.353 -0.382) 3.502 23.758 ( -0.318 4.237 -0.300) 4.260 23.934 ( 1.022 -3.382 0.469) 3.564 26.748 ( -0.348 0.908 -0.022) 0.973 26.803 ( -0.107 -1.488 0.769) 1.678 27.072 ( -0.958 0.851 -0.137) 1.288 27.101 ( -1.099 -0.274 -0.896) 1.444 29.595 ( 1.776 0.522 4.416) 4.788 29.715 ( 1.233 -3.875 2.831) 4.955 29.957 ( -2.986 6.047 -1.267) 6.862 30.222 ( -4.516 -5.520 -2.947) 7.717 32.068 ( 0.351 5.424 0.699) 5.480 32.112 ( -1.047 6.428 -0.617) 6.542 32.311 ( 0.713 -5.124 1.082) 5.285 32.385 ( -1.221 -5.668 -0.576) 5.827 33.562 ( 0.465 2.341 -0.657) 2.476 33.623 ( -0.248 1.621 -0.576) 1.738 33.680 ( 0.250 -1.226 -0.059) 1.252 33.744 ( 1.402 -2.570 0.849) 3.048 35.322 ( -0.121 2.350 0.242) 2.366 35.402 ( -1.924 -0.699 0.232) 2.060 35.467 ( 0.330 0.448 -0.005) 0.556 35.493 ( -0.698 -0.496 -2.201) 2.361 89.026 ( 4.962 -0.385 -3.528) 6.100 89.042 ( 1.213 -0.730 0.221) 1.433 89.333 ( 2.355 0.816 -1.071) 2.713 89.399 ( 3.056 -1.985 1.393) 3.901 92.314 ( -0.319 2.507 -0.883) 2.677 92.391 ( 0.122 -0.497 -1.291) 1.389 92.579 ( -2.802 1.057 0.729) 3.082 92.613 ( -0.184 -1.478 2.193) 2.651 97.846 ( 1.278 1.626 1.700) 2.677 97.933 ( 2.080 -1.666 3.819) 4.657 98.026 ( 0.746 1.462 0.637) 1.761 98.193 ( -2.659 -4.574 -1.266) 5.440 103.691 ( 0.044 0.934 0.196) 0.955 103.728 ( -0.439 -0.790 -0.273) 0.944 103.869 ( -0.594 2.080 -0.422) 2.204 103.933 ( -2.020 -0.356 -1.486) 2.533 ======================= Grid point 20 (13/112) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 1.597 12.761 8.406) 15.364 1.174 ( 12.106 17.491 -5.070) 21.867 1.427 ( 0.437 -8.784 4.433) 9.849 1.541 ( 4.706 3.777 6.489) 8.861 1.841 ( 3.671 -6.235 -1.778) 7.451 1.874 ( -6.460 -6.751 0.314) 9.349 2.024 ( -1.648 3.788 0.790) 4.206 2.075 ( 4.608 -1.923 -7.259) 8.811 2.162 ( 0.750 -1.759 -0.058) 1.913 2.205 ( -0.961 -0.390 2.909) 3.089 2.346 ( -5.057 0.491 3.999) 6.466 2.398 ( -6.719 -0.093 2.970) 7.347 2.493 ( -1.679 2.479 2.957) 4.208 2.611 ( -6.339 -3.427 4.113) 8.297 2.684 ( -5.115 -3.903 1.779) 6.676 2.724 ( -4.081 0.915 3.117) 5.216 2.838 ( -2.350 3.207 -1.976) 4.440 2.879 ( -0.473 -2.967 1.920) 3.565 3.056 ( 2.559 -3.707 0.316) 4.516 3.112 ( -0.242 -4.618 -2.130) 5.091 3.253 ( 4.429 2.094 -3.709) 6.145 3.455 ( 1.243 -3.453 -1.376) 3.920 3.616 ( 0.879 3.169 -2.132) 3.920 3.672 ( 5.668 0.939 -4.100) 7.059 4.304 ( -2.266 1.751 0.697) 2.947 4.442 ( 0.432 -2.757 0.990) 2.961 4.525 ( -0.688 2.540 4.302) 5.043 4.622 ( -3.672 0.947 -2.155) 4.361 4.661 ( -1.752 -0.829 3.720) 4.194 4.677 ( -2.389 -0.143 -0.454) 2.436 4.803 ( -2.574 -3.261 -2.345) 4.771 4.838 ( 0.852 -3.224 0.488) 3.370 5.001 ( -4.431 -1.987 -0.342) 4.868 5.093 ( -0.789 -5.247 4.674) 7.071 5.251 ( 0.037 -1.981 -0.544) 2.055 5.276 ( -2.914 -3.974 0.237) 4.934 5.410 ( -0.233 4.240 -4.577) 6.243 5.615 ( 3.805 0.371 -3.406) 5.120 5.677 ( -1.389 -3.551 -2.433) 4.523 5.712 ( 0.436 0.813 -2.227) 2.411 5.791 ( -4.937 3.390 -4.556) 7.525 5.926 ( -4.597 1.477 0.331) 4.840 6.145 ( -3.726 5.390 1.483) 6.719 6.213 ( -0.437 -0.671 10.026) 10.058 6.269 ( -3.141 -0.948 2.979) 4.432 6.314 ( 3.242 -1.356 0.287) 3.526 6.362 ( 2.494 1.144 2.936) 4.018 6.643 ( -3.052 -2.503 -3.995) 5.616 6.695 ( 1.403 0.928 -3.245) 3.655 6.760 ( 8.440 -3.101 -9.455) 13.048 6.940 ( 3.612 7.137 -4.920) 9.391 7.191 ( -0.582 -1.288 -1.074) 1.775 7.251 ( -3.884 2.289 -4.505) 6.373 7.418 ( -1.810 -3.486 -1.863) 4.348 7.662 ( 4.132 7.573 -1.572) 8.770 8.000 ( 5.199 -6.442 1.645) 8.440 8.163 ( -1.970 11.177 8.147) 13.971 8.349 ( -0.006 1.542 5.143) 5.370 8.479 ( -3.357 9.435 -9.502) 13.806 8.758 ( -3.305 0.534 -6.280) 7.116 8.858 ( 2.621 1.632 0.849) 3.202 8.973 ( 0.445 -2.661 -3.661) 4.548 9.391 ( 1.988 2.045 0.878) 2.984 9.521 ( 4.855 -6.224 1.256) 7.993 9.985 ( -1.027 -0.436 1.485) 1.858 10.035 ( -0.463 -2.085 -1.517) 2.620 10.277 ( 2.530 0.048 -2.129) 3.307 10.323 ( 1.168 -3.046 2.953) 4.401 10.609 ( 5.050 2.838 4.574) 7.380 10.662 ( -1.136 0.035 -3.455) 3.638 10.831 ( -5.575 0.170 5.740) 8.004 10.972 ( 0.247 -5.979 9.119) 10.907 21.330 ( -0.862 2.070 1.327) 2.606 21.447 ( -0.383 -2.842 -0.135) 2.870 21.569 ( 0.081 0.592 1.407) 1.529 21.633 ( 0.056 -2.189 0.477) 2.241 22.717 ( -1.415 0.743 -0.711) 1.749 22.738 ( -0.931 0.380 0.665) 1.205 22.864 ( -0.170 -0.052 0.054) 0.186 22.895 ( -0.333 -0.809 -0.657) 1.094 23.550 ( 0.909 4.797 -0.647) 4.925 23.720 ( 1.133 -3.219 -0.683) 3.481 23.751 ( -0.027 4.716 -0.439) 4.737 23.961 ( 1.455 -4.110 0.649) 4.408 26.738 ( -0.871 0.897 -0.079) 1.253 26.808 ( -0.552 -2.346 0.782) 2.534 27.053 ( -1.111 0.964 -0.018) 1.471 27.073 ( -1.185 0.319 -0.422) 1.298 29.667 ( 0.742 0.387 4.414) 4.493 29.775 ( 1.335 -2.929 3.127) 4.487 29.879 ( -4.290 3.770 -0.959) 5.792 30.088 ( -6.560 -4.675 -4.303) 9.132 32.077 ( -0.482 5.445 -0.265) 5.473 32.095 ( -0.121 6.399 0.597) 6.428 32.325 ( -0.693 -5.440 -0.031) 5.484 32.361 ( -0.690 -5.302 0.341) 5.358 33.558 ( 0.154 2.067 -0.918) 2.267 33.624 ( 0.902 1.402 -0.197) 1.679 33.681 ( 0.139 -0.487 -0.228) 0.556 33.781 ( 1.736 -2.977 1.086) 3.613 35.323 ( -0.147 1.460 0.335) 1.505 35.370 ( -1.954 -0.395 0.135) 1.998 35.457 ( -0.504 1.140 -0.970) 1.579 35.478 ( 0.687 0.127 -0.834) 1.088 89.056 ( 3.127 -0.343 -2.435) 3.978 89.080 ( 3.749 -1.697 -1.794) 4.489 89.371 ( 3.610 1.626 -1.072) 4.102 89.477 ( 4.347 -2.955 1.623) 5.501 92.296 ( -0.382 2.699 -1.204) 2.980 92.380 ( 0.206 -0.768 -0.931) 1.224 92.558 ( -1.333 2.477 1.964) 3.431 92.640 ( -0.383 -2.118 3.459) 4.074 97.894 ( 1.627 2.701 2.231) 3.863 97.943 ( -1.443 2.030 -0.649) 2.574 98.047 ( -1.892 -1.973 -1.502) 3.119 98.167 ( 0.697 -7.056 3.541) 7.926 103.696 ( 0.132 0.544 0.350) 0.660 103.715 ( -0.623 -0.360 -0.447) 0.847 103.851 ( -0.777 1.761 -0.593) 2.014 103.888 ( -1.572 0.707 -1.104) 2.048 ======================= Grid point 21 (14/112) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.102 5.315 6.847) 8.668 1.277 ( 8.688 11.678 -7.917) 16.569 1.409 ( -6.501 -9.879 2.433) 12.073 1.624 ( 2.498 1.865 0.419) 3.146 1.753 ( -1.477 -5.294 -7.133) 9.005 1.919 ( 3.804 0.134 2.039) 4.318 1.972 ( -4.988 5.504 1.653) 7.609 2.082 ( 0.669 -2.280 -4.596) 5.174 2.185 ( -0.999 -5.158 0.006) 5.254 2.221 ( 0.667 0.075 5.417) 5.458 2.323 ( -1.260 2.101 1.954) 3.134 2.351 ( -4.840 -1.468 5.840) 7.726 2.532 ( 0.768 2.198 6.619) 7.017 2.565 ( -6.016 -1.064 4.064) 7.338 2.647 ( -1.647 -2.928 0.576) 3.409 2.703 ( -4.199 -2.387 5.514) 7.330 2.796 ( 0.010 0.927 -0.675) 1.147 2.943 ( 4.380 -4.027 2.705) 6.536 3.074 ( 1.094 -4.036 -2.129) 4.693 3.109 ( 1.494 -5.348 0.263) 5.559 3.245 ( 2.354 3.534 -7.181) 8.342 3.459 ( 0.384 -3.215 -0.838) 3.345 3.590 ( -0.131 4.441 -3.500) 5.656 3.696 ( 3.046 0.338 -4.470) 5.420 4.277 ( -1.534 2.340 0.565) 2.854 4.441 ( -2.032 -3.369 1.113) 4.088 4.510 ( -3.871 2.005 -1.331) 4.558 4.585 ( -1.323 1.146 3.988) 4.355 4.621 ( -2.866 0.244 -1.186) 3.111 4.675 ( 0.280 2.222 0.634) 2.327 4.711 ( -3.429 -2.877 -2.434) 5.095 4.910 ( 2.086 -6.161 2.754) 7.064 4.942 ( -1.551 1.090 0.216) 1.907 5.104 ( -2.793 -5.190 2.654) 6.463 5.204 ( -2.650 -0.959 -1.534) 3.208 5.256 ( 1.154 -1.804 -1.583) 2.663 5.406 ( 0.729 2.707 0.469) 2.842 5.544 ( -4.418 -2.530 -9.367) 10.661 5.625 ( -1.282 3.468 -2.527) 4.479 5.671 ( -2.305 0.982 0.177) 2.512 5.721 ( 0.471 -0.625 -1.750) 1.917 5.821 ( -5.266 -0.773 -1.985) 5.680 6.058 ( -3.278 1.736 -2.413) 4.425 6.203 ( -9.262 -3.972 1.992) 10.272 6.300 ( -0.506 -0.349 5.506) 5.540 6.392 ( 3.897 -1.426 6.493) 7.705 6.488 ( 5.907 -0.182 2.623) 6.466 6.608 ( 2.998 -0.516 -0.686) 3.118 6.702 ( 3.198 3.995 -2.586) 5.733 6.864 ( 10.075 -4.612 -4.286) 11.880 6.975 ( 3.341 7.093 0.568) 7.861 7.125 ( -0.868 0.733 -6.581) 6.679 7.219 ( 0.624 2.131 1.571) 2.720 7.352 ( -2.113 -3.423 -2.718) 4.855 7.718 ( 3.474 9.908 -0.952) 10.542 8.046 ( -1.631 -1.144 -1.562) 2.532 8.195 ( -2.502 12.694 4.906) 13.837 8.355 ( -0.095 3.007 -3.626) 4.711 8.378 ( -1.307 5.054 1.954) 5.574 8.614 ( -4.443 -2.715 -6.661) 8.455 8.839 ( -1.638 1.419 -4.077) 4.618 9.013 ( 4.555 -3.257 0.063) 5.600 9.424 ( 1.160 4.283 0.634) 4.482 9.605 ( 3.793 -7.078 0.925) 8.084 9.972 ( -2.685 0.176 1.597) 3.129 10.049 ( 3.670 -2.330 -1.052) 4.473 10.299 ( 4.376 -0.141 -3.836) 5.821 10.359 ( -2.273 -2.967 4.876) 6.144 10.587 ( -4.475 1.525 -1.221) 4.883 10.724 ( 3.851 0.479 2.073) 4.400 10.811 ( -3.805 0.241 5.861) 6.992 11.097 ( 2.985 -7.505 7.220) 10.834 21.328 ( -0.747 1.925 0.735) 2.192 21.440 ( -0.311 -2.876 -0.052) 2.893 21.587 ( 0.173 0.262 1.358) 1.393 21.639 ( 0.001 -1.990 0.382) 2.026 22.688 ( -1.090 1.313 -0.654) 1.827 22.735 ( -0.472 0.093 0.692) 0.842 22.861 ( -0.077 -0.326 -0.062) 0.341 22.880 ( -0.628 -0.848 -0.454) 1.149 23.562 ( 1.050 4.860 -0.288) 4.981 23.728 ( 0.772 -2.926 -0.702) 3.107 23.749 ( 0.238 5.204 -0.360) 5.222 23.991 ( 1.314 -4.813 0.616) 5.028 26.720 ( -1.014 0.703 -0.203) 1.251 26.798 ( -1.102 -3.062 0.062) 3.255 27.040 ( -0.644 1.201 0.155) 1.371 27.061 ( -0.497 0.695 0.648) 1.072 29.704 ( -0.847 1.846 1.933) 2.804 29.764 ( -2.229 3.097 -1.413) 4.069 29.865 ( -0.419 -3.690 3.243) 4.931 29.947 ( -4.939 -3.715 -2.917) 6.834 32.058 ( -0.743 4.988 -0.573) 5.076 32.110 ( 0.400 6.120 0.936) 6.204 32.292 ( -1.718 -5.237 -1.120) 5.624 32.369 ( 0.026 -5.155 0.988) 5.249 33.551 ( 0.062 2.158 -0.646) 2.253 33.642 ( 1.274 0.929 0.086) 1.579 33.680 ( 0.015 0.214 -0.202) 0.295 33.817 ( 1.307 -3.350 0.844) 3.694 35.324 ( -0.099 0.536 0.225) 0.590 35.347 ( -1.083 -0.357 0.113) 1.146 35.445 ( 0.018 1.670 -0.573) 1.766 35.480 ( 0.279 0.063 -0.308) 0.420 89.078 ( 2.339 -0.177 -1.621) 2.851 89.112 ( 2.488 -1.778 -1.558) 3.432 89.417 ( 3.031 2.275 -0.601) 3.837 89.560 ( 3.689 -3.896 1.284) 5.517 92.279 ( -0.237 2.996 -0.930) 3.146 92.380 ( 0.310 -1.493 -0.051) 1.526 92.574 ( 0.486 2.261 1.705) 2.873 92.668 ( -0.786 -2.442 3.310) 4.188 97.900 ( -1.467 1.083 -1.079) 2.119 97.933 ( -1.142 1.277 -0.276) 1.736 97.977 ( -1.202 2.390 -1.183) 2.925 98.236 ( 1.431 -7.916 3.633) 8.827 103.699 ( -0.333 0.053 -0.243) 0.415 103.704 ( 0.034 -0.133 0.221) 0.260 103.834 ( -0.599 1.645 -0.511) 1.824 103.861 ( -0.780 0.760 -0.445) 1.177 ======================= Grid point 22 (15/112) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -1.963 -0.643 0.866) 2.240 1.295 ( 2.287 3.901 -3.118) 5.492 1.353 ( -2.365 -7.042 1.757) 7.634 1.601 ( -0.908 -4.292 -3.486) 5.604 1.763 ( 6.281 8.295 -1.350) 10.492 1.892 ( -6.594 6.677 1.101) 9.449 1.972 ( -0.332 -1.050 1.860) 2.162 2.026 ( -1.232 -2.116 -1.338) 2.790 2.186 ( 2.462 0.647 0.058) 2.546 2.272 ( 0.470 -1.599 -1.632) 2.333 2.340 ( -1.649 1.317 3.660) 4.225 2.355 ( -0.941 -6.286 2.182) 6.720 2.508 ( -0.272 0.356 1.213) 1.293 2.598 ( -2.134 -7.727 0.963) 8.074 2.645 ( -0.184 1.055 2.282) 2.521 2.684 ( -2.045 -1.051 1.076) 2.539 2.868 ( 2.885 -0.215 7.943) 8.454 3.006 ( 1.577 -0.968 -2.818) 3.371 3.073 ( 0.461 -4.146 -0.387) 4.190 3.109 ( 0.266 -4.052 -4.818) 6.301 3.244 ( 3.121 2.279 1.735) 4.236 3.428 ( -1.915 -3.469 -2.569) 4.722 3.555 ( -0.189 4.421 -1.504) 4.674 3.686 ( 0.730 -0.304 -2.060) 2.207 4.273 ( -0.042 2.410 0.590) 2.481 4.415 ( -1.674 -2.172 0.455) 2.779 4.446 ( -1.703 1.713 -1.100) 2.654 4.558 ( -1.766 -2.172 -1.077) 3.000 4.605 ( 0.022 -0.627 1.558) 1.680 4.651 ( -2.565 -3.105 -0.502) 4.059 4.710 ( 1.886 3.465 1.631) 4.269 4.916 ( -2.057 -3.103 -1.939) 4.198 4.934 ( 0.192 5.223 0.851) 5.296 5.111 ( 1.587 -1.598 0.848) 2.406 5.193 ( -1.271 -1.028 4.178) 4.486 5.239 ( 0.953 -1.454 -4.987) 5.281 5.393 ( -2.099 -2.512 -0.804) 3.371 5.406 ( -2.732 -2.739 -2.121) 4.412 5.567 ( -1.129 6.464 -1.950) 6.845 5.665 ( -0.231 -0.175 1.943) 1.965 5.700 ( -0.663 0.407 -2.371) 2.495 5.774 ( 0.059 -3.170 -0.130) 3.173 6.020 ( 1.289 -3.714 -1.828) 4.335 6.078 ( -6.073 -4.747 0.520) 7.726 6.341 ( -0.035 1.557 2.225) 2.716 6.512 ( 3.046 -2.002 3.689) 5.187 6.554 ( 0.039 -1.064 1.025) 1.478 6.646 ( 0.750 -6.698 0.138) 6.742 6.746 ( 3.395 10.186 -0.766) 10.764 6.953 ( 6.239 0.528 -3.764) 7.306 7.019 ( -1.959 3.312 2.658) 4.677 7.077 ( 1.189 2.028 -1.592) 2.840 7.262 ( 1.519 1.351 1.836) 2.740 7.308 ( -0.484 -2.426 -1.646) 2.971 7.740 ( 0.479 10.421 -0.344) 10.437 7.952 ( -2.906 2.799 -3.766) 5.519 8.201 ( -1.114 13.997 2.133) 14.202 8.352 ( 0.710 0.848 -1.202) 1.633 8.384 ( -1.232 4.816 2.656) 5.636 8.517 ( -0.169 -5.663 -3.291) 6.552 8.768 ( -1.624 4.628 -2.452) 5.483 9.068 ( 1.778 -6.087 0.155) 6.343 9.441 ( 0.318 4.702 0.294) 4.722 9.655 ( 1.470 -7.166 0.248) 7.319 9.951 ( -1.075 1.916 0.539) 2.262 10.095 ( 2.099 -2.829 -0.216) 3.530 10.332 ( 5.583 -0.624 -5.604) 7.935 10.359 ( -4.661 -2.157 6.140) 8.005 10.513 ( -2.942 2.262 -0.358) 3.728 10.761 ( 0.066 -6.945 0.558) 6.968 10.838 ( 0.156 5.809 2.478) 6.317 11.191 ( 1.477 -8.452 2.697) 8.994 21.324 ( -0.295 1.917 0.210) 1.951 21.436 ( -0.115 -2.948 -0.003) 2.950 21.600 ( 0.108 -0.019 0.591) 0.601 21.641 ( -0.026 -1.778 0.117) 1.782 22.671 ( -0.420 1.711 -0.269) 1.782 22.735 ( -0.148 -0.232 0.280) 0.392 22.861 ( 0.093 -0.273 -0.090) 0.302 22.869 ( -0.379 -0.992 -0.098) 1.067 23.573 ( 0.438 4.687 -0.080) 4.708 23.730 ( 0.273 -2.756 -0.329) 2.789 23.750 ( 0.131 5.596 -0.102) 5.599 24.011 ( 0.535 -5.229 0.258) 5.262 26.706 ( -0.458 0.459 -0.123) 0.660 26.782 ( -0.588 -3.250 -0.130) 3.305 27.034 ( -0.226 1.522 0.119) 1.543 27.065 ( -0.020 0.631 0.483) 0.795 29.678 ( -1.309 2.465 -0.661) 2.868 29.750 ( -0.163 3.630 0.611) 3.685 29.834 ( -2.052 -3.920 -1.136) 4.568 29.923 ( 0.104 -3.832 1.332) 4.058 32.045 ( -0.270 4.477 -0.208) 4.490 32.122 ( 0.166 5.959 0.362) 5.972 32.261 ( -0.729 -4.944 -0.500) 5.022 32.376 ( -0.055 -5.079 0.345) 5.091 33.547 ( 0.029 2.281 -0.221) 2.292 33.662 ( 0.898 -0.472 0.158) 1.026 33.676 ( -0.337 1.679 -0.156) 1.719 33.838 ( 0.481 -3.542 0.317) 3.588 35.324 ( -0.045 0.039 0.050) 0.078 35.337 ( -0.308 -0.475 0.073) 0.571 35.442 ( 0.064 1.840 -0.157) 1.848 35.481 ( 0.058 0.088 -0.080) 0.133 89.093 ( 0.917 -0.149 -0.612) 1.113 89.127 ( 0.798 -1.585 -0.547) 1.857 89.448 ( 1.168 2.577 -0.162) 2.834 89.613 ( 1.435 -4.484 0.494) 4.734 92.269 ( -0.074 3.246 -0.336) 3.264 92.385 ( 0.145 -1.960 0.097) 1.968 92.599 ( 0.664 1.507 0.616) 1.758 92.682 ( -0.596 -2.298 1.434) 2.774 97.873 ( -0.786 0.320 -0.189) 0.870 97.881 ( -1.305 0.002 -1.585) 2.053 97.988 ( 0.454 5.215 0.570) 5.266 98.278 ( 0.461 -7.660 1.259) 7.776 103.691 ( -0.176 0.173 -0.157) 0.293 103.709 ( 0.094 -0.607 0.173) 0.638 103.823 ( -0.227 1.755 -0.208) 1.782 103.850 ( -0.229 0.648 -0.101) 0.695 ======================= Grid point 27 (16/112) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 -14.907 0.000) 14.907 1.074 ( 0.000 14.907 0.000) 14.907 1.412 ( 0.000 -18.055 0.000) 18.055 1.412 ( 0.000 18.055 0.000) 18.055 1.743 ( 0.000 -19.673 0.000) 19.673 1.743 ( 0.000 19.673 0.000) 19.673 2.039 ( 0.000 -3.119 0.000) 3.119 2.039 ( 0.000 3.119 0.000) 3.119 2.112 ( 0.000 -1.337 0.000) 1.337 2.112 ( 0.000 1.337 0.000) 1.337 2.480 ( 0.000 -3.242 0.000) 3.242 2.480 ( 0.000 3.242 0.000) 3.242 2.633 ( 0.000 -9.722 0.000) 9.722 2.633 ( 0.000 9.722 0.000) 9.722 2.775 ( 0.000 -0.876 0.000) 0.876 2.775 ( 0.000 0.876 0.000) 0.876 2.938 ( 0.000 -3.622 0.000) 3.622 2.938 ( 0.000 3.622 0.000) 3.622 3.050 ( 0.000 -5.025 0.000) 5.025 3.050 ( 0.000 5.025 0.000) 5.025 3.278 ( 0.000 -9.445 0.000) 9.445 3.278 ( 0.000 9.445 0.000) 9.445 3.603 ( 0.000 -0.999 0.000) 0.999 3.603 ( 0.000 0.999 0.000) 0.999 4.368 ( 0.000 -4.962 0.000) 4.962 4.368 ( 0.000 4.962 0.000) 4.962 4.513 ( 0.000 -2.788 0.000) 2.788 4.513 ( 0.000 2.788 0.000) 2.788 4.690 ( 0.000 -0.028 0.000) 0.028 4.690 ( 0.000 0.028 0.000) 0.028 4.898 ( 0.000 -2.308 0.000) 2.308 4.898 ( 0.000 2.308 0.000) 2.308 5.029 ( 0.000 -0.779 0.000) 0.779 5.029 ( 0.000 0.779 0.000) 0.779 5.322 ( 0.000 -2.184 0.000) 2.184 5.322 ( 0.000 2.184 0.000) 2.184 5.510 ( 0.000 -0.422 0.000) 0.422 5.510 ( 0.000 0.422 0.000) 0.422 5.665 ( 0.000 -1.449 0.000) 1.449 5.665 ( 0.000 1.449 0.000) 1.449 5.900 ( 0.000 -0.341 0.000) 0.341 5.900 ( 0.000 0.341 0.000) 0.341 6.115 ( 0.000 -3.393 0.000) 3.393 6.115 ( 0.000 3.393 0.000) 3.393 6.319 ( 0.000 -4.423 0.000) 4.423 6.319 ( 0.000 4.423 0.000) 4.423 6.437 ( 0.000 -4.955 0.000) 4.955 6.437 ( 0.000 4.955 0.000) 4.955 6.925 ( 0.000 -1.072 0.000) 1.072 6.925 ( 0.000 1.072 0.000) 1.072 7.244 ( 0.000 -4.943 0.000) 4.943 7.244 ( 0.000 4.943 0.000) 4.943 7.345 ( 0.000 -2.532 0.000) 2.532 7.345 ( 0.000 2.532 0.000) 2.532 7.767 ( 0.000 -4.780 0.000) 4.780 7.767 ( 0.000 4.780 0.000) 4.780 8.091 ( 0.000 -2.525 0.000) 2.525 8.091 ( 0.000 2.525 0.000) 2.525 8.815 ( 0.000 -7.490 0.000) 7.490 8.815 ( 0.000 7.490 0.000) 7.490 8.992 ( 0.000 -12.019 0.000) 12.019 8.992 ( 0.000 12.019 0.000) 12.019 9.322 ( 0.000 -5.884 0.000) 5.884 9.322 ( 0.000 5.884 0.000) 5.884 10.034 ( 0.000 -0.227 0.000) 0.227 10.034 ( 0.000 0.227 0.000) 0.227 10.262 ( 0.000 -0.874 0.000) 0.874 10.262 ( 0.000 0.874 0.000) 0.874 10.513 ( 0.000 -5.402 0.000) 5.402 10.513 ( 0.000 5.402 0.000) 5.402 10.905 ( 0.000 -3.041 0.000) 3.041 10.905 ( 0.000 3.041 0.000) 3.041 21.389 ( 0.000 -3.317 0.000) 3.317 21.389 ( 0.000 3.317 0.000) 3.317 21.580 ( 0.000 -1.849 0.000) 1.849 21.580 ( 0.000 1.849 0.000) 1.849 22.757 ( 0.000 -0.023 0.000) 0.023 22.757 ( 0.000 0.023 0.000) 0.023 22.885 ( 0.000 -0.630 0.000) 0.630 22.885 ( 0.000 0.630 0.000) 0.630 23.627 ( 0.000 -3.620 0.000) 3.620 23.627 ( 0.000 3.620 0.000) 3.620 23.848 ( 0.000 -3.931 0.000) 3.931 23.848 ( 0.000 3.931 0.000) 3.931 26.773 ( 0.000 -1.204 0.000) 1.204 26.773 ( 0.000 1.204 0.000) 1.204 27.100 ( 0.000 -0.895 0.000) 0.895 27.100 ( 0.000 0.895 0.000) 0.895 29.607 ( 0.000 -3.546 0.000) 3.546 29.607 ( 0.000 3.546 0.000) 3.546 30.137 ( 0.000 -7.127 0.000) 7.127 30.137 ( 0.000 7.127 0.000) 7.127 32.181 ( 0.000 -5.892 0.000) 5.892 32.181 ( 0.000 5.892 0.000) 5.892 32.266 ( 0.000 -6.755 0.000) 6.755 32.266 ( 0.000 6.755 0.000) 6.755 33.621 ( 0.000 -2.929 0.000) 2.929 33.621 ( 0.000 2.929 0.000) 2.929 33.678 ( 0.000 -2.237 0.000) 2.237 33.678 ( 0.000 2.237 0.000) 2.237 35.380 ( 0.000 -2.578 0.000) 2.578 35.380 ( 0.000 2.578 0.000) 2.578 35.481 ( 0.000 -1.197 0.000) 1.197 35.481 ( 0.000 1.197 0.000) 1.197 89.016 ( 0.000 -0.855 0.000) 0.855 89.016 ( 0.000 0.855 0.000) 0.855 89.336 ( 0.000 -1.049 0.000) 1.049 89.336 ( 0.000 1.049 0.000) 1.049 92.371 ( 0.000 -2.030 0.000) 2.030 92.371 ( 0.000 2.030 0.000) 2.030 92.592 ( 0.000 -0.255 0.000) 0.255 92.592 ( 0.000 0.255 0.000) 0.255 97.849 ( 0.000 -1.114 0.000) 1.114 97.849 ( 0.000 1.114 0.000) 1.114 98.120 ( 0.000 -4.938 0.000) 4.938 98.120 ( 0.000 4.938 0.000) 4.938 103.712 ( 0.000 -1.025 0.000) 1.025 103.712 ( 0.000 1.025 0.000) 1.025 103.922 ( 0.000 -2.108 0.000) 2.108 103.922 ( 0.000 2.108 0.000) 2.108 ======================= Grid point 29 (17/112) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 2.272 -13.939 4.004) 14.680 1.121 ( 2.272 13.939 4.004) 14.680 1.448 ( 3.634 -17.108 1.189) 17.530 1.448 ( 3.634 17.108 1.189) 17.530 1.732 ( -0.395 -15.673 -1.305) 15.732 1.732 ( -0.395 15.673 -1.305) 15.732 2.044 ( 0.739 -2.007 -0.743) 2.264 2.044 ( 0.739 2.007 -0.743) 2.264 2.146 ( 2.200 -4.458 3.805) 6.260 2.146 ( 2.200 4.458 3.805) 6.260 2.424 ( -3.859 -4.262 -3.796) 6.890 2.424 ( -3.859 4.262 -3.796) 6.890 2.631 ( -4.142 -8.686 4.571) 10.654 2.631 ( -4.142 8.686 4.571) 10.654 2.730 ( -3.998 -2.203 -1.924) 4.954 2.730 ( -3.998 2.203 -1.924) 4.954 2.911 ( -4.412 -4.050 4.144) 7.283 2.911 ( -4.412 4.050 4.144) 7.283 3.032 ( -0.267 -5.813 -2.490) 6.330 3.032 ( -0.267 5.813 -2.490) 6.330 3.318 ( 3.989 -7.405 -0.947) 8.464 3.318 ( 3.989 7.405 -0.947) 8.464 3.628 ( 3.328 -0.596 -1.024) 3.533 3.628 ( 3.328 0.596 -1.024) 3.533 4.374 ( -0.643 -4.044 1.455) 4.345 4.374 ( -0.643 4.044 1.455) 4.345 4.528 ( 0.748 -2.577 2.741) 3.836 4.528 ( 0.748 2.577 2.741) 3.836 4.687 ( -1.336 -0.813 0.642) 1.691 4.687 ( -1.336 0.813 0.642) 1.691 4.859 ( -2.264 -1.767 -3.307) 4.380 4.859 ( -2.264 1.767 -3.307) 4.380 5.024 ( -1.500 -0.183 1.761) 2.321 5.024 ( -1.500 0.183 1.761) 2.321 5.265 ( -3.242 -0.746 -0.807) 3.423 5.265 ( -3.242 0.746 -0.807) 3.423 5.577 ( 1.636 -4.887 -2.867) 5.897 5.577 ( 1.636 4.887 -2.867) 5.897 5.655 ( 2.984 -0.766 0.297) 3.095 5.655 ( 2.984 0.766 0.297) 3.095 5.901 ( -1.648 -1.302 3.058) 3.710 5.901 ( -1.648 1.302 3.058) 3.710 6.172 ( 2.972 -2.492 4.068) 5.621 6.172 ( 2.972 2.492 4.068) 5.621 6.273 ( -4.864 -4.255 0.704) 6.501 6.273 ( -4.864 4.255 0.704) 6.501 6.462 ( 4.994 -6.622 -3.836) 9.138 6.462 ( 4.994 6.622 -3.836) 9.138 6.846 ( -4.374 -0.606 -7.172) 8.423 6.846 ( -4.374 0.606 -7.172) 8.423 7.152 ( -1.875 -7.591 -6.329) 10.060 7.152 ( -1.875 7.591 -6.329) 10.060 7.376 ( -1.413 -2.939 2.129) 3.894 7.376 ( -1.413 2.939 2.129) 3.894 7.763 ( 2.834 -6.444 -1.685) 7.238 7.763 ( 2.834 6.444 -1.685) 7.238 8.197 ( 3.905 -3.941 8.740) 10.352 8.197 ( 3.905 3.941 8.740) 10.352 8.801 ( 0.646 -6.822 -5.157) 8.576 8.801 ( 0.646 6.822 -5.157) 8.576 8.939 ( -3.270 -8.525 -2.036) 9.355 8.939 ( -3.270 8.525 -2.036) 9.355 9.358 ( 3.588 -3.907 0.489) 5.327 9.358 ( 3.588 3.907 0.489) 5.327 10.016 ( -1.089 -1.033 -1.050) 1.832 10.016 ( -1.089 1.033 -1.050) 1.832 10.267 ( 0.737 -0.455 0.027) 0.867 10.267 ( 0.737 0.455 0.027) 0.867 10.566 ( 4.415 -5.025 2.153) 7.027 10.566 ( 4.415 5.025 2.153) 7.027 10.884 ( -5.064 -2.381 4.260) 7.033 10.884 ( -5.064 2.381 4.260) 7.033 21.388 ( -0.322 -3.182 0.246) 3.208 21.388 ( -0.322 3.182 0.246) 3.208 21.583 ( 0.031 -1.791 0.526) 1.866 21.583 ( 0.031 1.791 0.526) 1.866 22.749 ( -0.907 -0.212 0.053) 0.932 22.749 ( -0.907 0.212 0.053) 0.932 22.883 ( -0.191 -0.958 -0.208) 0.999 22.883 ( -0.191 0.958 -0.208) 0.999 23.632 ( 0.884 -3.825 -0.543) 3.963 23.632 ( 0.884 3.825 -0.543) 3.963 23.851 ( 0.276 -4.361 0.128) 4.372 23.851 ( 0.276 4.361 0.128) 4.372 26.772 ( -0.428 -1.350 0.367) 1.463 26.772 ( -0.428 1.350 0.367) 1.463 27.089 ( -0.866 -0.759 -0.455) 1.239 27.089 ( -0.866 0.759 -0.455) 1.239 29.638 ( 1.393 -3.200 3.237) 4.760 29.638 ( 1.393 3.200 3.237) 4.760 30.092 ( -3.824 -6.589 -2.313) 7.961 30.092 ( -3.824 6.589 -2.313) 7.961 32.191 ( 0.526 -6.027 0.917) 6.119 32.191 ( 0.526 6.027 0.917) 6.119 32.253 ( -1.075 -6.726 -0.562) 6.834 32.253 ( -1.075 6.726 -0.562) 6.834 33.614 ( -0.098 -2.255 -0.821) 2.402 33.614 ( -0.098 2.255 -0.821) 2.402 33.691 ( 0.910 -2.194 0.707) 2.478 33.691 ( 0.910 2.194 0.707) 2.478 35.371 ( -1.102 -2.126 0.167) 2.401 35.371 ( -1.102 2.126 0.167) 2.401 35.478 ( 0.202 -0.647 -0.762) 1.020 35.478 ( 0.202 0.647 -0.762) 1.020 89.029 ( 2.117 -0.506 -0.960) 2.379 89.029 ( 2.117 0.506 -0.960) 2.379 89.359 ( 2.688 -1.644 0.124) 3.154 89.359 ( 2.688 1.644 0.124) 3.154 92.364 ( -0.213 -2.048 -0.869) 2.235 92.364 ( -0.213 2.048 -0.869) 2.235 92.591 ( -0.791 -0.571 1.301) 1.627 92.591 ( -0.791 0.571 1.301) 1.627 97.887 ( 2.183 -2.202 2.997) 4.312 97.887 ( 2.183 2.202 2.997) 4.312 98.097 ( -1.781 -4.334 -1.407) 4.893 98.097 ( -1.781 4.334 -1.407) 4.893 103.710 ( -0.182 -0.870 -0.005) 0.889 103.710 ( -0.182 0.870 -0.005) 0.889 103.909 ( -1.023 -1.678 -0.701) 2.087 103.909 ( -1.023 1.678 -0.701) 2.087 ======================= Grid point 31 (18/112) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -1.014 -12.934 5.556) 14.113 1.191 ( -1.014 12.934 5.556) 14.113 1.522 ( 4.873 -12.647 -3.870) 14.094 1.522 ( 4.873 12.647 -3.870) 14.094 1.729 ( 2.162 -4.768 1.565) 5.464 1.729 ( 2.162 4.768 1.565) 5.464 2.046 ( 2.168 -0.558 -3.024) 3.762 2.046 ( 2.168 0.558 -3.024) 3.762 2.225 ( -3.303 -3.038 4.382) 6.272 2.225 ( -3.303 3.038 4.382) 6.272 2.335 ( 0.256 -3.445 0.529) 3.495 2.335 ( 0.256 3.445 0.529) 3.495 2.563 ( -9.974 -1.680 4.973) 11.271 2.563 ( -9.974 1.680 4.973) 11.271 2.664 ( -1.941 -4.202 0.025) 4.629 2.664 ( -1.941 4.202 0.025) 4.629 2.893 ( -4.289 -1.714 4.134) 6.198 2.893 ( -4.289 1.714 4.134) 6.198 3.008 ( 1.686 -3.317 -2.850) 4.687 3.008 ( 1.686 3.317 -2.850) 4.687 3.355 ( 3.079 -5.655 -2.771) 7.009 3.355 ( 3.079 5.655 -2.771) 7.009 3.667 ( 3.408 -1.454 -2.630) 4.544 3.667 ( 3.408 1.454 -2.630) 4.544 4.371 ( -1.597 -3.907 1.267) 4.407 4.371 ( -1.597 3.907 1.267) 4.407 4.594 ( 0.540 -3.927 4.914) 6.314 4.594 ( 0.540 3.927 4.914) 6.314 4.653 ( -2.573 -1.912 0.096) 3.207 4.653 ( -2.573 1.912 0.096) 3.207 4.784 ( -1.501 -1.531 -3.411) 4.029 4.784 ( -1.501 1.531 -3.411) 4.029 5.011 ( -3.147 -2.481 2.464) 4.705 5.011 ( -3.147 2.481 2.464) 4.705 5.231 ( -0.749 -0.398 -0.006) 0.848 5.231 ( -0.749 0.398 -0.006) 0.848 5.521 ( -0.098 -5.959 -5.080) 7.831 5.521 ( -0.098 5.959 -5.080) 7.831 5.692 ( 0.590 -1.973 -1.975) 2.854 5.692 ( 0.590 1.973 -1.975) 2.854 5.888 ( -3.311 -4.655 -1.371) 5.874 5.888 ( -3.311 4.655 -1.371) 5.874 6.221 ( -5.267 -1.727 7.488) 9.317 6.221 ( -5.267 1.727 7.488) 9.317 6.248 ( -1.594 -3.930 3.960) 5.803 6.248 ( -1.594 3.930 3.960) 5.803 6.498 ( 5.568 -8.625 -5.036) 11.435 6.498 ( 5.568 8.625 -5.036) 11.435 6.723 ( 2.636 -1.455 -7.205) 7.809 6.723 ( 2.636 1.455 -7.205) 7.809 7.098 ( 1.620 -6.683 -4.253) 8.086 7.098 ( 1.620 6.683 -4.253) 8.086 7.334 ( -3.321 -4.433 -1.196) 5.666 7.334 ( -3.321 4.433 -1.196) 5.666 7.837 ( 5.917 -8.612 0.826) 10.482 7.837 ( 5.917 8.612 0.826) 10.482 8.325 ( -0.016 -4.182 7.847) 8.891 8.325 ( -0.016 4.182 7.847) 8.891 8.684 ( -4.121 -7.820 -9.777) 13.180 8.684 ( -4.121 7.820 -9.777) 13.180 8.909 ( 1.078 -3.161 -1.195) 3.547 8.909 ( 1.078 3.161 -1.195) 3.547 9.430 ( 4.309 -2.716 0.488) 5.117 9.430 ( 4.309 2.716 0.488) 5.117 9.993 ( -0.302 -1.308 -0.526) 1.442 9.993 ( -0.302 1.308 -0.526) 1.442 10.286 ( 1.287 -0.888 0.315) 1.595 10.286 ( 1.287 0.888 0.315) 1.595 10.655 ( 3.571 -1.374 -0.395) 3.847 10.655 ( 3.571 1.374 -0.395) 3.847 10.863 ( -5.175 -3.563 9.310) 11.232 10.863 ( -5.175 3.563 9.310) 11.232 21.384 ( -0.509 -2.936 0.278) 2.992 21.384 ( -0.509 2.936 0.278) 2.992 21.592 ( 0.084 -1.600 0.841) 1.809 21.592 ( 0.084 1.600 0.841) 1.809 22.734 ( -1.042 -0.704 0.102) 1.262 22.734 ( -1.042 0.704 0.102) 1.262 22.874 ( -0.466 -0.960 -0.294) 1.107 22.874 ( -0.466 0.960 -0.294) 1.107 23.643 ( 1.338 -4.041 -0.793) 4.330 23.643 ( 1.338 4.041 -0.793) 4.330 23.860 ( 0.546 -5.267 0.261) 5.302 23.860 ( 0.546 5.267 0.261) 5.302 26.765 ( -0.980 -1.678 0.237) 1.958 26.765 ( -0.980 1.678 0.237) 1.958 27.070 ( -0.949 -0.570 -0.149) 1.117 27.070 ( -0.949 0.570 -0.149) 1.117 29.706 ( 1.547 -3.003 4.263) 5.439 29.706 ( 1.547 3.003 4.263) 5.439 29.981 ( -5.677 -5.322 -3.338) 8.467 29.981 ( -5.677 5.322 -3.338) 8.467 32.201 ( -0.679 -6.118 -0.207) 6.159 32.201 ( -0.679 6.118 -0.207) 6.159 32.233 ( -0.391 -6.543 0.533) 6.577 32.233 ( -0.391 6.543 0.533) 6.577 33.606 ( 0.245 -2.188 -0.848) 2.359 33.606 ( 0.245 2.188 -0.848) 2.359 33.716 ( 1.123 -2.969 0.805) 3.275 33.716 ( 1.123 2.969 0.805) 3.275 35.353 ( -1.285 -1.251 0.142) 1.799 35.353 ( -1.285 1.251 0.142) 1.799 35.474 ( 0.316 -0.527 -0.747) 0.967 35.474 ( 0.316 0.527 -0.747) 0.967 89.057 ( 2.800 -0.543 -1.373) 3.165 89.057 ( 2.800 0.543 -1.373) 3.165 89.416 ( 3.954 -2.649 0.188) 4.763 89.416 ( 3.954 2.649 0.188) 4.763 92.349 ( -0.237 -2.168 -0.985) 2.393 92.349 ( -0.237 2.168 -0.985) 2.393 92.599 ( -0.566 -1.744 2.275) 2.922 92.599 ( -0.566 1.744 2.275) 2.922 97.951 ( 0.773 -2.086 1.910) 2.932 97.951 ( 0.773 2.086 1.910) 2.932 98.053 ( -1.006 -3.503 -0.425) 3.670 98.053 ( -1.006 3.503 -0.425) 3.670 103.706 ( -0.287 -0.452 -0.033) 0.537 103.706 ( -0.287 0.452 -0.033) 0.537 103.882 ( -1.143 -1.033 -0.756) 1.716 103.882 ( -1.143 1.033 -0.756) 1.716 ======================= Grid point 33 (19/112) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -5.613 -10.610 3.063) 12.388 1.186 ( -5.613 10.610 3.063) 12.388 1.500 ( 2.158 -9.601 -7.257) 12.227 1.500 ( 2.158 9.601 -7.257) 12.227 1.848 ( 7.034 -8.450 2.832) 11.354 1.848 ( 7.034 8.450 2.832) 11.354 2.035 ( -1.029 -1.921 -1.656) 2.737 2.035 ( -1.029 1.921 -1.656) 2.737 2.170 ( -3.022 -4.838 3.144) 6.513 2.170 ( -3.022 4.838 3.144) 6.513 2.349 ( -3.471 -1.156 -1.483) 3.947 2.349 ( -3.471 1.156 -1.483) 3.947 2.529 ( -2.774 -1.898 7.650) 8.356 2.529 ( -2.774 1.898 7.650) 8.356 2.646 ( -1.922 -3.290 2.530) 4.574 2.646 ( -1.922 3.290 2.530) 4.574 2.875 ( -0.882 -4.552 2.562) 5.298 2.875 ( -0.882 4.552 2.562) 5.298 3.025 ( 2.533 -1.540 -1.096) 3.161 3.025 ( 2.533 1.540 -1.096) 3.161 3.358 ( 1.482 -5.795 -3.534) 6.948 3.358 ( 1.482 5.795 -3.534) 6.948 3.671 ( 1.430 -2.751 -3.713) 4.838 3.671 ( 1.430 2.751 -3.713) 4.838 4.353 ( -1.632 -4.458 0.691) 4.798 4.353 ( -1.632 4.458 0.691) 4.798 4.565 ( -4.063 -2.914 -0.911) 5.082 4.565 ( -4.063 2.914 -0.911) 5.082 4.640 ( -2.922 -2.114 1.414) 3.874 4.640 ( -2.922 2.114 1.414) 3.874 4.779 ( 2.502 -5.591 0.704) 6.166 4.779 ( 2.502 5.591 0.704) 6.166 4.998 ( -1.314 -4.098 3.450) 5.516 4.998 ( -1.314 4.098 3.450) 5.516 5.217 ( -0.146 -1.745 -1.884) 2.572 5.217 ( -0.146 1.745 -1.884) 2.572 5.462 ( -2.622 -3.401 -4.043) 5.898 5.462 ( -2.622 3.401 -4.043) 5.898 5.673 ( 0.986 -0.544 -1.415) 1.809 5.673 ( 0.986 0.544 -1.415) 1.809 5.783 ( -4.032 -3.848 -3.750) 6.718 5.783 ( -4.032 3.848 -3.750) 6.718 6.110 ( -9.409 -3.873 -0.480) 10.186 6.110 ( -9.409 3.873 -0.480) 10.186 6.334 ( 1.468 -3.051 7.806) 8.509 6.334 ( 1.468 3.051 7.806) 8.509 6.541 ( 3.607 -4.256 -1.418) 5.756 6.541 ( 3.607 4.256 -1.418) 5.756 6.788 ( 9.221 -3.332 -2.021) 10.011 6.788 ( 9.221 3.332 -2.021) 10.011 7.089 ( 1.589 -3.778 -3.005) 5.082 7.089 ( 1.589 3.778 -3.005) 5.082 7.280 ( -1.044 -3.351 -1.023) 3.656 7.280 ( -1.044 3.351 -1.023) 3.656 7.926 ( 2.547 -8.934 1.048) 9.349 7.926 ( 2.547 8.934 1.048) 9.349 8.365 ( -2.731 -3.738 4.539) 6.483 8.365 ( -2.731 3.738 4.539) 6.483 8.521 ( -1.964 -6.839 -9.158) 11.597 8.521 ( -1.964 6.839 -9.158) 11.597 8.912 ( 0.476 -5.336 -1.040) 5.457 8.912 ( 0.476 5.336 -1.040) 5.457 9.496 ( 3.099 -3.585 0.332) 4.750 9.496 ( 3.099 3.585 0.332) 4.750 9.998 ( 0.866 -2.211 0.330) 2.398 9.998 ( 0.866 2.211 0.330) 2.398 10.311 ( 1.572 -1.438 -0.091) 2.133 10.311 ( 1.572 1.438 -0.091) 2.133 10.649 ( -2.710 -4.270 -0.035) 5.058 10.649 ( -2.710 4.270 -0.035) 5.058 10.931 ( 0.546 -7.853 7.770) 11.061 10.931 ( 0.546 7.853 7.770) 11.061 21.379 ( -0.462 -2.800 0.168) 2.843 21.379 ( -0.462 2.800 0.168) 2.843 21.603 ( 0.112 -1.295 0.774) 1.513 21.603 ( 0.112 1.295 0.774) 1.513 22.720 ( -0.758 -1.385 0.055) 1.580 22.720 ( -0.758 1.385 0.055) 1.580 22.864 ( -0.448 -0.583 -0.199) 0.762 22.864 ( -0.448 0.583 -0.199) 0.762 23.655 ( 1.111 -3.935 -0.719) 4.151 23.655 ( 1.111 3.935 -0.719) 4.151 23.873 ( 0.618 -6.136 0.323) 6.176 23.873 ( 0.618 6.136 0.323) 6.176 26.747 ( -1.222 -1.836 -0.178) 2.213 26.747 ( -1.222 1.836 -0.178) 2.213 27.060 ( -0.447 -0.625 0.435) 0.883 27.060 ( -0.447 0.625 0.435) 0.883 29.762 ( 0.389 -3.279 2.157) 3.944 29.762 ( 0.389 3.279 2.157) 3.944 29.865 ( -4.283 -3.747 -1.695) 5.938 29.865 ( -4.283 3.747 -1.695) 5.938 32.173 ( -1.298 -5.742 -0.884) 5.953 32.173 ( -1.298 5.742 -0.884) 5.953 32.245 ( 0.163 -6.400 0.974) 6.475 32.245 ( 0.163 6.400 0.974) 6.475 33.604 ( 0.374 -2.653 -0.567) 2.739 33.604 ( 0.374 2.653 -0.567) 2.739 33.741 ( 0.921 -3.706 0.637) 3.872 33.741 ( 0.921 3.706 0.637) 3.872 35.336 ( -0.822 -0.613 0.084) 1.029 35.336 ( -0.822 0.613 0.084) 1.029 35.472 ( 0.247 -0.860 -0.399) 0.980 35.472 ( 0.247 0.860 -0.399) 0.980 89.084 ( 2.164 -0.814 -1.135) 2.576 89.084 ( 2.164 0.814 -1.135) 2.576 89.479 ( 3.338 -3.564 0.204) 4.887 89.479 ( 3.338 3.564 0.204) 4.887 92.339 ( -0.052 -2.496 -0.555) 2.558 92.339 ( -0.052 2.496 -0.555) 2.558 92.619 ( -0.137 -2.192 2.163) 3.083 92.619 ( -0.137 2.192 2.163) 3.083 97.924 ( -2.314 -1.090 -1.795) 3.124 97.924 ( -2.314 1.090 -1.795) 3.124 98.082 ( 1.519 -6.543 2.388) 7.129 98.082 ( 1.519 6.543 2.388) 7.129 103.701 ( -0.251 -0.141 -0.050) 0.292 103.701 ( -0.251 0.141 -0.050) 0.292 103.860 ( -0.721 -0.751 -0.438) 1.130 103.860 ( -0.721 0.751 -0.438) 1.130 ======================= Grid point 35 (20/112) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -3.595 -8.482 -0.129) 9.213 1.112 ( -3.595 8.482 -0.129) 9.213 1.474 ( 1.201 -7.127 -2.651) 7.699 1.474 ( 1.201 7.127 -2.651) 7.699 1.943 ( 0.574 -3.962 2.289) 4.612 1.943 ( 0.574 3.962 2.289) 4.612 2.003 ( 0.409 -2.434 -1.638) 2.962 2.003 ( 0.409 2.434 -1.638) 2.962 2.210 ( 1.128 -6.042 4.190) 7.439 2.210 ( 1.128 6.042 4.190) 7.439 2.273 ( -1.119 -1.122 -3.403) 3.754 2.273 ( -1.119 1.122 -3.403) 3.754 2.517 ( -3.357 -2.509 1.289) 4.385 2.517 ( -3.357 2.509 1.289) 4.385 2.659 ( -0.903 -0.902 2.449) 2.761 2.659 ( -0.903 0.902 2.449) 2.761 2.927 ( 1.620 -5.021 2.667) 5.911 2.927 ( 1.620 5.021 2.667) 5.911 3.057 ( 2.159 -1.911 -0.251) 2.894 3.057 ( 2.159 1.911 -0.251) 2.894 3.329 ( -0.455 -5.186 -2.408) 5.736 3.329 ( -0.455 5.186 -2.408) 5.736 3.647 ( 0.089 -3.491 -1.936) 3.993 3.647 ( 0.089 3.491 -1.936) 3.993 4.344 ( -0.303 -4.018 0.554) 4.068 4.344 ( -0.303 4.018 0.554) 4.068 4.495 ( -2.323 -2.912 -1.150) 3.898 4.495 ( -2.323 2.912 -1.150) 3.898 4.609 ( -1.376 -0.988 0.325) 1.724 4.609 ( -1.376 0.988 0.325) 1.724 4.817 ( 0.585 -5.789 0.903) 5.888 4.817 ( 0.585 5.789 0.903) 5.888 5.045 ( 1.331 -4.594 2.937) 5.613 5.045 ( 1.331 4.594 2.937) 5.613 5.191 ( 0.239 -1.986 -2.452) 3.165 5.191 ( 0.239 1.986 -2.452) 3.165 5.363 ( -3.552 -0.160 -1.901) 4.032 5.363 ( -3.552 0.160 -1.901) 4.032 5.688 ( 1.380 -1.881 -1.719) 2.898 5.688 ( 1.380 1.881 -1.719) 2.898 5.715 ( -1.450 -2.319 0.145) 2.739 5.715 ( -1.450 2.319 0.145) 2.739 5.989 ( -3.692 -2.272 -0.777) 4.404 5.989 ( -3.692 2.272 -0.777) 4.404 6.413 ( 0.734 -4.960 2.770) 5.728 6.413 ( 0.734 4.960 2.770) 5.728 6.570 ( 0.876 -2.016 0.061) 2.199 6.570 ( 0.876 2.016 0.061) 2.199 6.909 ( 5.534 -4.957 -0.074) 7.430 6.909 ( 5.534 4.957 -0.074) 7.430 7.072 ( -0.747 -1.754 -1.047) 2.176 7.072 ( -0.747 1.754 -1.047) 2.176 7.280 ( 0.844 -0.773 0.111) 1.150 7.280 ( 0.844 0.773 0.111) 1.150 7.927 ( -1.230 -5.954 -0.634) 6.113 7.927 ( -1.230 5.954 -0.634) 6.113 8.373 ( -0.847 -4.068 3.359) 5.343 8.373 ( -0.847 4.068 3.359) 5.343 8.435 ( 0.206 -4.433 -5.142) 6.792 8.435 ( 0.206 4.433 -5.142) 6.792 8.904 ( -0.223 -8.312 -0.405) 8.325 8.904 ( -0.223 8.312 -0.405) 8.325 9.531 ( 1.063 -4.652 0.085) 4.773 9.531 ( 1.063 4.652 0.085) 4.773 10.016 ( 0.619 -4.026 0.309) 4.085 10.016 ( 0.619 4.026 0.309) 4.085 10.330 ( 0.897 -0.627 -0.257) 1.124 10.330 ( 0.897 0.627 -0.257) 1.124 10.607 ( -2.045 -6.463 0.449) 6.793 10.607 ( -2.045 6.463 0.449) 6.793 11.004 ( 0.811 -8.914 2.710) 9.352 11.004 ( 0.811 8.914 2.710) 9.352 21.374 ( -0.186 -2.785 0.050) 2.792 21.374 ( -0.186 2.785 0.050) 2.792 21.610 ( 0.054 -1.017 0.315) 1.066 21.610 ( 0.054 1.017 0.315) 1.066 22.712 ( -0.285 -1.869 0.003) 1.890 22.712 ( -0.285 1.869 0.003) 1.890 22.857 ( -0.168 -0.189 -0.057) 0.259 22.857 ( -0.168 0.189 -0.057) 0.259 23.662 ( 0.415 -3.738 -0.296) 3.772 23.662 ( 0.415 3.738 -0.296) 3.772 23.884 ( 0.281 -6.648 0.154) 6.656 23.884 ( 0.281 6.648 0.154) 6.656 26.729 ( -0.570 -1.794 -0.165) 1.890 26.729 ( -0.570 1.794 -0.165) 1.890 27.061 ( -0.085 -0.869 0.307) 0.926 27.061 ( -0.085 0.869 0.307) 0.926 29.747 ( -1.276 -3.839 -0.905) 4.145 29.747 ( -1.276 3.839 -0.905) 4.145 29.836 ( -0.310 -4.203 1.016) 4.335 29.836 ( -0.310 4.203 1.016) 4.335 32.151 ( -0.523 -5.350 -0.364) 5.387 32.151 ( -0.523 5.350 -0.364) 5.387 32.254 ( 0.030 -6.305 0.353) 6.315 32.254 ( 0.030 6.305 0.353) 6.315 33.604 ( 0.168 -2.981 -0.195) 2.993 33.604 ( 0.168 2.981 -0.195) 2.993 33.757 ( 0.362 -4.066 0.247) 4.089 33.757 ( 0.362 4.066 0.247) 4.089 35.328 ( -0.264 -0.347 0.028) 0.437 35.328 ( -0.264 0.347 0.028) 0.437 35.472 ( 0.089 -0.934 -0.110) 0.944 35.472 ( 0.089 0.934 -0.110) 0.944 89.100 ( 0.797 -0.855 -0.434) 1.247 89.100 ( 0.797 0.855 -0.434) 1.247 89.520 ( 1.289 -4.113 0.096) 4.311 89.520 ( 1.289 4.113 0.096) 4.311 92.335 ( 0.022 -2.816 -0.154) 2.820 92.335 ( 0.022 2.816 -0.154) 2.820 92.635 ( 0.006 -2.039 0.891) 2.225 92.635 ( 0.006 2.039 0.891) 2.225 97.879 ( -1.033 -0.222 -0.886) 1.379 97.879 ( -1.033 0.222 -0.886) 1.379 98.119 ( 0.604 -7.156 0.970) 7.247 98.119 ( 0.604 7.156 0.970) 7.247 103.698 ( -0.096 -0.449 -0.024) 0.460 103.698 ( -0.096 0.449 -0.024) 0.460 103.850 ( -0.233 -0.707 -0.129) 0.755 103.850 ( -0.233 0.707 -0.129) 0.755 ======================= Grid point 63 (21/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -4.626 0.000 20.506) 21.022 0.442 ( -3.506 0.000 23.366) 23.627 0.792 ( -5.834 0.000 40.491) 40.909 1.720 ( -0.069 0.000 -6.284) 6.284 1.844 ( 1.726 0.000 -2.057) 2.685 1.911 ( 1.942 0.000 2.942) 3.526 2.158 ( 1.793 0.000 -9.224) 9.397 2.178 ( -0.017 0.000 0.038) 0.042 2.251 ( 0.449 0.000 -2.589) 2.628 2.267 ( 2.728 0.000 1.967) 3.363 2.315 ( -1.310 0.000 -1.264) 1.820 2.491 ( 4.688 0.000 3.475) 5.836 2.592 ( -1.863 0.000 1.513) 2.401 2.716 ( -1.267 0.000 2.144) 2.491 2.826 ( 5.172 0.000 2.538) 5.761 2.833 ( -6.872 0.000 1.098) 6.960 2.884 ( 1.505 0.000 1.392) 2.050 2.897 ( -3.708 0.000 2.150) 4.286 3.070 ( -5.439 0.000 4.019) 6.763 3.176 ( 0.617 0.000 -2.297) 2.379 3.296 ( 2.727 0.000 -0.692) 2.813 3.340 ( 2.616 0.000 -10.398) 10.722 3.565 ( -3.092 0.000 -4.408) 5.384 3.571 ( 1.573 0.000 -0.772) 1.752 4.303 ( 3.920 0.000 -0.851) 4.011 4.315 ( -1.436 0.000 -1.787) 2.292 4.636 ( -0.091 0.000 1.832) 1.835 4.695 ( -4.991 0.000 2.151) 5.435 4.701 ( -3.809 0.000 0.550) 3.848 4.906 ( 4.989 0.000 4.865) 6.968 4.938 ( -3.149 0.000 8.287) 8.866 5.096 ( -4.841 0.000 0.695) 4.891 5.163 ( -12.622 0.000 4.751) 13.487 5.199 ( -0.187 0.000 -1.128) 1.143 5.355 ( -1.791 0.000 -0.122) 1.795 5.427 ( 4.104 0.000 -3.709) 5.531 5.509 ( 1.972 0.000 -1.366) 2.399 5.552 ( -1.911 0.000 -2.190) 2.907 5.644 ( -1.173 0.000 2.079) 2.387 5.703 ( 1.807 0.000 -9.105) 9.283 5.741 ( 8.662 0.000 -2.862) 9.122 5.795 ( 0.530 0.000 -1.050) 1.176 6.082 ( -5.038 0.000 2.123) 5.467 6.111 ( 0.177 0.000 -0.205) 0.270 6.233 ( 0.895 0.000 8.782) 8.828 6.271 ( 9.096 0.000 0.093) 9.096 6.476 ( -0.218 0.000 -2.683) 2.692 6.493 ( 1.144 0.000 -1.390) 1.800 6.583 ( -5.074 0.000 3.195) 5.997 6.731 ( 2.228 0.000 -11.914) 12.121 7.031 ( -1.114 0.000 -12.555) 12.604 7.133 ( -0.493 0.000 6.694) 6.712 7.352 ( 0.388 0.000 -0.119) 0.406 7.392 ( -6.033 0.000 -10.482) 12.094 7.622 ( -2.618 0.000 12.026) 12.308 8.037 ( -1.383 0.000 -0.003) 1.383 8.161 ( 1.586 0.000 -1.826) 2.419 8.182 ( -1.147 0.000 4.359) 4.507 8.298 ( 1.707 0.000 -5.198) 5.471 8.671 ( -11.748 0.000 -6.243) 13.304 8.721 ( 7.685 0.000 0.898) 7.737 9.050 ( -6.108 0.000 7.772) 9.885 9.483 ( 4.062 0.000 -9.635) 10.456 9.685 ( 35.688 0.000 -7.809) 36.533 10.006 ( -0.192 0.000 1.559) 1.571 10.088 ( -1.634 0.000 5.642) 5.874 10.237 ( 9.209 0.000 -0.584) 9.228 10.334 ( 4.124 0.000 -2.636) 4.895 10.478 ( -4.052 0.000 2.549) 4.788 10.515 ( -17.928 0.000 1.957) 18.035 10.966 ( -20.463 0.000 6.476) 21.463 11.067 ( 0.908 0.000 5.198) 5.276 21.532 ( -1.333 0.000 0.670) 1.492 21.542 ( 1.385 0.000 0.366) 1.432 21.678 ( -11.557 0.000 -0.803) 11.585 21.681 ( 0.818 0.000 -0.700) 1.077 22.682 ( 0.685 0.000 0.540) 0.872 22.761 ( -1.881 0.000 -0.910) 2.089 22.853 ( 1.212 0.000 0.741) 1.421 22.894 ( -0.341 0.000 -0.083) 0.351 23.361 ( -0.687 0.000 1.634) 1.773 23.626 ( 2.582 0.000 -3.468) 4.324 23.836 ( -2.440 0.000 2.463) 3.467 23.980 ( 1.408 0.000 -0.727) 1.584 26.824 ( -7.174 0.000 1.008) 7.244 26.863 ( -2.585 0.000 2.773) 3.791 27.040 ( 1.805 0.000 -2.082) 2.756 27.085 ( -0.828 0.000 -1.150) 1.417 29.749 ( 11.382 0.000 -1.264) 11.452 29.803 ( -0.053 0.000 -1.242) 1.243 29.863 ( 6.416 0.000 5.013) 8.142 30.357 ( -1.265 0.000 -3.889) 4.090 31.894 ( 0.220 0.000 0.843) 0.871 31.949 ( -0.119 0.000 -0.004) 0.119 32.425 ( 0.981 0.000 1.276) 1.609 32.550 ( -1.520 0.000 -0.818) 1.726 33.539 ( -6.671 0.000 -0.329) 6.679 33.573 ( -0.185 0.000 -0.708) 0.731 33.727 ( -1.615 0.000 1.116) 1.963 33.785 ( 1.291 0.000 0.059) 1.292 35.268 ( -0.223 0.000 1.090) 1.113 35.364 ( -0.279 0.000 1.098) 1.133 35.415 ( 0.068 0.000 -1.283) 1.285 35.508 ( -5.577 0.000 -1.185) 5.701 89.055 ( -3.380 0.000 0.714) 3.455 89.240 ( -38.773 0.000 1.994) 38.824 89.281 ( 0.216 0.000 -3.459) 3.466 89.399 ( 4.064 0.000 -0.082) 4.065 92.264 ( -1.547 0.000 0.289) 1.574 92.296 ( 1.553 0.000 -0.399) 1.604 92.669 ( 1.906 0.000 2.395) 3.060 92.898 ( -29.693 0.000 -1.527) 29.732 97.811 ( 0.265 0.000 0.779) 0.823 97.905 ( -0.020 0.000 -0.801) 0.801 98.257 ( -3.152 0.000 0.739) 3.237 98.328 ( 27.809 0.000 -0.468) 27.813 103.668 ( 0.122 0.000 0.528) 0.542 103.743 ( -0.305 0.000 -0.665) 0.731 103.783 ( 0.469 0.000 0.083) 0.476 103.793 ( 0.325 0.000 -0.098) 0.340 ======================= Grid point 64 (22/112) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -3.380 0.000 18.972) 19.271 0.703 ( 4.647 0.000 20.758) 21.272 1.311 ( 14.803 0.000 29.450) 32.961 1.623 ( -0.466 0.000 -11.424) 11.433 1.824 ( 1.848 0.000 -6.082) 6.357 1.955 ( 0.540 0.000 0.982) 1.120 2.110 ( 1.281 0.000 -2.896) 3.166 2.126 ( -7.741 0.000 0.871) 7.790 2.230 ( -0.854 0.000 -1.402) 1.642 2.272 ( -0.743 0.000 2.680) 2.782 2.374 ( 3.267 0.000 2.902) 4.370 2.531 ( -4.483 0.000 2.818) 5.296 2.559 ( -4.365 0.000 4.023) 5.936 2.672 ( -3.453 0.000 -1.062) 3.612 2.807 ( -2.226 0.000 -0.047) 2.226 2.848 ( -3.551 0.000 5.013) 6.143 2.904 ( -1.134 0.000 0.744) 1.356 2.912 ( 1.513 0.000 2.344) 2.790 3.068 ( 0.414 0.000 4.152) 4.173 3.138 ( 1.167 0.000 -5.561) 5.682 3.312 ( 7.929 0.000 -11.416) 13.900 3.352 ( 4.294 0.000 -0.263) 4.302 3.462 ( -2.283 0.000 -6.439) 6.832 3.582 ( 1.065 0.000 -1.143) 1.562 4.285 ( 0.019 0.000 -1.761) 1.761 4.395 ( 7.078 0.000 0.586) 7.103 4.590 ( -4.624 0.000 0.322) 4.635 4.619 ( -5.262 0.000 0.907) 5.340 4.650 ( -5.556 0.000 3.488) 6.560 4.936 ( -13.961 0.000 10.079) 17.219 4.970 ( -3.510 0.000 1.236) 3.722 4.979 ( -3.132 0.000 8.298) 8.870 5.168 ( -0.040 0.000 -4.136) 4.136 5.258 ( 4.599 0.000 4.264) 6.272 5.330 ( -1.053 0.000 -0.899) 1.384 5.388 ( -7.712 0.000 -3.659) 8.536 5.511 ( 4.700 0.000 0.203) 4.705 5.525 ( 1.517 0.000 -1.335) 2.021 5.644 ( -8.507 0.000 -5.346) 10.047 5.657 ( 1.359 0.000 -7.340) 7.465 5.721 ( 7.189 0.000 2.299) 7.548 5.854 ( 6.304 0.000 -2.191) 6.674 5.985 ( -9.145 0.000 3.042) 9.638 6.156 ( 4.620 0.000 0.228) 4.626 6.334 ( 1.071 0.000 7.650) 7.725 6.337 ( 4.452 0.000 -3.453) 5.634 6.457 ( 1.838 0.000 -0.099) 1.840 6.490 ( 0.197 0.000 -1.264) 1.279 6.624 ( 0.656 0.000 6.035) 6.070 6.644 ( 0.670 0.000 -8.759) 8.785 6.924 ( 4.064 0.000 -13.436) 14.038 7.088 ( -7.457 0.000 -4.384) 8.650 7.264 ( 2.102 0.000 -4.018) 4.535 7.363 ( 1.241 0.000 0.108) 1.245 7.674 ( -4.159 0.000 6.250) 7.507 7.863 ( -15.082 0.000 0.129) 15.082 8.168 ( -0.559 0.000 0.250) 0.613 8.211 ( 1.457 0.000 2.045) 2.511 8.410 ( 11.659 0.000 -3.573) 12.194 8.468 ( -6.603 0.000 -4.947) 8.250 8.846 ( 5.108 0.000 2.589) 5.727 9.077 ( -0.533 0.000 6.893) 6.913 9.347 ( -8.355 0.000 -8.491) 11.912 9.904 ( -11.365 0.000 2.850) 11.717 9.953 ( 17.722 0.000 -15.328) 23.431 10.019 ( -0.511 0.000 1.890) 1.957 10.275 ( -5.911 0.000 3.167) 6.706 10.365 ( 3.155 0.000 -1.420) 3.459 10.541 ( 6.534 0.000 2.174) 6.886 10.589 ( 12.894 0.000 2.400) 13.116 10.857 ( -11.179 0.000 11.956) 16.368 11.151 ( 1.644 0.000 6.504) 6.709 21.462 ( -9.511 0.000 3.408) 10.103 21.545 ( -3.320 0.000 2.619) 4.229 21.572 ( 1.046 0.000 1.394) 1.743 21.688 ( 0.713 0.000 -0.424) 0.829 22.703 ( 0.547 0.000 1.278) 1.390 22.726 ( -1.110 0.000 -2.349) 2.599 22.882 ( -0.678 0.000 -0.445) 0.811 22.886 ( 1.381 0.000 0.501) 1.469 23.376 ( 0.216 0.000 1.818) 1.831 23.624 ( 2.002 0.000 -3.571) 4.094 23.814 ( -2.527 0.000 1.838) 3.124 24.009 ( 2.692 0.000 -0.175) 2.697 26.760 ( -3.576 0.000 2.958) 4.641 26.899 ( 0.862 0.000 3.580) 3.682 27.037 ( 0.480 0.000 -2.336) 2.385 27.045 ( -1.836 0.000 -1.435) 2.330 29.769 ( -1.902 0.000 -1.840) 2.646 29.792 ( 0.082 0.000 -1.536) 1.538 29.961 ( -0.060 0.000 5.390) 5.391 30.249 ( -5.059 0.000 -6.015) 7.859 31.914 ( 0.795 0.000 1.186) 1.428 31.947 ( -0.015 0.000 -0.195) 0.196 32.461 ( 1.025 0.000 1.979) 2.229 32.504 ( -2.566 0.000 -1.153) 2.813 33.505 ( -0.124 0.000 0.478) 0.494 33.559 ( -0.493 0.000 -0.576) 0.758 33.719 ( -0.616 0.000 0.555) 0.830 33.822 ( 2.601 0.000 0.540) 2.656 35.283 ( 0.356 0.000 1.423) 1.466 35.373 ( -0.320 0.000 1.482) 1.516 35.394 ( -0.774 0.000 -1.315) 1.526 35.460 ( -0.659 0.000 -0.100) 0.667 88.980 ( -0.963 0.000 1.598) 1.866 89.106 ( -1.202 0.000 3.507) 3.707 89.273 ( 2.754 0.000 -2.678) 3.841 89.487 ( 5.930 0.000 1.331) 6.077 92.236 ( -1.664 0.000 -0.438) 1.720 92.336 ( 3.414 0.000 0.430) 3.441 92.605 ( -13.242 0.000 6.229) 14.634 92.737 ( 1.413 0.000 4.855) 5.056 97.830 ( 0.712 0.000 1.153) 1.355 97.891 ( -0.256 0.000 -1.153) 1.181 98.176 ( -6.222 0.000 -1.495) 6.399 98.493 ( 3.396 0.000 -2.105) 3.996 103.680 ( 0.497 0.000 0.867) 1.000 103.728 ( -0.378 0.000 -0.977) 1.048 103.791 ( 0.480 0.000 -0.644) 0.804 103.797 ( 0.231 0.000 -0.031) 0.233 ======================= Grid point 65 (23/112) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 6.944 0.000 11.809) 13.699 0.997 ( 5.834 0.000 16.611) 17.605 1.469 ( -0.081 0.000 -14.730) 14.731 1.670 ( 5.820 0.000 -3.676) 6.883 1.886 ( 8.662 0.000 7.121) 11.213 1.932 ( -2.097 0.000 -4.175) 4.672 1.978 ( -10.644 0.000 1.402) 10.736 2.131 ( 0.268 0.000 3.418) 3.429 2.206 ( 0.085 0.000 1.172) 1.175 2.312 ( -2.270 0.000 7.067) 7.423 2.397 ( -1.842 0.000 0.348) 1.875 2.448 ( -9.555 0.000 4.788) 10.687 2.594 ( -1.279 0.000 9.020) 9.110 2.614 ( -0.816 0.000 -1.932) 2.097 2.753 ( -5.107 0.000 2.604) 5.732 2.798 ( -5.638 0.000 0.161) 5.640 2.883 ( -0.611 0.000 0.908) 1.094 2.984 ( 4.536 0.000 -0.660) 4.584 3.104 ( 6.176 0.000 -12.838) 14.246 3.154 ( 1.905 0.000 7.642) 7.876 3.312 ( 1.945 0.000 -7.259) 7.515 3.387 ( 4.207 0.000 -5.776) 7.146 3.412 ( 3.508 0.000 -0.703) 3.578 3.582 ( 1.160 0.000 -2.022) 2.331 4.268 ( -0.165 0.000 -1.856) 1.863 4.474 ( 2.993 0.000 -3.164) 4.355 4.562 ( -2.736 0.000 0.803) 2.851 4.577 ( -7.539 0.000 5.118) 9.112 4.596 ( 0.388 0.000 6.475) 6.486 4.829 ( -12.812 0.000 9.269) 15.813 4.877 ( -5.641 0.000 -1.025) 5.734 5.011 ( -1.806 0.000 4.233) 4.602 5.056 ( -4.005 0.000 -8.742) 9.616 5.260 ( -2.201 0.000 -4.247) 4.784 5.307 ( -5.258 0.000 3.388) 6.255 5.325 ( -5.873 0.000 -0.332) 5.882 5.428 ( -2.523 0.000 -3.073) 3.976 5.545 ( 0.557 0.000 -0.631) 0.841 5.547 ( 0.326 0.000 -5.621) 5.630 5.575 ( -4.418 0.000 -1.188) 4.575 5.863 ( 6.148 0.000 -0.815) 6.202 5.939 ( 5.655 0.000 -0.443) 5.672 5.944 ( 1.978 0.000 6.030) 6.346 6.198 ( 2.259 0.000 -3.646) 4.289 6.408 ( 6.515 0.000 0.112) 6.516 6.428 ( -1.166 0.000 5.871) 5.985 6.477 ( 0.164 0.000 0.496) 0.522 6.552 ( 7.770 0.000 3.165) 8.390 6.553 ( -3.677 0.000 -2.931) 4.702 6.704 ( -0.289 0.000 5.766) 5.773 6.880 ( 6.570 0.000 -7.844) 10.232 6.944 ( -0.193 0.000 -7.371) 7.374 7.278 ( 1.000 0.000 -0.023) 1.000 7.387 ( 2.030 0.000 -1.030) 2.277 7.640 ( -12.257 0.000 0.696) 12.277 7.644 ( -4.194 0.000 2.329) 4.797 8.111 ( -7.136 0.000 -0.058) 7.136 8.252 ( -0.380 0.000 3.395) 3.416 8.361 ( -1.957 0.000 -1.840) 2.686 8.532 ( 8.903 0.000 -5.180) 10.300 8.946 ( 5.208 0.000 1.370) 5.385 9.071 ( -13.595 0.000 -7.221) 15.394 9.166 ( 2.480 0.000 5.659) 6.179 9.843 ( 0.890 0.000 -1.260) 1.543 10.025 ( -1.421 0.000 1.541) 2.096 10.032 ( 13.457 0.000 -15.641) 20.633 10.192 ( -6.847 0.000 2.156) 7.179 10.404 ( 4.043 0.000 -2.516) 4.761 10.634 ( 2.160 0.000 1.935) 2.900 10.813 ( -10.411 0.000 11.800) 15.737 10.822 ( 10.311 0.000 3.062) 10.756 11.260 ( 3.468 0.000 5.998) 6.929 21.376 ( -5.772 0.000 2.940) 6.478 21.533 ( -1.499 0.000 1.671) 2.245 21.601 ( 0.517 0.000 1.569) 1.652 21.692 ( 0.354 0.000 -0.536) 0.643 22.681 ( -1.408 0.000 -1.893) 2.359 22.723 ( -0.004 0.000 1.504) 1.504 22.866 ( -0.478 0.000 -0.568) 0.743 22.904 ( 0.454 0.000 0.150) 0.478 23.403 ( 0.602 0.000 1.727) 1.829 23.616 ( 1.738 0.000 -3.439) 3.853 23.801 ( -1.520 0.000 1.824) 2.374 24.056 ( 3.066 0.000 -0.141) 3.069 26.744 ( -2.337 0.000 2.373) 3.331 26.953 ( 0.916 0.000 3.380) 3.502 26.987 ( -1.955 0.000 -2.379) 3.080 27.022 ( -0.632 0.000 -1.164) 1.325 29.711 ( -2.403 0.000 -2.180) 3.245 29.749 ( -3.082 0.000 -1.085) 3.268 30.017 ( -0.982 0.000 6.369) 6.444 30.090 ( -5.863 0.000 -6.066) 8.436 31.941 ( 0.973 0.000 1.041) 1.425 31.945 ( 0.182 0.000 -0.371) 0.413 32.447 ( -2.517 0.000 -1.503) 2.932 32.491 ( 0.114 0.000 1.556) 1.560 33.511 ( 0.223 0.000 0.187) 0.291 33.551 ( -0.036 0.000 0.074) 0.082 33.720 ( 0.120 0.000 0.402) 0.419 33.870 ( 2.554 0.000 0.342) 2.577 35.307 ( 0.654 0.000 1.510) 1.646 35.371 ( -0.355 0.000 -1.080) 1.137 35.383 ( -0.699 0.000 1.667) 1.808 35.456 ( 0.438 0.000 -0.802) 0.914 89.017 ( 3.200 0.000 0.141) 3.203 89.135 ( 0.566 0.000 2.331) 2.399 89.305 ( 4.098 0.000 -1.956) 4.541 89.607 ( 5.756 0.000 2.771) 6.389 92.207 ( -1.264 0.000 -0.384) 1.321 92.408 ( 4.717 0.000 0.401) 4.734 92.516 ( -6.020 0.000 3.866) 7.155 92.804 ( -0.736 0.000 5.866) 5.912 97.854 ( 0.686 0.000 1.064) 1.266 97.875 ( -0.183 0.000 -1.189) 1.203 98.039 ( -7.034 0.000 -3.099) 7.686 98.500 ( 0.055 0.000 -0.619) 0.621 103.701 ( 0.752 0.000 1.073) 1.310 103.712 ( -0.311 0.000 -0.921) 0.972 103.785 ( -0.297 0.000 -0.717) 0.776 103.800 ( 0.230 0.000 -0.013) 0.230 ======================= Grid point 66 (24/112) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 8.514 0.000 7.143) 11.114 1.182 ( 1.088 0.000 3.833) 3.985 1.376 ( 4.606 0.000 -5.913) 7.496 1.649 ( 3.917 0.000 -9.233) 10.030 1.799 ( -6.485 0.000 -4.185) 7.718 1.867 ( -5.269 0.000 2.255) 5.731 1.986 ( 2.649 0.000 -2.460) 3.615 2.118 ( -2.435 0.000 -2.260) 3.323 2.288 ( 0.414 0.000 1.078) 1.154 2.326 ( -3.706 0.000 4.825) 6.084 2.356 ( -4.503 0.000 0.765) 4.568 2.370 ( -6.042 0.000 6.709) 9.029 2.632 ( 0.762 0.000 2.086) 2.221 2.633 ( -2.294 0.000 2.893) 3.692 2.679 ( -7.519 0.000 5.759) 9.471 2.748 ( -0.733 0.000 0.956) 1.205 2.944 ( 2.698 0.000 2.834) 3.912 3.025 ( 2.826 0.000 -1.357) 3.135 3.047 ( 5.741 0.000 -11.981) 13.285 3.267 ( 2.750 0.000 -4.614) 5.371 3.276 ( 0.774 0.000 9.345) 9.377 3.435 ( 5.184 0.000 -3.252) 6.119 3.445 ( 2.254 0.000 -1.434) 2.672 3.586 ( 3.157 0.000 -2.812) 4.228 4.237 ( -0.153 0.000 -2.883) 2.887 4.466 ( -4.902 0.000 3.585) 6.074 4.524 ( -1.179 0.000 1.994) 2.316 4.549 ( -0.926 0.000 2.147) 2.338 4.693 ( -0.222 0.000 6.125) 6.129 4.730 ( -8.995 0.000 7.403) 11.649 4.799 ( -2.876 0.000 -1.586) 3.284 4.938 ( -2.529 0.000 -0.702) 2.625 4.951 ( -6.927 0.000 -5.477) 8.830 5.151 ( -5.833 0.000 -3.256) 6.680 5.158 ( -5.144 0.000 0.495) 5.168 5.258 ( -3.471 0.000 0.321) 3.486 5.456 ( -1.283 0.000 -3.893) 4.099 5.458 ( 1.387 0.000 -1.051) 1.740 5.501 ( -3.404 0.000 -2.348) 4.135 5.564 ( 1.724 0.000 1.642) 2.381 5.907 ( 4.288 0.000 -3.914) 5.806 6.011 ( 3.293 0.000 0.215) 3.300 6.115 ( 6.674 0.000 6.603) 9.388 6.189 ( 1.828 0.000 -2.769) 3.318 6.347 ( -8.846 0.000 0.573) 8.864 6.485 ( -3.256 0.000 3.232) 4.588 6.488 ( 4.307 0.000 -2.193) 4.833 6.548 ( 3.028 0.000 -0.908) 3.162 6.678 ( -0.937 0.000 -0.762) 1.208 6.774 ( 10.437 0.000 2.053) 10.636 6.937 ( 3.905 0.000 -0.616) 3.954 6.976 ( 4.618 0.000 4.371) 6.358 7.289 ( 0.186 0.000 0.697) 0.721 7.397 ( 1.386 0.000 -2.308) 2.693 7.501 ( -7.118 0.000 2.303) 7.481 7.623 ( -0.884 0.000 2.451) 2.605 7.975 ( -8.444 0.000 0.722) 8.475 8.261 ( -3.207 0.000 3.563) 4.794 8.339 ( -1.937 0.000 2.142) 2.888 8.585 ( 5.671 0.000 -5.944) 8.215 8.802 ( -9.397 0.000 -6.640) 11.506 9.049 ( 7.118 0.000 -0.933) 7.179 9.260 ( 1.314 0.000 5.608) 5.760 9.859 ( 3.255 0.000 -2.958) 4.398 9.990 ( -4.708 0.000 0.896) 4.793 10.070 ( 12.620 0.000 -15.518) 20.002 10.126 ( -2.534 0.000 -0.132) 2.538 10.430 ( 3.682 0.000 -4.598) 5.890 10.656 ( -2.999 0.000 4.049) 5.039 10.784 ( -7.651 0.000 9.936) 12.540 10.954 ( 3.646 0.000 1.005) 3.782 11.373 ( 3.292 0.000 3.252) 4.628 21.329 ( -3.430 0.000 1.856) 3.900 21.529 ( -1.130 0.000 1.438) 1.828 21.617 ( -0.142 0.000 0.594) 0.611 21.687 ( 0.242 0.000 -1.131) 1.156 22.647 ( -0.813 0.000 -0.794) 1.137 22.732 ( -0.601 0.000 0.991) 1.159 22.858 ( -0.052 0.000 -0.180) 0.187 22.907 ( 0.038 0.000 -0.082) 0.090 23.428 ( 0.312 0.000 1.402) 1.436 23.608 ( 1.726 0.000 -3.267) 3.695 23.805 ( -0.923 0.000 2.501) 2.666 24.097 ( 2.415 0.000 -0.606) 2.490 26.733 ( -1.985 0.000 2.086) 2.880 26.937 ( -1.280 0.000 -1.744) 2.163 26.992 ( 0.080 0.000 2.007) 2.009 26.998 ( -0.736 0.000 -1.120) 1.341 29.656 ( -1.316 0.000 -2.011) 2.404 29.688 ( -3.045 0.000 -0.545) 3.094 29.955 ( -3.458 0.000 -4.043) 5.321 30.054 ( -1.962 0.000 4.271) 4.700 31.945 ( 0.350 0.000 -0.459) 0.577 31.963 ( 0.660 0.000 0.461) 0.805 32.399 ( -1.639 0.000 -0.870) 1.855 32.497 ( -0.664 0.000 0.680) 0.950 33.514 ( -0.092 0.000 0.296) 0.310 33.556 ( 0.121 0.000 0.471) 0.486 33.730 ( 0.370 0.000 0.620) 0.723 33.905 ( 1.715 0.000 -0.272) 1.737 35.333 ( 0.607 0.000 1.323) 1.456 35.360 ( 0.153 0.000 -0.745) 0.761 35.383 ( -1.347 0.000 1.421) 1.958 35.455 ( 0.588 0.000 -0.926) 1.097 89.073 ( 2.540 0.000 1.532) 2.966 89.169 ( 0.490 0.000 2.479) 2.527 89.351 ( 3.871 0.000 -1.916) 4.319 89.713 ( 2.841 0.000 3.334) 4.380 92.190 ( -0.687 0.000 0.355) 0.773 92.475 ( -3.289 0.000 1.995) 3.847 92.486 ( 4.916 0.000 -0.792) 4.979 92.822 ( -4.002 0.000 3.909) 5.595 97.862 ( 0.069 0.000 -1.181) 1.183 97.872 ( 0.300 0.000 0.585) 0.658 97.913 ( -4.232 0.000 -2.085) 4.717 98.487 ( -0.267 0.000 -1.455) 1.479 103.700 ( -0.063 0.000 -0.587) 0.590 103.726 ( 0.856 0.000 1.133) 1.420 103.768 ( -0.762 0.000 -0.746) 1.067 103.804 ( 0.184 0.000 0.011) 0.185 ======================= Grid point 67 (25/112) ======================= q-point: ( 0.44 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 4.466 0.000 6.047) 7.518 1.203 ( 0.851 0.000 1.098) 1.389 1.412 ( 4.401 0.000 -3.031) 5.344 1.619 ( 3.212 0.000 -7.101) 7.794 1.643 ( -4.629 0.000 -6.050) 7.618 1.918 ( 1.001 0.000 11.234) 11.279 2.003 ( 1.464 0.000 -6.832) 6.987 2.027 ( 1.964 0.000 -5.573) 5.909 2.250 ( -2.763 0.000 -0.028) 2.763 2.259 ( -5.150 0.000 -3.169) 6.047 2.311 ( -2.650 0.000 1.477) 3.034 2.341 ( -5.949 0.000 3.626) 6.967 2.577 ( -0.187 0.000 -5.339) 5.342 2.603 ( -2.084 0.000 -1.695) 2.687 2.697 ( -3.332 0.000 6.643) 7.432 2.755 ( -3.957 0.000 3.404) 5.219 2.886 ( 0.739 0.000 -10.425) 10.451 3.078 ( 2.469 0.000 3.408) 4.208 3.151 ( 4.807 0.000 7.492) 8.902 3.293 ( 5.809 0.000 -5.071) 7.711 3.333 ( -4.466 0.000 5.222) 6.872 3.452 ( 0.966 0.000 -2.449) 2.633 3.476 ( 2.564 0.000 0.994) 2.750 3.631 ( 5.059 0.000 -1.687) 5.333 4.214 ( 1.203 0.000 -2.453) 2.732 4.429 ( -3.807 0.000 3.955) 5.489 4.533 ( -4.675 0.000 5.755) 7.415 4.568 ( -1.002 0.000 3.234) 3.386 4.656 ( -3.984 0.000 0.444) 4.009 4.697 ( -4.316 0.000 -2.492) 4.984 4.751 ( -0.092 0.000 -1.703) 1.706 4.878 ( 2.658 0.000 6.478) 7.002 4.965 ( 0.275 0.000 7.675) 7.680 5.066 ( -1.292 0.000 0.723) 1.480 5.139 ( -1.819 0.000 2.864) 3.393 5.209 ( -1.626 0.000 -0.813) 1.818 5.418 ( -3.904 0.000 0.790) 3.983 5.423 ( -0.106 0.000 -6.234) 6.235 5.460 ( 6.791 0.000 -6.850) 9.646 5.610 ( 0.267 0.000 2.152) 2.168 5.925 ( 4.088 0.000 -5.112) 6.545 6.048 ( 0.717 0.000 0.706) 1.006 6.203 ( 2.607 0.000 -1.298) 2.912 6.215 ( -8.075 0.000 0.494) 8.090 6.238 ( -0.090 0.000 4.827) 4.828 6.482 ( -1.405 0.000 3.179) 3.475 6.506 ( 2.631 0.000 -4.986) 5.638 6.554 ( 1.378 0.000 -3.480) 3.743 6.622 ( -1.082 0.000 -4.502) 4.630 6.906 ( 2.489 0.000 -1.608) 2.963 7.012 ( 2.032 0.000 3.618) 4.150 7.064 ( -0.155 0.000 5.188) 5.190 7.311 ( 0.961 0.000 2.308) 2.500 7.394 ( 1.983 0.000 -1.712) 2.620 7.454 ( -3.965 0.000 4.945) 6.339 7.661 ( -0.504 0.000 4.356) 4.385 7.915 ( -2.907 0.000 7.129) 7.699 8.237 ( -3.383 0.000 2.511) 4.213 8.326 ( -3.115 0.000 2.517) 4.005 8.596 ( 4.319 0.000 -6.604) 7.891 8.672 ( 0.744 0.000 -2.868) 2.963 9.133 ( 4.781 0.000 -2.490) 5.391 9.320 ( -2.118 0.000 6.476) 6.814 9.877 ( 2.963 0.000 -3.119) 4.302 9.918 ( -3.452 0.000 -0.550) 3.496 10.094 ( -0.520 0.000 -2.076) 2.140 10.105 ( 12.662 0.000 -15.981) 20.389 10.415 ( 1.324 0.000 -5.717) 5.868 10.648 ( -4.342 0.000 6.025) 7.426 10.776 ( -5.551 0.000 8.229) 9.926 10.977 ( 0.196 0.000 -1.636) 1.648 11.403 ( -0.980 0.000 -1.719) 1.979 21.303 ( -2.054 0.000 1.295) 2.428 21.527 ( -0.988 0.000 1.297) 1.631 21.605 ( -0.634 0.000 -1.643) 1.761 21.681 ( 0.700 0.000 -1.173) 1.366 22.642 ( 0.293 0.000 0.545) 0.619 22.726 ( -0.835 0.000 0.125) 0.845 22.860 ( 0.089 0.000 0.327) 0.339 22.906 ( 0.018 0.000 -0.225) 0.225 23.440 ( -0.490 0.000 0.977) 1.093 23.602 ( 1.753 0.000 -3.042) 3.511 23.824 ( -0.899 0.000 3.502) 3.615 24.115 ( 1.046 0.000 -1.308) 1.675 26.726 ( -1.555 0.000 1.936) 2.484 26.913 ( 0.285 0.000 -0.953) 0.995 26.980 ( 0.214 0.000 -1.070) 1.091 26.994 ( -1.134 0.000 0.038) 1.135 29.632 ( 0.598 0.000 -1.247) 1.383 29.648 ( -1.203 0.000 -0.336) 1.249 29.907 ( 0.914 0.000 -0.853) 1.250 30.041 ( -3.128 0.000 0.866) 3.246 31.946 ( 0.371 0.000 -0.417) 0.558 31.969 ( -0.046 0.000 -0.297) 0.300 32.382 ( -0.033 0.000 0.433) 0.434 32.489 ( -0.690 0.000 -0.113) 0.699 33.517 ( -0.042 0.000 0.548) 0.550 33.560 ( -0.234 0.000 0.311) 0.390 33.742 ( -0.014 0.000 1.017) 1.017 33.917 ( 0.622 0.000 -1.032) 1.205 35.353 ( 0.293 0.000 0.940) 0.985 35.359 ( 0.456 0.000 -0.297) 0.544 35.369 ( -1.908 0.000 0.831) 2.081 35.456 ( 0.709 0.000 -0.749) 1.032 89.121 ( 0.445 0.000 2.369) 2.410 89.212 ( 0.243 0.000 5.131) 5.137 89.380 ( 2.400 0.000 -2.187) 3.247 89.755 ( -1.310 0.000 1.817) 2.240 92.193 ( -0.212 0.000 1.495) 1.510 92.448 ( -2.018 0.000 0.803) 2.171 92.536 ( 3.195 0.000 -2.577) 4.105 92.762 ( -5.135 0.000 -0.423) 5.153 97.846 ( 0.465 0.000 -1.106) 1.200 97.875 ( -0.242 0.000 -0.065) 0.251 97.886 ( 0.336 0.000 1.800) 1.831 98.459 ( -0.079 0.000 -3.435) 3.436 103.698 ( 0.303 0.000 -0.115) 0.324 103.742 ( -0.871 0.000 -0.347) 0.937 103.755 ( 0.713 0.000 0.649) 0.965 103.806 ( 0.025 0.000 -0.027) 0.037 ======================= Grid point 68 (26/112) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -10.546 0.000 -0.717) 10.570 1.174 ( -6.876 0.000 9.128) 11.428 1.504 ( 12.483 0.000 -2.922) 12.821 1.600 ( 4.419 0.000 -7.844) 9.003 1.614 ( 3.444 0.000 3.778) 5.112 1.873 ( 1.912 0.000 -16.253) 16.365 2.001 ( -4.100 0.000 1.354) 4.318 2.083 ( 4.354 0.000 -0.172) 4.358 2.197 ( 4.363 0.000 -2.123) 4.852 2.217 ( -3.289 0.000 -0.780) 3.380 2.271 ( -4.037 0.000 2.937) 4.992 2.275 ( -2.574 0.000 0.948) 2.743 2.530 ( -3.317 0.000 -3.502) 4.824 2.538 ( 2.069 0.000 -5.455) 5.834 2.681 ( -8.643 0.000 7.651) 11.543 2.727 ( 1.399 0.000 -0.674) 1.552 2.819 ( 1.697 0.000 -5.250) 5.518 3.136 ( -0.825 0.000 2.757) 2.878 3.274 ( -3.182 0.000 2.168) 3.850 3.274 ( -2.204 0.000 1.872) 2.892 3.334 ( 4.731 0.000 0.562) 4.764 3.440 ( 1.438 0.000 -1.706) 2.232 3.520 ( -0.200 0.000 2.149) 2.158 3.692 ( 2.506 0.000 1.025) 2.708 4.227 ( 2.496 0.000 -0.625) 2.573 4.419 ( 0.156 0.000 -1.727) 1.734 4.516 ( -5.074 0.000 6.963) 8.616 4.575 ( -1.674 0.000 0.489) 1.744 4.575 ( -1.854 0.000 2.131) 2.824 4.693 ( -0.990 0.000 3.359) 3.502 4.773 ( 2.569 0.000 2.147) 3.348 4.998 ( 1.012 0.000 2.580) 2.772 5.086 ( 2.595 0.000 9.371) 9.723 5.123 ( 5.088 0.000 -0.143) 5.090 5.168 ( 2.246 0.000 4.652) 5.166 5.219 ( 3.753 0.000 2.807) 4.687 5.345 ( 0.383 0.000 -6.106) 6.118 5.382 ( -0.154 0.000 -0.616) 0.635 5.529 ( 7.881 0.000 -3.504) 8.625 5.610 ( -1.718 0.000 0.428) 1.770 5.919 ( 2.280 0.000 -6.625) 7.006 6.048 ( -1.612 0.000 0.449) 1.673 6.100 ( -5.558 0.000 -0.985) 5.644 6.215 ( -6.136 0.000 1.975) 6.446 6.241 ( 3.486 0.000 -1.314) 3.726 6.437 ( -0.031 0.000 -11.517) 11.517 6.505 ( -0.827 0.000 3.269) 3.372 6.542 ( 1.015 0.000 -0.780) 1.281 6.596 ( -0.209 0.000 2.382) 2.391 6.822 ( -6.674 0.000 -5.076) 8.385 7.057 ( -0.112 0.000 1.888) 1.891 7.096 ( -0.716 0.000 4.174) 4.235 7.380 ( 3.655 0.000 3.570) 5.109 7.424 ( 2.781 0.000 -1.910) 3.374 7.472 ( -3.769 0.000 9.638) 10.349 7.683 ( -4.579 0.000 8.244) 9.430 8.009 ( 1.898 0.000 8.507) 8.716 8.213 ( -1.767 0.000 0.345) 1.801 8.306 ( -0.171 0.000 -0.139) 0.220 8.588 ( 3.950 0.000 -7.071) 8.099 8.762 ( 8.858 0.000 3.305) 9.454 9.126 ( -1.923 0.000 -3.782) 4.242 9.326 ( -6.198 0.000 6.975) 9.331 9.881 ( 1.594 0.000 -3.533) 3.876 9.892 ( 2.216 0.000 -1.977) 2.970 10.057 ( -0.527 0.000 -3.125) 3.169 10.121 ( 11.387 0.000 -17.506) 20.883 10.360 ( -0.112 0.000 -5.479) 5.480 10.640 ( -4.365 0.000 5.421) 6.960 10.798 ( -3.783 0.000 10.532) 11.191 10.939 ( -1.530 0.000 -3.073) 3.433 11.308 ( -5.158 0.000 -6.005) 7.916 21.289 ( -1.334 0.000 1.091) 1.723 21.526 ( -0.886 0.000 1.308) 1.580 21.570 ( -0.197 0.000 -3.143) 3.149 21.682 ( 0.825 0.000 -1.210) 1.464 22.668 ( 1.446 0.000 1.726) 2.252 22.710 ( -0.767 0.000 -0.629) 0.992 22.866 ( 0.127 0.000 0.556) 0.570 22.904 ( 0.096 0.000 -0.324) 0.338 23.433 ( -1.420 0.000 0.657) 1.564 23.599 ( 1.819 0.000 -2.740) 3.289 23.848 ( -1.422 0.000 4.199) 4.434 24.102 ( -0.457 0.000 -1.954) 2.007 26.727 ( -0.985 0.000 2.035) 2.261 26.925 ( 2.118 0.000 -0.615) 2.205 26.960 ( -2.030 0.000 -1.440) 2.489 26.985 ( 1.556 0.000 -0.586) 1.663 29.641 ( 1.118 0.000 -1.108) 1.574 29.648 ( 2.369 0.000 -0.314) 2.390 29.965 ( 5.311 0.000 1.943) 5.655 29.978 ( -3.573 0.000 -2.063) 4.126 31.947 ( 0.260 0.000 -0.240) 0.354 31.956 ( -0.779 0.000 -0.845) 1.149 32.405 ( 1.454 0.000 1.468) 2.066 32.474 ( -0.465 0.000 -0.861) 0.979 33.527 ( 0.224 0.000 1.066) 1.089 33.556 ( -0.451 0.000 0.008) 0.452 33.750 ( -0.699 0.000 1.455) 1.614 33.904 ( -0.446 0.000 -1.648) 1.708 35.342 ( -2.111 0.000 0.271) 2.129 35.363 ( -0.119 0.000 0.587) 0.599 35.367 ( 0.612 0.000 0.237) 0.656 35.461 ( 0.757 0.000 -0.497) 0.906 89.135 ( -1.536 0.000 1.981) 2.506 89.295 ( -0.596 0.000 10.699) 10.715 89.380 ( 0.556 0.000 -2.132) 2.203 89.711 ( -4.383 0.000 -1.157) 4.533 92.214 ( -0.027 0.000 2.694) 2.694 92.427 ( -1.414 0.000 0.354) 1.458 92.517 ( -1.663 0.000 -3.722) 4.076 92.682 ( -1.135 0.000 -3.831) 3.996 97.859 ( 1.411 0.000 -0.121) 1.417 97.863 ( -0.723 0.000 -0.640) 0.965 97.948 ( 3.011 0.000 4.717) 5.596 98.409 ( 0.398 0.000 -6.296) 6.309 103.707 ( 0.637 0.000 0.334) 0.719 103.718 ( -1.153 0.000 -0.685) 1.341 103.779 ( 0.856 0.000 0.890) 1.234 103.804 ( -0.134 0.000 -0.172) 0.218 ======================= Grid point 69 (27/112) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -16.094 0.000 -2.470) 16.282 1.053 ( -19.077 0.000 7.720) 20.579 1.516 ( -7.976 0.000 -11.535) 14.024 1.683 ( 7.566 0.000 2.379) 7.931 1.752 ( 2.682 0.000 -7.212) 7.694 1.780 ( 9.957 0.000 1.888) 10.134 1.907 ( -0.575 0.000 -2.986) 3.041 2.099 ( 0.384 0.000 -6.939) 6.949 2.183 ( 1.997 0.000 -8.861) 9.083 2.186 ( 3.590 0.000 4.504) 5.760 2.319 ( 3.554 0.000 3.037) 4.675 2.353 ( 3.371 0.000 7.738) 8.441 2.434 ( -4.439 0.000 -2.247) 4.975 2.510 ( 1.982 0.000 -5.930) 6.252 2.676 ( -0.856 0.000 5.666) 5.731 2.746 ( 1.453 0.000 -0.629) 1.583 2.822 ( 3.187 0.000 -2.239) 3.895 3.092 ( -6.262 0.000 1.553) 6.452 3.217 ( -5.510 0.000 4.187) 6.920 3.236 ( -2.643 0.000 -2.425) 3.588 3.426 ( 5.824 0.000 -2.001) 6.158 3.475 ( 1.700 0.000 2.433) 2.968 3.503 ( -3.444 0.000 -0.115) 3.446 3.722 ( -1.425 0.000 2.697) 3.050 4.282 ( 3.361 0.000 2.039) 3.931 4.390 ( 1.912 0.000 -6.517) 6.792 4.540 ( -0.872 0.000 6.666) 6.723 4.552 ( -2.347 0.000 0.216) 2.357 4.593 ( -1.391 0.000 3.374) 3.649 4.731 ( -0.050 0.000 8.080) 8.081 4.865 ( 3.506 0.000 4.365) 5.599 4.948 ( -4.617 0.000 -2.251) 5.136 5.134 ( 1.293 0.000 -3.644) 3.867 5.204 ( 1.404 0.000 -4.671) 4.877 5.252 ( 6.138 0.000 5.964) 8.558 5.399 ( 1.230 0.000 4.579) 4.742 5.407 ( 12.277 0.000 0.190) 12.279 5.417 ( 7.993 0.000 4.096) 8.981 5.580 ( -1.657 0.000 -0.054) 1.658 5.611 ( 4.106 0.000 -0.081) 4.107 5.837 ( -3.365 0.000 -5.831) 6.732 6.003 ( -2.980 0.000 -2.190) 3.698 6.028 ( -3.105 0.000 -0.398) 3.130 6.136 ( -2.419 0.000 -1.852) 3.047 6.265 ( 1.701 0.000 -4.832) 5.123 6.309 ( -0.843 0.000 -7.146) 7.195 6.496 ( -1.198 0.000 -0.164) 1.209 6.609 ( 3.286 0.000 5.562) 6.460 6.611 ( -5.303 0.000 -0.899) 5.378 6.678 ( -2.911 0.000 3.916) 4.879 7.058 ( -0.678 0.000 -0.383) 0.779 7.158 ( 2.379 0.000 4.885) 5.434 7.409 ( -0.735 0.000 -4.425) 4.485 7.498 ( 6.185 0.000 3.263) 6.993 7.539 ( -3.611 0.000 13.987) 14.446 7.695 ( -5.742 0.000 9.189) 10.836 8.120 ( 2.015 0.000 5.700) 6.046 8.181 ( -1.001 0.000 -2.176) 2.395 8.335 ( 3.895 0.000 0.043) 3.895 8.575 ( 4.202 0.000 -7.251) 8.381 8.974 ( 11.106 0.000 4.077) 11.831 8.989 ( -8.544 0.000 -5.358) 10.085 9.276 ( -8.757 0.000 6.434) 10.867 9.836 ( -1.400 0.000 -5.678) 5.848 9.938 ( 6.224 0.000 -2.775) 6.815 10.014 ( -0.397 0.000 -3.087) 3.113 10.080 ( 7.509 0.000 -18.678) 20.131 10.308 ( 0.972 0.000 -4.846) 4.942 10.639 ( -2.998 0.000 5.919) 6.635 10.863 ( -4.343 0.000 -2.781) 5.157 10.882 ( -2.761 0.000 14.620) 14.879 11.142 ( -5.699 0.000 -6.584) 8.708 21.282 ( -1.343 0.000 1.702) 2.168 21.528 ( -0.724 0.000 1.444) 1.616 21.538 ( 0.536 0.000 -3.226) 3.270 21.681 ( 0.761 0.000 -1.328) 1.531 22.690 ( -0.471 0.000 -1.033) 1.136 22.721 ( 2.258 0.000 2.367) 3.272 22.875 ( 0.255 0.000 0.571) 0.626 22.901 ( 0.004 0.000 -0.422) 0.422 23.411 ( -2.063 0.000 0.605) 2.150 23.601 ( 2.030 0.000 -2.550) 3.260 23.864 ( -2.332 0.000 4.238) 4.837 24.063 ( -1.403 0.000 -2.284) 2.680 26.741 ( -0.410 0.000 2.786) 2.816 26.907 ( -2.181 0.000 -1.586) 2.697 26.960 ( 3.210 0.000 -1.207) 3.429 27.017 ( 2.426 0.000 0.404) 2.460 29.650 ( 2.727 0.000 -3.598) 4.514 29.695 ( 3.424 0.000 0.167) 3.428 29.894 ( -3.007 0.000 -3.193) 4.386 30.103 ( 7.863 0.000 3.138) 8.466 31.930 ( -1.139 0.000 -0.901) 1.452 31.949 ( 0.110 0.000 0.011) 0.110 32.453 ( 2.092 0.000 1.687) 2.688 32.453 ( -0.560 0.000 -1.515) 1.615 33.548 ( 0.490 0.000 1.966) 2.026 33.551 ( -0.004 0.000 -0.009) 0.010 33.751 ( -1.320 0.000 1.869) 2.288 33.869 ( -1.326 0.000 -1.939) 2.349 35.310 ( -1.989 0.000 0.086) 1.991 35.363 ( -0.396 0.000 0.389) 0.555 35.384 ( 0.761 0.000 0.866) 1.153 35.468 ( 0.559 0.000 -0.185) 0.589 89.121 ( -2.549 0.000 1.835) 3.141 89.358 ( -0.608 0.000 -1.521) 1.638 89.429 ( -1.792 0.000 18.570) 18.657 89.602 ( -5.326 0.000 -3.859) 6.577 92.247 ( -0.276 0.000 3.529) 3.540 92.414 ( -1.282 0.000 1.869) 2.266 92.426 ( -3.537 0.000 -3.744) 5.151 92.643 ( 1.316 0.000 -4.418) 4.610 97.841 ( -0.940 0.000 -0.911) 1.309 97.880 ( 1.215 0.000 0.156) 1.224 98.068 ( 4.178 0.000 5.804) 7.151 98.332 ( 1.039 0.000 -10.573) 10.624 103.693 ( -1.015 0.000 -0.556) 1.158 103.724 ( 0.760 0.000 0.617) 0.979 103.798 ( -0.153 0.000 -0.383) 0.413 103.800 ( 0.705 0.000 0.695) 0.990 ======================= Grid point 70 (28/112) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -18.667 0.000 2.021) 18.776 0.746 ( -21.607 0.000 -4.494) 22.069 1.138 ( -30.290 0.000 6.578) 30.996 1.768 ( 0.581 0.000 1.742) 1.837 1.779 ( 5.175 0.000 -3.324) 6.151 1.817 ( 3.578 0.000 -4.541) 5.781 2.063 ( 9.398 0.000 4.907) 10.602 2.090 ( 7.307 0.000 -6.180) 9.570 2.141 ( 5.715 0.000 -8.764) 10.463 2.290 ( 2.562 0.000 3.640) 4.451 2.350 ( -3.644 0.000 -0.302) 3.657 2.417 ( 1.388 0.000 -0.770) 1.587 2.479 ( 3.222 0.000 5.305) 6.207 2.492 ( 8.061 0.000 -4.436) 9.201 2.715 ( 0.213 0.000 -0.472) 0.518 2.785 ( 2.526 0.000 4.107) 4.822 2.852 ( 2.645 0.000 -1.862) 3.235 3.020 ( -6.213 0.000 4.294) 7.552 3.167 ( -6.215 0.000 4.097) 7.444 3.174 ( -1.262 0.000 -2.073) 2.427 3.413 ( -5.155 0.000 -2.944) 5.936 3.480 ( 1.680 0.000 -0.700) 1.820 3.508 ( 2.654 0.000 -2.073) 3.368 3.706 ( -3.781 0.000 2.250) 4.399 4.336 ( 0.437 0.000 -6.730) 6.744 4.364 ( 0.926 0.000 4.593) 4.685 4.528 ( 1.517 0.000 -0.785) 1.708 4.577 ( -1.347 0.000 2.317) 2.680 4.638 ( 1.447 0.000 6.511) 6.670 4.864 ( -1.896 0.000 0.636) 2.000 4.884 ( 3.055 0.000 13.023) 13.376 4.931 ( -0.374 0.000 0.646) 0.746 5.121 ( 2.104 0.000 -1.433) 2.545 5.178 ( 0.696 0.000 -2.713) 2.801 5.398 ( 6.479 0.000 1.258) 6.600 5.428 ( 0.412 0.000 -1.388) 1.448 5.511 ( 1.723 0.000 -3.103) 3.549 5.556 ( 3.834 0.000 -0.768) 3.910 5.617 ( 4.986 0.000 1.687) 5.263 5.650 ( -0.542 0.000 -2.970) 3.019 5.776 ( 2.239 0.000 2.765) 3.558 5.903 ( -2.409 0.000 -7.877) 8.237 5.995 ( -4.734 0.000 8.056) 9.344 6.108 ( 3.625 0.000 -5.668) 6.728 6.189 ( -2.120 0.000 -3.101) 3.757 6.261 ( -3.794 0.000 -0.739) 3.866 6.484 ( 0.468 0.000 -0.934) 1.045 6.499 ( -1.867 0.000 -3.740) 4.180 6.742 ( 5.798 0.000 3.831) 6.949 6.743 ( -1.042 0.000 8.048) 8.116 7.031 ( -1.069 0.000 -1.201) 1.608 7.251 ( 4.304 0.000 -2.077) 4.779 7.322 ( -3.607 0.000 -1.063) 3.760 7.594 ( -3.862 0.000 9.790) 10.524 7.692 ( 9.100 0.000 5.744) 10.761 7.696 ( -4.434 0.000 5.835) 7.328 8.142 ( -0.378 0.000 -2.359) 2.389 8.189 ( 1.105 0.000 2.000) 2.285 8.437 ( 5.152 0.000 7.294) 8.930 8.570 ( 4.552 0.000 -6.367) 7.827 8.757 ( -11.308 0.000 -7.096) 13.350 9.152 ( 9.055 0.000 -4.597) 10.155 9.191 ( -10.187 0.000 6.361) 12.010 9.713 ( -4.479 0.000 -7.721) 8.926 9.978 ( 3.254 0.000 -13.737) 14.118 9.987 ( 0.329 0.000 -1.627) 1.660 10.015 ( 7.655 0.000 -3.977) 8.627 10.294 ( 3.178 0.000 -4.263) 5.317 10.669 ( -1.975 0.000 6.305) 6.607 10.730 ( -9.008 0.000 -1.456) 9.125 11.028 ( -1.333 0.000 19.005) 19.051 11.028 ( -1.777 0.000 -2.624) 3.169 21.294 ( -1.538 0.000 6.411) 6.593 21.521 ( 1.117 0.000 -2.376) 2.625 21.533 ( -0.634 0.000 1.474) 1.605 21.678 ( 0.721 0.000 -1.263) 1.454 22.675 ( -0.019 0.000 -0.922) 0.922 22.785 ( 2.524 0.000 1.951) 3.190 22.886 ( 0.341 0.000 0.462) 0.575 22.894 ( -0.285 0.000 -0.544) 0.614 23.384 ( -2.157 0.000 0.843) 2.315 23.609 ( 2.357 0.000 -2.697) 3.582 23.861 ( -3.331 0.000 3.648) 4.940 24.015 ( -1.310 0.000 -2.123) 2.495 26.780 ( 0.422 0.000 4.968) 4.986 26.865 ( -1.692 0.000 -0.084) 1.694 26.997 ( 3.346 0.000 -1.877) 3.837 27.063 ( 2.143 0.000 0.720) 2.260 29.632 ( 2.107 0.000 -8.382) 8.643 29.753 ( 3.383 0.000 0.023) 3.383 29.824 ( -1.857 0.000 -2.104) 2.806 30.260 ( 7.333 0.000 2.197) 7.655 31.904 ( -1.009 0.000 -0.475) 1.116 31.951 ( -0.051 0.000 0.164) 0.172 32.426 ( -0.614 0.000 -1.472) 1.595 32.502 ( 1.835 0.000 1.454) 2.341 33.558 ( 0.772 0.000 0.107) 0.780 33.587 ( 1.075 0.000 3.066) 3.249 33.749 ( -1.707 0.000 2.258) 2.830 33.824 ( -1.661 0.000 -1.787) 2.439 35.283 ( -1.568 0.000 0.248) 1.588 35.360 ( -0.478 0.000 0.450) 0.656 35.409 ( 0.866 0.000 1.126) 1.420 35.479 ( 0.490 0.000 1.277) 1.367 89.097 ( -2.772 0.000 1.772) 3.290 89.335 ( -0.546 0.000 -0.600) 0.811 89.473 ( -4.204 0.000 -5.270) 6.742 89.663 ( 0.528 0.000 28.358) 28.363 92.273 ( -0.883 0.000 2.763) 2.901 92.343 ( -2.279 0.000 -2.794) 3.606 92.457 ( -0.777 0.000 12.817) 12.840 92.624 ( 1.449 0.000 -2.987) 3.320 97.817 ( -0.752 0.000 -0.749) 1.061 97.899 ( 0.862 0.000 0.066) 0.864 98.187 ( 3.070 0.000 4.855) 5.744 98.197 ( 0.213 0.000 -18.046) 18.047 103.675 ( -0.711 0.000 -0.273) 0.762 103.742 ( 0.516 0.000 0.589) 0.783 103.792 ( 0.040 0.000 -0.543) 0.544 103.815 ( 0.500 0.000 0.138) 0.519 ======================= Grid point 71 (29/112) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -20.155 0.000 -1.192) 20.190 0.396 ( -17.114 0.000 14.286) 22.292 0.802 ( -33.916 0.000 28.702) 44.431 1.771 ( -0.810 0.000 -1.634) 1.824 1.821 ( 3.236 0.000 -1.693) 3.652 1.844 ( 3.700 0.000 -0.169) 3.704 2.151 ( 4.688 0.000 -3.115) 5.629 2.165 ( 7.028 0.000 -4.288) 8.233 2.213 ( 3.750 0.000 -0.101) 3.752 2.324 ( 0.165 0.000 -10.742) 10.744 2.329 ( -0.093 0.000 1.288) 1.291 2.372 ( 2.602 0.000 4.436) 5.143 2.567 ( 1.978 0.000 2.913) 3.521 2.665 ( 10.448 0.000 2.007) 10.639 2.708 ( -0.659 0.000 1.127) 1.305 2.859 ( 1.025 0.000 -1.184) 1.566 2.875 ( 1.846 0.000 4.072) 4.471 2.968 ( -6.073 0.000 1.842) 6.346 3.117 ( -6.399 0.000 5.454) 8.408 3.165 ( 2.269 0.000 -1.658) 2.810 3.306 ( -2.984 0.000 -2.486) 3.884 3.432 ( -1.989 0.000 -5.498) 5.846 3.545 ( 3.196 0.000 -1.475) 3.520 3.651 ( -4.146 0.000 -0.540) 4.181 4.286 ( 1.309 0.000 -3.804) 4.022 4.363 ( -3.059 0.000 0.309) 3.074 4.591 ( 0.033 0.000 3.110) 3.111 4.631 ( 6.113 0.000 5.514) 8.232 4.708 ( -0.081 0.000 3.637) 3.638 4.876 ( -2.781 0.000 -2.450) 3.706 4.892 ( -0.097 0.000 6.457) 6.458 5.056 ( 3.585 0.000 -1.748) 3.989 5.172 ( 3.076 0.000 0.998) 3.234 5.301 ( 12.404 0.000 19.272) 22.919 5.388 ( -1.469 0.000 -2.015) 2.494 5.450 ( 0.606 0.000 -3.283) 3.339 5.503 ( 1.725 0.000 -1.641) 2.381 5.567 ( 0.001 0.000 -2.088) 2.088 5.593 ( -3.992 0.000 -15.660) 16.161 5.621 ( 1.950 0.000 0.713) 2.076 5.799 ( -1.815 0.000 -3.618) 4.048 5.808 ( -1.107 0.000 -0.925) 1.442 6.075 ( 3.329 0.000 4.097) 5.279 6.129 ( -0.373 0.000 5.863) 5.875 6.152 ( -2.692 0.000 2.914) 3.967 6.164 ( -5.052 0.000 -0.236) 5.058 6.472 ( 2.046 0.000 -2.690) 3.380 6.487 ( 1.456 0.000 -1.512) 2.099 6.744 ( -5.331 0.000 -2.883) 6.061 6.806 ( 3.372 0.000 -7.759) 8.460 7.046 ( 1.172 0.000 5.432) 5.557 7.187 ( -0.482 0.000 -7.755) 7.770 7.341 ( 0.845 0.000 0.245) 0.880 7.566 ( -6.792 0.000 -0.032) 6.792 7.641 ( -6.707 0.000 -1.087) 6.794 7.911 ( 11.443 0.000 2.385) 11.689 8.135 ( 0.075 0.000 2.175) 2.176 8.181 ( -1.077 0.000 -2.477) 2.701 8.489 ( -12.282 0.000 -5.273) 13.366 8.611 ( 7.495 0.000 -4.540) 8.763 8.764 ( 14.646 0.000 23.764) 27.915 9.091 ( 2.247 0.000 -13.057) 13.249 9.100 ( -9.685 0.000 7.124) 12.023 9.579 ( -3.158 0.000 -3.527) 4.734 9.958 ( 4.187 0.000 1.009) 4.307 9.990 ( 0.633 0.000 0.445) 0.774 10.103 ( 9.437 0.000 -4.221) 10.338 10.308 ( 3.752 0.000 -3.828) 5.360 10.576 ( -9.377 0.000 1.357) 9.475 10.687 ( -4.593 0.000 4.707) 6.576 11.017 ( 0.273 0.000 1.975) 1.994 11.216 ( 0.505 0.000 7.449) 7.466 21.474 ( 10.152 0.000 21.679) 23.938 21.523 ( 1.413 0.000 -1.047) 1.758 21.537 ( -0.760 0.000 1.250) 1.463 21.678 ( 0.764 0.000 -1.025) 1.279 22.672 ( 0.434 0.000 -0.316) 0.537 22.828 ( 1.292 0.000 -0.872) 1.559 22.871 ( -1.759 0.000 -2.646) 3.177 22.894 ( 0.142 0.000 0.245) 0.283 23.364 ( -1.636 0.000 1.251) 2.059 23.617 ( 2.624 0.000 -3.072) 4.040 23.840 ( -3.705 0.000 3.751) 5.272 23.983 ( -0.192 0.000 -1.510) 1.522 26.834 ( -0.057 0.000 1.081) 1.082 26.899 ( 2.930 0.000 6.106) 6.772 27.025 ( 2.805 0.000 -2.129) 3.521 27.092 ( 0.796 0.000 -0.020) 0.797 29.533 ( -1.828 0.000 -2.793) 3.338 29.796 ( 2.070 0.000 -0.549) 2.141 29.799 ( -0.279 0.000 0.864) 0.908 30.362 ( 3.735 0.000 -0.586) 3.780 31.890 ( -0.486 0.000 0.197) 0.525 31.951 ( -0.159 0.000 0.123) 0.201 32.410 ( 0.044 0.000 -0.295) 0.298 32.543 ( 1.497 0.000 1.188) 1.911 33.573 ( 0.828 0.000 -0.152) 0.842 33.638 ( 1.562 0.000 -0.826) 1.767 33.746 ( -1.889 0.000 2.112) 2.833 33.786 ( -0.802 0.000 -1.043) 1.315 35.268 ( -0.929 0.000 0.640) 1.128 35.359 ( -0.396 0.000 0.717) 0.819 35.423 ( 0.301 0.000 -0.572) 0.647 35.538 ( 3.362 0.000 3.225) 4.658 89.074 ( -2.235 0.000 1.664) 2.786 89.324 ( -0.867 0.000 -1.020) 1.339 89.377 ( -0.026 0.000 -4.093) 4.093 89.943 ( -0.662 0.000 -4.449) 4.498 92.277 ( -1.281 0.000 1.388) 1.889 92.297 ( -0.431 0.000 -1.569) 1.627 92.629 ( 1.648 0.000 -0.451) 1.708 92.866 ( 21.299 0.000 38.864) 44.317 97.804 ( -0.109 0.000 0.028) 0.113 97.908 ( 0.409 0.000 -0.318) 0.518 97.938 ( -5.441 0.000 -10.387) 11.726 98.259 ( 0.346 0.000 2.943) 2.964 103.666 ( -0.304 0.000 0.120) 0.327 103.749 ( -0.021 0.000 0.029) 0.036 103.790 ( 0.343 0.000 -0.371) 0.505 103.809 ( -0.849 0.000 -1.764) 1.958 ======================= Grid point 72 (30/112) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.152 11.662 13.754) 18.034 0.544 ( 1.362 12.564 14.487) 19.224 1.077 ( -8.022 18.924 30.970) 37.170 1.615 ( -0.635 -7.973 -1.350) 8.111 1.872 ( 4.077 1.107 -5.658) 7.061 1.961 ( 0.683 2.756 -0.015) 2.839 2.089 ( -1.454 -7.523 0.098) 7.663 2.124 ( 1.676 -1.620 -5.668) 6.128 2.221 ( 0.388 -3.794 -1.054) 3.957 2.246 ( 3.515 -3.374 0.427) 4.891 2.338 ( 0.025 4.249 -1.215) 4.419 2.511 ( 2.133 0.837 3.194) 3.931 2.603 ( -2.252 -0.240 1.748) 2.861 2.735 ( -0.899 -1.228 0.430) 1.582 2.782 ( -1.018 0.054 4.716) 4.825 2.830 ( -2.199 0.891 2.100) 3.169 2.886 ( 3.442 1.452 -1.337) 3.968 2.908 ( -2.187 1.057 0.842) 2.571 3.050 ( -4.371 -2.051 2.079) 5.257 3.168 ( 0.338 -1.195 1.022) 1.608 3.228 ( 1.421 -5.080 0.376) 5.288 3.420 ( 3.155 4.605 -9.386) 10.921 3.531 ( -0.963 -3.567 -2.576) 4.504 3.582 ( -0.413 0.931 -2.525) 2.722 4.285 ( 3.324 0.552 -0.826) 3.469 4.457 ( -0.238 4.463 -6.723) 8.073 4.555 ( -1.682 -4.336 2.486) 5.273 4.652 ( 0.364 -1.590 1.446) 2.180 4.753 ( -2.970 0.696 4.039) 5.062 4.874 ( -0.112 -1.813 2.874) 3.400 4.952 ( -4.522 -0.735 3.880) 6.003 4.997 ( -5.890 -7.911 4.687) 10.920 5.146 ( 3.008 -2.935 0.258) 4.210 5.172 ( -6.518 -0.933 3.390) 7.405 5.319 ( -0.519 -3.020 0.402) 3.090 5.349 ( -0.327 -3.953 -2.040) 4.460 5.488 ( 1.837 1.316 -2.509) 3.376 5.517 ( -0.765 -1.870 -3.257) 3.833 5.631 ( 7.651 -2.580 -2.042) 8.329 5.672 ( 0.542 1.726 2.160) 2.817 5.839 ( -1.551 3.456 -2.542) 4.562 5.857 ( 4.678 4.274 -6.561) 9.122 5.983 ( 5.291 -4.590 3.891) 8.013 6.124 ( -0.243 0.720 -0.823) 1.120 6.198 ( -3.515 2.291 5.513) 6.927 6.326 ( 2.362 0.843 2.499) 3.541 6.450 ( 3.458 -2.487 -3.296) 5.386 6.567 ( -1.010 2.327 2.981) 3.915 6.699 ( -3.300 7.963 -6.426) 10.752 6.750 ( 0.592 1.782 -9.227) 9.416 6.968 ( -4.599 -2.671 -8.511) 10.036 7.190 ( -0.877 4.362 6.108) 7.557 7.359 ( 1.953 0.511 0.054) 2.019 7.455 ( -5.437 2.577 -10.086) 11.745 7.627 ( -3.204 0.811 6.959) 7.704 7.974 ( 6.083 -6.164 -2.289) 8.957 8.145 ( -8.673 2.552 3.190) 9.587 8.203 ( 2.572 0.245 5.139) 5.752 8.405 ( -0.193 5.213 -4.833) 7.112 8.636 ( 4.442 2.324 5.709) 7.598 8.767 ( -4.094 3.683 -8.743) 10.333 9.078 ( -5.226 2.260 5.659) 8.028 9.384 ( 14.855 -9.944 -1.936) 17.981 9.475 ( 3.398 -5.303 -2.988) 6.972 10.014 ( -2.725 1.174 1.392) 3.278 10.065 ( 1.128 3.118 2.691) 4.271 10.273 ( 2.329 -0.891 -3.016) 3.913 10.367 ( -1.468 -7.046 1.715) 7.399 10.454 ( 4.016 1.646 1.957) 4.761 10.580 ( -2.906 2.913 -5.898) 7.191 10.947 ( -6.556 -0.203 9.587) 11.616 11.083 ( -2.666 -0.788 4.212) 5.047 21.448 ( -5.709 -7.914 9.654) 13.727 21.518 ( -1.013 -1.844 1.453) 2.557 21.542 ( 1.323 0.047 0.157) 1.333 21.663 ( 0.771 -1.692 -0.712) 1.991 22.742 ( 1.225 1.594 -1.660) 2.607 22.762 ( -2.044 0.128 -0.657) 2.151 22.856 ( 0.952 0.368 0.429) 1.107 22.894 ( -0.498 -0.002 -0.142) 0.518 23.455 ( -0.336 4.974 -2.502) 5.578 23.640 ( 2.508 1.359 -3.583) 4.580 23.814 ( -2.986 -1.498 3.253) 4.663 23.964 ( 1.390 -1.538 -0.706) 2.190 26.783 ( -4.094 -1.664 3.185) 5.447 26.840 ( 0.112 -1.133 2.084) 2.375 27.050 ( 1.272 0.746 -1.610) 2.183 27.104 ( -0.936 0.515 -1.893) 2.174 29.632 ( 5.843 -4.597 5.981) 9.541 29.796 ( 0.712 -2.404 2.833) 3.784 29.866 ( 0.830 3.311 0.697) 3.484 30.333 ( -1.145 -2.947 -4.302) 5.338 31.969 ( 0.626 4.107 -0.504) 4.185 31.993 ( -0.221 4.628 -0.739) 4.692 32.393 ( 0.910 -2.913 1.209) 3.283 32.500 ( -0.996 -3.901 -0.125) 4.028 33.533 ( -2.786 0.618 0.933) 3.003 33.588 ( -0.155 1.297 -0.762) 1.512 33.713 ( -1.049 -1.052 0.815) 1.695 33.769 ( 1.249 -1.550 -0.095) 1.992 35.284 ( -0.183 1.474 0.957) 1.767 35.411 ( 1.678 0.526 -1.460) 2.286 35.424 ( 0.056 1.545 -1.281) 2.008 35.526 ( -3.987 0.403 -2.110) 4.529 89.034 ( -5.414 -1.419 1.728) 5.857 89.131 ( -14.389 -4.176 7.258) 16.649 89.283 ( 0.388 0.183 -3.294) 3.322 89.389 ( 3.137 -1.227 -0.559) 3.414 92.281 ( -1.468 1.582 0.305) 2.180 92.342 ( 1.374 2.680 -2.425) 3.867 92.651 ( 1.610 -1.520 2.190) 3.114 92.748 ( -12.021 -7.210 5.651) 15.114 97.819 ( 0.392 0.753 0.967) 1.287 97.929 ( -0.149 1.876 -0.482) 1.943 98.057 ( 9.089 -7.967 8.707) 14.897 98.300 ( 0.796 -3.026 -0.752) 3.218 103.674 ( 0.136 0.686 0.394) 0.802 103.752 ( -0.634 -1.050 -0.447) 1.306 103.825 ( 0.050 2.064 -0.489) 2.122 103.887 ( 0.774 4.833 -6.014) 7.754 ======================= Grid point 73 (31/112) ======================= q-point: ( 0.11 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 4.138 12.425 10.838) 16.999 0.757 ( 2.951 6.836 18.279) 19.737 1.420 ( 8.239 7.806 22.799) 25.468 1.577 ( 0.329 -3.691 -3.340) 4.989 1.837 ( 2.875 0.709 -9.676) 10.119 1.972 ( 0.483 -1.859 -1.781) 2.620 2.015 ( -5.174 0.012 0.777) 5.232 2.149 ( 0.950 -5.760 0.516) 5.861 2.193 ( -2.183 -2.844 -2.346) 4.284 2.261 ( -0.381 -1.178 -0.833) 1.492 2.355 ( 0.976 1.212 5.577) 5.790 2.533 ( -4.059 -0.449 0.399) 4.103 2.584 ( -2.953 0.741 6.080) 6.799 2.697 ( -3.009 2.061 -0.318) 3.661 2.804 ( -3.397 -2.494 1.478) 4.466 2.826 ( -3.126 -2.149 4.907) 6.203 2.852 ( -2.100 2.097 2.051) 3.607 2.934 ( 1.816 1.376 -0.518) 2.337 3.013 ( -0.017 -4.056 -0.821) 4.138 3.173 ( -0.115 0.239 0.086) 0.279 3.249 ( 1.162 -4.111 -2.295) 4.849 3.411 ( 6.985 3.903 -8.303) 11.531 3.479 ( 0.708 0.379 -5.354) 5.414 3.566 ( 0.959 -0.688 -1.543) 1.942 4.327 ( -0.079 1.952 -0.396) 1.993 4.417 ( 3.741 1.547 -1.394) 4.281 4.544 ( -2.043 -1.138 2.492) 3.418 4.650 ( -2.711 1.072 0.664) 2.990 4.676 ( -6.240 1.914 0.259) 6.532 4.878 ( -10.514 -4.012 7.792) 13.688 4.936 ( -1.494 -3.728 7.278) 8.312 4.946 ( -4.988 -3.325 1.845) 6.272 5.131 ( -2.704 -2.969 -1.646) 4.341 5.228 ( 3.375 -3.335 4.875) 6.803 5.304 ( -0.513 -1.478 0.116) 1.569 5.340 ( -3.269 -2.865 -1.568) 4.621 5.466 ( -3.309 -5.045 -1.942) 6.338 5.502 ( 4.622 0.641 -1.635) 4.944 5.635 ( 1.515 0.370 -5.324) 5.548 5.717 ( -4.117 2.718 -5.908) 7.696 5.731 ( 2.734 1.422 0.358) 3.103 5.883 ( 4.448 3.095 -3.471) 6.435 6.060 ( -2.850 4.979 0.271) 5.743 6.129 ( 4.731 -2.779 -1.803) 5.775 6.238 ( 2.844 -1.741 3.536) 4.861 6.396 ( 1.664 0.439 5.305) 5.577 6.441 ( 0.378 -1.525 -0.371) 1.614 6.560 ( -0.552 4.402 -6.084) 7.530 6.674 ( -1.247 3.602 -5.331) 6.554 6.689 ( 5.177 1.778 5.269) 7.598 6.807 ( -1.501 -4.707 -10.004) 11.157 7.190 ( -5.232 5.882 -2.047) 8.134 7.269 ( -2.167 -0.185 -5.806) 6.200 7.401 ( 3.407 2.338 -0.576) 4.172 7.612 ( -7.450 -1.825 3.290) 8.346 8.028 ( -8.612 11.112 2.983) 14.372 8.055 ( 5.869 -6.683 -0.109) 8.894 8.270 ( 0.370 3.523 1.971) 4.054 8.391 ( 0.125 0.695 -2.137) 2.250 8.594 ( 1.270 7.594 -7.453) 10.716 8.819 ( 4.856 -1.435 4.376) 6.692 9.064 ( -3.876 -1.238 3.277) 5.224 9.346 ( -2.485 -0.552 -6.983) 7.433 9.641 ( 8.534 -15.107 -0.168) 17.352 9.942 ( -1.578 2.148 -2.588) 3.715 10.098 ( -0.914 2.758 2.941) 4.134 10.242 ( -1.770 -1.042 -2.371) 3.137 10.426 ( 5.492 -8.341 3.286) 10.514 10.508 ( 0.436 5.300 -0.033) 5.318 10.601 ( 8.163 0.897 -1.241) 8.305 10.928 ( -7.568 4.247 9.048) 12.537 11.126 ( 0.239 -2.261 6.901) 7.266 21.415 ( -6.628 -2.915 5.133) 8.875 21.516 ( -1.418 -2.044 1.659) 2.990 21.568 ( 1.043 -0.243 1.079) 1.520 21.669 ( 0.750 -1.690 -0.519) 1.920 22.721 ( -1.666 0.853 -0.561) 1.954 22.737 ( -0.310 1.103 -0.507) 1.253 22.873 ( 0.069 -0.477 0.274) 0.555 22.893 ( 0.593 0.163 -0.460) 0.768 23.437 ( -0.007 4.642 0.098) 4.643 23.639 ( 2.333 1.364 -3.775) 4.642 23.798 ( -2.601 -1.250 2.457) 3.790 23.991 ( 2.514 -1.784 -0.306) 3.097 26.759 ( -2.738 0.047 2.535) 3.732 26.871 ( 0.303 -2.023 2.591) 3.301 27.047 ( 0.037 0.552 -1.110) 1.240 27.062 ( -1.169 1.183 -2.053) 2.642 29.729 ( 0.996 -3.577 2.159) 4.295 29.796 ( -1.642 1.404 -1.710) 2.755 29.919 ( 0.432 -2.403 6.078) 6.550 30.221 ( -5.042 -2.736 -6.173) 8.427 31.974 ( 0.289 4.957 0.173) 4.969 31.984 ( -0.089 3.422 -0.115) 3.425 32.426 ( 0.711 -3.195 1.657) 3.668 32.468 ( -1.876 -3.243 -0.905) 3.854 33.519 ( -0.341 1.334 0.384) 1.429 33.576 ( -0.095 1.504 -0.575) 1.613 33.706 ( -0.606 -1.070 0.455) 1.311 33.803 ( 2.456 -1.689 0.461) 3.016 35.296 ( 0.187 1.221 1.254) 1.760 35.396 ( -0.976 0.222 -1.186) 1.552 35.420 ( -0.234 2.742 -0.773) 2.858 35.464 ( -1.088 0.276 -0.217) 1.143 88.988 ( -0.501 0.725 1.423) 1.673 89.096 ( -1.237 -0.870 3.318) 3.646 89.278 ( 2.959 0.557 -2.703) 4.047 89.465 ( 5.645 -2.078 0.802) 6.068 92.255 ( -1.545 1.809 -0.289) 2.397 92.355 ( 2.205 1.262 -0.455) 2.581 92.610 ( -9.038 0.228 4.065) 9.913 92.714 ( 1.196 -1.994 4.284) 4.874 97.844 ( 0.964 1.365 1.513) 2.255 97.910 ( -0.642 1.734 -1.277) 2.247 98.142 ( -4.036 -3.056 -0.241) 5.068 98.350 ( 3.988 -9.853 1.811) 10.783 103.684 ( 0.375 0.480 0.801) 1.006 103.729 ( -0.947 -0.259 -0.987) 1.392 103.816 ( -0.314 1.750 -0.658) 1.896 103.846 ( -0.097 3.472 -2.140) 4.080 ======================= Grid point 74 (32/112) ======================= q-point: ( 0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 7.559 11.501 7.801) 15.820 1.000 ( 3.424 1.339 15.200) 15.639 1.453 ( 1.391 -0.998 -11.204) 11.334 1.708 ( 3.866 2.691 -9.584) 10.679 1.826 ( -3.257 -6.031 11.167) 13.103 1.924 ( -2.480 -2.775 -4.343) 5.719 1.947 ( 0.775 0.604 -2.746) 2.917 2.131 ( -1.730 -4.087 3.913) 5.917 2.212 ( 2.319 1.761 2.275) 3.695 2.258 ( -2.461 -1.084 3.638) 4.524 2.384 ( -2.942 -0.747 1.141) 3.242 2.501 ( -4.236 0.820 7.650) 8.783 2.601 ( -4.487 1.565 7.962) 9.272 2.643 ( -0.609 1.354 -2.972) 3.322 2.738 ( -6.467 -0.244 3.175) 7.209 2.779 ( -3.596 -0.775 0.473) 3.708 2.872 ( -1.309 -1.153 3.009) 3.478 2.990 ( 5.046 2.156 -2.290) 5.946 3.041 ( 2.754 -7.665 3.759) 8.970 3.157 ( 1.425 0.849 -5.284) 5.539 3.225 ( 0.604 -5.806 -4.049) 7.104 3.431 ( 4.735 2.481 -5.076) 7.371 3.450 ( 1.992 2.466 -4.430) 5.447 3.578 ( 2.759 -0.245 -2.241) 3.563 4.296 ( -2.124 1.906 -0.166) 2.858 4.476 ( 3.126 0.259 -1.701) 3.568 4.561 ( -1.731 1.174 1.213) 2.418 4.595 ( -5.986 0.933 3.402) 6.948 4.609 ( -0.896 1.079 3.561) 3.828 4.783 ( -10.132 -3.169 5.712) 12.055 4.860 ( -6.221 -3.056 1.145) 7.025 4.983 ( -2.722 -1.306 2.265) 3.774 5.033 ( -2.875 -2.937 -3.770) 5.577 5.246 ( -3.544 -1.277 -3.032) 4.836 5.283 ( -4.454 0.018 2.952) 5.343 5.342 ( -3.760 -5.627 -4.109) 7.917 5.348 ( 0.814 -1.162 3.514) 3.790 5.522 ( -0.290 -0.245 -3.433) 3.454 5.593 ( 0.329 3.542 -3.869) 5.256 5.619 ( -2.407 2.385 -2.139) 4.007 5.793 ( 3.146 -5.312 -0.014) 6.174 5.898 ( 1.608 -2.684 -3.258) 4.517 5.991 ( -2.587 4.026 0.503) 4.812 6.224 ( 8.781 -0.492 -1.782) 8.974 6.343 ( 3.823 0.582 3.841) 5.451 6.428 ( -1.634 -2.214 -1.043) 2.942 6.463 ( -0.858 -1.358 1.722) 2.355 6.577 ( -1.041 -0.174 -0.267) 1.088 6.596 ( 6.250 3.077 2.192) 7.303 6.735 ( 3.012 0.127 -6.231) 6.922 6.865 ( 5.931 2.832 8.687) 10.893 7.029 ( -2.563 5.158 -9.839) 11.401 7.246 ( -1.595 -1.748 2.167) 3.209 7.446 ( 1.708 1.392 -0.250) 2.218 7.502 ( -5.299 0.387 -0.933) 5.394 7.917 ( -6.612 14.264 -0.006) 15.722 8.118 ( -2.871 0.317 1.972) 3.498 8.275 ( 0.779 1.564 0.326) 1.777 8.360 ( -1.103 1.552 0.924) 2.117 8.585 ( 3.858 3.508 -5.709) 7.732 8.915 ( -0.305 -3.891 0.146) 3.905 8.973 ( -3.234 -2.790 -2.393) 4.896 9.285 ( 0.810 5.828 -0.222) 5.888 9.728 ( 4.609 -10.746 -1.226) 11.757 9.946 ( 6.657 -0.034 -6.277) 9.150 10.088 ( -3.937 0.405 1.990) 4.430 10.190 ( -0.018 1.068 -3.525) 3.683 10.496 ( 0.670 3.894 -0.243) 3.958 10.559 ( 3.532 -5.477 1.354) 6.656 10.712 ( 2.936 -3.032 4.299) 6.024 10.914 ( -4.456 2.993 6.652) 8.547 11.224 ( 2.644 -3.326 6.291) 7.592 21.368 ( -4.582 -0.449 2.971) 5.479 21.510 ( -1.327 -1.980 1.506) 2.820 21.595 ( 0.604 -0.510 1.215) 1.450 21.673 ( 0.486 -1.655 -0.638) 1.839 22.684 ( -1.533 0.521 -1.157) 1.990 22.737 ( -0.383 0.937 1.003) 1.425 22.867 ( -0.310 -0.044 -0.453) 0.551 22.897 ( 0.187 -0.542 -0.072) 0.578 23.450 ( 0.635 4.038 1.036) 4.217 23.635 ( 2.108 1.700 -3.633) 4.531 23.788 ( -1.663 -1.026 2.245) 2.976 24.033 ( 2.832 -2.201 -0.223) 3.593 26.744 ( -2.273 0.075 2.016) 3.039 26.891 ( -0.733 -3.524 1.093) 3.762 27.023 ( -0.762 1.138 -0.975) 1.681 27.041 ( -0.224 1.766 -0.329) 1.810 29.731 ( -2.642 1.706 -2.873) 4.260 29.736 ( -1.886 -0.566 1.027) 2.221 29.985 ( -0.842 -2.850 6.165) 6.844 30.064 ( -5.597 -2.394 -5.854) 8.446 31.973 ( -0.100 3.196 -0.281) 3.209 31.995 ( 0.711 4.242 0.630) 4.347 32.409 ( -2.328 -3.412 -1.191) 4.299 32.462 ( 0.105 -2.785 1.201) 3.035 33.518 ( -0.176 0.902 0.183) 0.937 33.578 ( 0.594 2.174 0.058) 2.254 33.705 ( -0.015 -1.295 0.354) 1.343 33.848 ( 2.432 -1.948 0.269) 3.127 35.314 ( 0.289 0.619 1.224) 1.402 35.369 ( -0.977 0.059 -0.438) 1.072 35.408 ( -0.588 1.747 0.163) 1.850 35.462 ( 0.588 0.509 -0.436) 0.891 89.021 ( 2.630 0.449 0.521) 2.719 89.123 ( 0.439 -1.101 2.349) 2.631 89.313 ( 4.257 0.808 -2.039) 4.789 89.574 ( 5.698 -2.948 1.987) 6.716 92.230 ( -1.196 2.097 -0.198) 2.422 92.397 ( 2.435 -0.766 0.694) 2.645 92.545 ( -3.680 2.140 2.271) 4.825 92.774 ( -0.508 -2.718 4.950) 5.670 97.876 ( 0.866 2.018 1.353) 2.579 97.885 ( -0.523 1.079 -1.346) 1.802 98.028 ( -6.264 -1.014 -3.071) 7.050 98.409 ( 1.431 -7.606 1.034) 7.808 103.701 ( 0.237 0.030 0.562) 0.611 103.709 ( -0.255 -0.118 -0.314) 0.422 103.802 ( -0.518 1.532 -0.762) 1.788 103.832 ( -0.072 2.148 -0.597) 2.231 ======================= Grid point 75 (33/112) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 6.523 6.345 3.098) 9.613 1.141 ( 0.502 -1.598 5.681) 5.923 1.407 ( 4.479 2.406 -5.408) 7.423 1.623 ( 1.234 -1.278 -8.603) 8.785 1.764 ( -5.309 -8.255 0.352) 9.821 1.838 ( -3.104 2.708 -3.054) 5.128 1.980 ( 2.759 -0.809 -1.193) 3.113 2.150 ( -2.627 2.878 -1.881) 4.327 2.183 ( -4.084 -6.377 4.881) 9.009 2.294 ( -0.903 -2.415 1.263) 2.871 2.359 ( -2.734 1.648 1.004) 3.346 2.493 ( -5.987 5.185 5.608) 9.704 2.570 ( -0.647 -5.758 -4.239) 7.179 2.631 ( -2.628 0.806 1.656) 3.209 2.728 ( -1.562 -0.593 5.851) 6.085 2.741 ( -4.294 3.554 6.013) 8.199 2.930 ( 2.234 -1.372 4.831) 5.497 3.013 ( 2.609 -1.822 -2.698) 4.172 3.056 ( 2.104 0.040 -7.563) 7.850 3.201 ( 1.363 -4.165 -1.576) 4.657 3.217 ( 4.940 -4.716 5.294) 8.642 3.433 ( 1.234 -0.346 -3.655) 3.873 3.462 ( 3.122 1.832 -1.674) 3.988 3.600 ( 3.768 0.679 -3.182) 4.978 4.261 ( -1.331 1.853 -1.131) 2.547 4.477 ( -6.094 0.993 3.361) 7.030 4.507 ( 0.594 0.101 -0.091) 0.609 4.579 ( -1.413 0.657 2.585) 3.018 4.673 ( -1.639 -1.383 3.573) 4.167 4.706 ( -5.491 -1.890 7.003) 9.098 4.787 ( -3.478 -4.173 -0.480) 5.454 4.849 ( -5.291 1.214 -4.605) 7.119 5.020 ( -2.910 0.047 0.050) 2.911 5.134 ( -3.581 -0.836 -1.191) 3.865 5.209 ( -4.518 3.441 -1.528) 5.881 5.258 ( -2.113 -0.548 0.234) 2.195 5.418 ( 0.962 -2.541 -4.721) 5.447 5.468 ( -0.130 -0.755 2.148) 2.281 5.521 ( -5.801 3.378 -0.018) 6.713 5.600 ( 2.171 2.911 -2.017) 4.154 5.811 ( 1.330 -7.497 -2.607) 8.048 5.893 ( 1.324 -8.946 -0.975) 9.096 6.015 ( 2.968 -2.047 1.136) 3.780 6.293 ( -7.466 -4.026 -0.573) 8.502 6.354 ( 6.435 -0.725 -0.052) 6.476 6.418 ( 1.321 5.754 -3.161) 6.697 6.497 ( 2.238 1.269 4.302) 5.013 6.596 ( 0.562 -0.343 0.436) 0.790 6.728 ( 3.865 0.755 -5.872) 7.070 6.785 ( 7.993 0.286 6.182) 10.108 6.941 ( 2.255 3.568 -4.100) 5.885 7.042 ( 1.392 4.599 10.636) 11.671 7.249 ( -1.359 -0.868 2.756) 3.193 7.395 ( -3.120 -4.255 -1.376) 5.453 7.498 ( 2.763 7.923 -1.088) 8.461 7.839 ( -2.734 11.276 1.011) 11.647 8.025 ( -7.752 6.148 0.889) 9.934 8.302 ( -1.846 3.288 2.958) 4.792 8.372 ( -0.804 2.405 3.094) 4.000 8.567 ( 2.626 -2.126 -6.113) 6.984 8.756 ( -6.283 -2.317 -5.211) 8.485 9.046 ( 6.670 -0.557 -0.941) 6.759 9.323 ( 1.419 4.473 1.986) 5.096 9.778 ( 3.540 -7.911 -1.719) 8.836 9.981 ( 2.269 0.745 -3.659) 4.369 10.037 ( 0.632 -1.308 -2.648) 3.020 10.167 ( 2.805 2.465 -5.591) 6.723 10.486 ( 0.661 3.871 -3.496) 5.258 10.592 ( -2.635 -5.999 4.372) 7.876 10.771 ( -2.342 -0.583 5.976) 6.445 10.924 ( -0.757 -2.413 1.993) 3.220 11.324 ( 2.619 -4.514 3.026) 6.033 21.333 ( -2.990 0.443 1.838) 3.538 21.506 ( -1.128 -2.036 1.370) 2.701 21.610 ( 0.052 -0.638 0.321) 0.717 21.670 ( 0.376 -1.484 -1.101) 1.886 22.654 ( -0.938 0.730 -0.494) 1.287 22.739 ( -0.624 0.515 0.702) 1.071 22.860 ( -0.015 0.115 -0.234) 0.261 22.897 ( -0.158 -0.921 -0.015) 0.935 23.472 ( 0.461 3.827 1.084) 4.004 23.630 ( 1.986 2.089 -3.318) 4.395 23.793 ( -1.072 -1.006 2.686) 3.062 24.070 ( 2.241 -2.542 -0.605) 3.443 26.730 ( -1.976 -0.239 1.745) 2.647 26.874 ( -1.255 -3.873 -0.345) 4.086 27.006 ( -0.294 1.159 -0.962) 1.535 27.041 ( -0.318 2.206 0.614) 2.312 29.662 ( -1.823 0.738 -2.376) 3.085 29.710 ( -2.123 2.039 0.390) 2.969 29.928 ( -3.387 -2.467 -3.844) 5.687 30.027 ( -1.865 -2.489 4.049) 5.106 31.969 ( 0.095 2.569 -0.335) 2.593 32.011 ( 0.524 4.085 0.264) 4.127 32.364 ( -1.626 -3.162 -0.745) 3.633 32.468 ( -0.534 -2.810 0.535) 2.910 33.518 ( -0.249 0.729 0.423) 0.878 33.590 ( 0.534 2.702 0.231) 2.764 33.712 ( 0.266 -1.588 0.576) 1.711 33.882 ( 1.675 -2.130 -0.322) 2.728 35.328 ( 0.106 -0.216 0.664) 0.706 35.357 ( -0.464 -0.333 0.211) 0.609 35.403 ( -0.412 1.648 0.312) 1.727 35.466 ( 0.388 0.826 -0.338) 0.973 89.073 ( 2.141 -0.001 1.652) 2.704 89.155 ( 0.446 -1.220 2.372) 2.704 89.360 ( 3.946 0.991 -1.828) 4.460 89.673 ( 3.183 -3.601 2.392) 5.369 92.216 ( -0.695 2.296 0.489) 2.448 92.431 ( 0.276 -2.082 1.033) 2.341 92.535 ( 0.945 2.524 -0.199) 2.703 92.790 ( -3.179 -2.838 3.106) 5.273 97.866 ( -0.135 0.406 -1.205) 1.278 97.895 ( -0.564 1.661 -0.000) 1.755 97.915 ( -2.864 0.795 -1.373) 3.274 98.423 ( 0.255 -5.676 -0.699) 5.725 103.693 ( -0.161 -0.267 -0.457) 0.553 103.723 ( 0.379 -0.489 0.963) 1.145 103.786 ( -0.477 1.724 -0.594) 1.885 103.827 ( -0.054 1.576 -0.166) 1.586 ======================= Grid point 76 (34/112) ======================= q-point: ( 0.44 0.17 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 1.615 -4.174 -0.789) 4.544 1.240 ( 1.990 5.120 8.127) 9.809 1.419 ( 3.270 -0.499 -4.843) 5.865 1.551 ( 2.222 -2.747 -8.315) 9.035 1.708 ( -2.312 3.103 -3.777) 5.407 1.843 ( 1.440 -3.596 8.792) 9.607 2.022 ( 1.110 -0.231 -1.521) 1.897 2.033 ( -0.015 0.015 -5.699) 5.699 2.206 ( -1.767 -2.337 4.341) 5.237 2.252 ( -3.401 -0.234 -4.275) 5.468 2.295 ( -2.900 0.613 0.850) 3.084 2.440 ( -5.679 4.468 1.112) 7.311 2.516 ( 1.655 -5.058 -6.447) 8.359 2.586 ( -1.584 -0.013 -3.461) 3.806 2.720 ( -1.099 -2.018 -0.404) 2.333 2.749 ( -7.462 1.664 7.604) 10.783 2.891 ( -1.322 -0.998 -7.192) 7.380 3.087 ( 1.927 0.998 3.564) 4.173 3.115 ( 4.323 -3.469 6.829) 8.795 3.227 ( 3.716 -4.114 -0.518) 5.568 3.292 ( -2.306 -3.269 0.644) 4.052 3.447 ( 3.177 -2.092 1.480) 4.082 3.478 ( 0.839 1.698 -1.046) 2.163 3.642 ( 4.825 0.843 -1.621) 5.159 4.236 ( 0.249 1.902 -1.505) 2.438 4.434 ( -3.577 0.593 4.014) 5.409 4.522 ( -3.730 -0.432 5.501) 6.660 4.576 ( -2.165 -0.593 2.943) 3.701 4.648 ( -4.302 -1.306 -2.956) 5.381 4.667 ( -0.051 -1.641 -0.550) 1.732 4.722 ( -1.636 -2.568 -0.442) 3.077 4.849 ( 2.364 1.543 4.560) 5.363 4.987 ( -1.861 -1.261 5.064) 5.540 5.117 ( -0.234 2.047 0.654) 2.162 5.160 ( -0.647 2.353 0.370) 2.468 5.231 ( -0.552 2.465 0.777) 2.642 5.379 ( 2.407 -2.790 -6.079) 7.109 5.438 ( -3.593 1.727 0.200) 3.991 5.501 ( 1.434 2.688 0.105) 3.048 5.616 ( 1.236 0.684 -0.956) 1.706 5.802 ( 1.491 -8.421 -2.493) 8.908 5.919 ( 0.950 -9.747 1.599) 9.923 6.073 ( 3.226 -4.088 0.058) 5.208 6.181 ( -6.532 -3.673 1.117) 7.577 6.341 ( -0.258 -3.746 -5.268) 6.469 6.494 ( 4.911 7.724 0.038) 9.153 6.538 ( -2.005 3.681 1.647) 4.504 6.553 ( -0.629 -0.063 -5.015) 5.055 6.720 ( 2.267 2.226 -5.040) 5.958 6.954 ( 1.537 -2.193 6.962) 7.460 6.962 ( 3.070 3.963 -1.379) 5.200 7.124 ( -4.121 3.484 9.851) 11.232 7.238 ( -2.125 0.569 -0.341) 2.226 7.367 ( 0.936 -2.988 -0.274) 3.144 7.552 ( 2.462 7.118 4.014) 8.534 7.862 ( 0.588 11.939 3.237) 12.385 7.938 ( -4.711 4.503 4.614) 7.985 8.283 ( -3.667 4.399 2.840) 6.392 8.357 ( -2.603 1.500 -0.067) 3.005 8.569 ( 4.081 -2.400 -4.607) 6.606 8.680 ( 1.608 1.660 -0.328) 2.334 9.121 ( 4.435 -1.569 -2.596) 5.373 9.355 ( -0.875 2.770 2.787) 4.026 9.800 ( 1.543 -6.705 -1.931) 7.146 9.933 ( -2.772 1.307 -0.421) 3.094 10.074 ( 7.466 0.475 -6.165) 9.694 10.148 ( 4.523 2.117 -8.953) 10.252 10.441 ( -0.819 1.947 -4.463) 4.937 10.598 ( -3.623 -4.888 6.766) 9.100 10.775 ( -3.828 0.738 4.346) 5.838 10.917 ( -0.628 -5.238 -1.230) 5.417 11.346 ( -1.004 -5.324 -2.011) 5.779 21.311 ( -1.878 0.836 1.339) 2.453 21.503 ( -0.960 -2.073 1.250) 2.604 21.600 ( -0.396 -0.439 -1.566) 1.674 21.666 ( 0.677 -1.388 -1.159) 1.931 22.647 ( 0.073 0.616 0.503) 0.799 22.731 ( -0.693 0.418 -0.078) 0.813 22.862 ( 0.153 0.114 0.250) 0.314 22.894 ( -0.108 -1.049 -0.064) 1.057 23.484 ( -0.290 3.883 0.845) 3.984 23.627 ( 1.874 2.425 -2.950) 4.254 23.810 ( -1.045 -1.190 3.475) 3.819 24.087 ( 0.987 -2.686 -1.248) 3.122 26.721 ( -1.396 -0.398 1.698) 2.234 26.857 ( -0.245 -3.749 -0.305) 3.770 26.994 ( 0.298 1.309 -0.963) 1.652 27.034 ( -0.741 2.152 -0.468) 2.323 29.632 ( 0.405 0.615 -0.964) 1.213 29.683 ( -1.098 2.707 -0.421) 2.952 29.881 ( 0.878 -2.360 -0.829) 2.651 30.014 ( -3.023 -2.483 0.816) 3.997 31.969 ( 0.240 2.384 -0.227) 2.407 32.014 ( -0.026 3.913 -0.412) 3.935 32.348 ( -0.099 -3.121 0.464) 3.157 32.460 ( -0.576 -2.743 -0.216) 2.811 33.521 ( -0.184 0.742 0.735) 1.061 33.596 ( 0.045 2.871 -0.042) 2.872 33.723 ( -0.036 -1.744 0.983) 2.003 33.893 ( 0.638 -2.173 -1.036) 2.490 35.333 ( -0.030 -0.726 0.232) 0.763 35.353 ( -0.605 -0.705 0.327) 0.985 35.402 ( -0.199 2.131 0.487) 2.194 35.468 ( 0.340 0.869 -0.320) 0.986 89.117 ( 0.298 -0.357 2.420) 2.464 89.193 ( 0.009 -1.683 4.248) 4.570 89.393 ( 2.407 1.248 -1.682) 3.190 89.714 ( -0.620 -3.658 1.114) 3.873 92.219 ( -0.297 2.296 1.506) 2.762 92.431 ( -1.134 -1.427 0.741) 1.967 92.552 ( 2.050 1.269 -2.355) 3.371 92.740 ( -4.121 -1.974 -0.644) 4.615 97.850 ( 0.435 0.400 -0.948) 1.117 97.881 ( 0.307 0.036 1.037) 1.082 97.908 ( -0.213 2.598 0.400) 2.637 98.404 ( -0.172 -4.913 -2.964) 5.740 103.691 ( 0.221 -0.323 -0.019) 0.392 103.729 ( -0.461 -0.906 0.045) 1.017 103.781 ( 0.240 1.968 0.273) 2.001 103.825 ( 0.007 1.364 -0.090) 1.367 ======================= Grid point 77 (35/112) ======================= q-point: (-0.44 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -6.471 -5.190 -1.022) 8.358 1.300 ( -8.012 7.192 8.304) 13.597 1.446 ( 8.740 -5.552 -2.668) 10.693 1.596 ( 9.215 1.369 -2.478) 9.640 1.631 ( -0.989 1.601 -4.864) 5.215 1.882 ( 1.265 0.324 -7.720) 7.829 2.006 ( 1.031 -1.430 4.059) 4.425 2.095 ( 2.006 1.215 -0.282) 2.362 2.158 ( 1.981 -1.162 -2.591) 3.462 2.210 ( -1.155 -0.329 0.304) 1.239 2.292 ( -1.214 0.566 1.649) 2.125 2.327 ( -5.497 3.778 -3.121) 7.364 2.479 ( 1.098 -4.462 -4.950) 6.754 2.509 ( -1.339 -0.877 -5.615) 5.839 2.673 ( -4.687 -1.700 2.982) 5.809 2.723 ( -1.116 -0.472 1.176) 1.689 2.824 ( -0.124 -0.275 -2.688) 2.705 3.129 ( -0.743 -0.385 0.976) 1.286 3.177 ( -4.643 -6.784 1.404) 8.339 3.231 ( 0.073 -4.742 -0.033) 4.743 3.322 ( 2.636 -1.364 5.134) 5.930 3.465 ( 0.691 1.155 -1.199) 1.803 3.518 ( 0.924 1.106 2.387) 2.789 3.708 ( 2.928 1.090 1.215) 3.352 4.241 ( 1.197 1.308 0.266) 1.793 4.429 ( -0.071 0.986 -0.898) 1.335 4.516 ( -3.819 -0.155 6.457) 7.504 4.566 ( -2.036 -0.614 0.092) 2.129 4.587 ( -0.236 0.738 1.380) 1.583 4.674 ( -0.538 -0.996 2.129) 2.411 4.744 ( 2.781 -2.992 2.115) 4.600 4.943 ( 2.510 -2.347 4.257) 5.471 5.036 ( -0.912 -3.905 1.572) 4.307 5.116 ( 1.871 -0.584 -0.226) 1.973 5.184 ( 3.193 -1.490 1.270) 3.745 5.308 ( 4.498 5.667 5.129) 8.868 5.324 ( -1.053 -0.304 -4.534) 4.665 5.431 ( 1.989 4.062 0.840) 4.600 5.551 ( 5.418 2.472 -0.481) 5.975 5.615 ( -0.190 0.190 0.047) 0.272 5.809 ( 2.718 -6.537 -2.817) 7.619 5.936 ( -2.071 -9.288 2.636) 9.874 6.080 ( -2.720 -2.073 -2.004) 3.964 6.142 ( 1.126 -1.678 1.343) 2.426 6.279 ( 1.158 -3.798 -6.635) 7.732 6.411 ( -2.072 -2.013 -11.450) 11.809 6.538 ( -0.874 1.126 2.359) 2.756 6.551 ( -1.779 7.753 1.143) 8.036 6.699 ( -0.324 2.710 -0.007) 2.729 6.882 ( -5.533 5.020 -2.864) 8.001 7.074 ( 1.400 1.196 5.473) 5.775 7.141 ( -3.456 3.549 5.679) 7.536 7.216 ( -1.179 -3.912 2.624) 4.856 7.406 ( 2.569 -2.293 2.174) 4.072 7.640 ( -1.568 6.428 9.242) 11.366 7.839 ( -2.674 13.768 -0.044) 14.026 8.020 ( 2.514 1.113 7.148) 7.659 8.257 ( -1.434 3.871 0.431) 4.150 8.326 ( -0.220 1.720 -0.775) 1.899 8.586 ( 4.225 -0.066 -3.688) 5.609 8.784 ( 6.701 2.177 4.600) 8.414 9.116 ( -1.092 -1.500 -3.527) 3.985 9.350 ( -3.652 2.130 3.052) 5.214 9.780 ( -0.677 -6.882 -3.113) 7.583 9.915 ( 1.774 1.127 -1.240) 2.440 10.091 ( -0.114 1.494 -3.149) 3.487 10.144 ( 10.730 2.642 -13.661) 17.571 10.375 ( -1.338 1.118 -4.212) 4.559 10.621 ( -2.471 -2.279 6.080) 6.947 10.758 ( -4.331 -2.281 5.964) 7.716 10.881 ( -1.068 -5.191 -2.652) 5.927 11.251 ( -4.693 -5.252 -6.208) 9.389 21.300 ( -1.253 1.075 1.204) 2.044 21.503 ( -0.760 -2.001 1.236) 2.471 21.570 ( -0.161 -0.043 -2.796) 2.800 21.665 ( 0.764 -1.489 -1.238) 2.082 22.666 ( 1.037 0.101 1.370) 1.721 22.717 ( -0.494 0.558 -0.728) 1.042 22.869 ( 0.134 0.050 0.481) 0.502 22.893 ( 0.213 -0.904 -0.092) 0.933 23.481 ( -1.134 4.130 0.639) 4.331 23.627 ( 1.807 2.610 -2.609) 4.109 23.831 ( -1.570 -1.499 4.072) 4.614 24.075 ( -0.368 -2.587 -1.841) 3.196 26.723 ( -0.727 -0.282 1.841) 1.999 26.859 ( 0.607 -3.750 -0.277) 3.809 26.997 ( 0.959 1.160 -0.718) 1.668 27.012 ( -0.084 2.377 -1.365) 2.743 29.647 ( 1.450 0.889 -0.538) 1.784 29.673 ( 1.463 2.134 -0.786) 2.704 29.931 ( 2.363 -2.944 0.801) 3.859 29.959 ( -0.655 -1.906 -0.951) 2.229 31.972 ( 0.261 2.600 0.012) 2.613 32.002 ( -0.539 3.893 -0.949) 4.043 32.369 ( 1.318 -3.258 1.435) 3.796 32.446 ( -0.357 -2.699 -0.930) 2.877 33.529 ( -0.036 0.715 1.136) 1.343 33.591 ( -0.283 2.760 -0.291) 2.790 33.730 ( -0.663 -1.745 1.391) 2.328 33.880 ( -0.397 -2.114 -1.613) 2.688 35.330 ( -0.814 -0.632 0.244) 1.059 35.346 ( -0.163 -0.542 -0.047) 0.568 35.408 ( 0.050 2.235 0.749) 2.358 35.471 ( 0.447 0.749 -0.242) 0.905 89.130 ( -1.565 -0.349 2.129) 2.665 89.249 ( -1.118 -3.384 7.396) 8.210 89.403 ( 0.413 1.606 -0.308) 1.686 89.677 ( -3.656 -3.046 -1.349) 4.946 92.238 ( -0.146 2.086 2.565) 3.309 92.418 ( -1.234 -0.783 0.662) 1.604 92.531 ( -0.886 1.249 -3.464) 3.787 92.670 ( -1.072 -1.099 -3.637) 3.948 97.865 ( 1.460 0.594 0.104) 1.579 97.885 ( -0.680 1.969 -0.780) 2.225 97.948 ( 2.738 0.011 4.216) 5.027 98.354 ( -0.309 -4.941 -5.758) 7.594 103.699 ( 0.493 -0.383 0.382) 0.732 103.714 ( -0.856 -0.388 -0.509) 1.069 103.795 ( 0.628 1.461 0.716) 1.744 103.826 ( 0.237 1.528 -0.122) 1.551 ======================= Grid point 78 (36/112) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -13.343 -1.634 -2.175) 13.617 1.162 ( -16.019 7.965 2.283) 18.035 1.547 ( -6.391 1.795 -4.974) 8.295 1.568 ( 5.405 -6.702 -0.987) 8.667 1.721 ( 8.820 0.263 -2.980) 9.314 1.870 ( 3.701 1.811 2.015) 4.587 1.983 ( -0.563 6.562 -4.622) 8.046 2.110 ( 1.877 0.467 -6.435) 6.719 2.171 ( 2.660 -0.440 2.784) 3.876 2.191 ( -0.143 1.216 -6.265) 6.384 2.287 ( 1.244 -4.034 4.094) 5.881 2.331 ( 2.918 -3.375 2.984) 5.367 2.436 ( -1.597 1.258 0.347) 2.062 2.479 ( 4.653 -1.118 -5.499) 7.289 2.669 ( -0.330 -1.083 2.973) 3.181 2.734 ( 1.785 -1.967 -0.469) 2.697 2.815 ( 1.060 -0.231 -0.971) 1.456 3.046 ( -6.514 -4.361 0.699) 7.870 3.163 ( -2.263 -3.932 2.662) 5.259 3.216 ( -2.282 -2.834 -0.105) 3.640 3.364 ( -0.389 -3.734 -0.649) 3.810 3.489 ( 0.787 0.487 1.784) 2.009 3.540 ( 0.746 3.424 0.338) 3.520 3.739 ( -1.419 1.137 1.910) 2.637 4.280 ( 1.806 0.082 2.382) 2.990 4.409 ( 2.163 1.770 -5.231) 5.931 4.528 ( -2.421 -2.206 0.454) 3.307 4.562 ( 0.114 1.533 5.704) 5.908 4.617 ( 0.034 2.013 1.492) 2.506 4.703 ( 0.001 -2.205 6.463) 6.829 4.841 ( 3.898 -2.206 4.955) 6.679 4.924 ( -4.476 -2.066 -2.792) 5.666 5.057 ( 1.828 -6.188 1.527) 6.631 5.140 ( 3.423 -3.487 -4.354) 6.544 5.269 ( 3.813 -2.652 -3.341) 5.721 5.315 ( 4.017 -2.546 3.222) 5.744 5.395 ( 0.289 0.963 4.521) 4.632 5.538 ( 7.136 5.871 0.815) 9.276 5.628 ( 2.049 2.590 0.579) 3.353 5.649 ( 4.602 4.139 3.186) 6.961 5.807 ( 1.238 -1.438 -4.995) 5.343 5.918 ( -3.859 -7.229 3.906) 9.078 6.026 ( -0.470 0.568 -0.658) 0.988 6.139 ( -0.088 0.332 -6.487) 6.496 6.235 ( 1.727 -3.949 -9.083) 10.054 6.290 ( 2.542 -2.865 -5.732) 6.894 6.452 ( -7.573 0.927 -1.160) 7.717 6.599 ( 2.557 1.036 4.899) 5.622 6.727 ( -1.870 4.322 4.886) 6.786 6.774 ( -4.345 8.096 1.199) 9.266 7.091 ( -2.599 2.497 2.595) 4.442 7.199 ( 1.817 3.066 5.226) 6.326 7.225 ( -1.292 -7.276 1.269) 7.498 7.495 ( 3.440 -2.675 5.106) 6.713 7.682 ( -6.921 4.398 11.588) 14.196 7.806 ( -0.193 12.377 -1.969) 12.534 8.097 ( 0.546 -1.089 1.456) 1.898 8.250 ( 0.932 3.233 -1.287) 3.602 8.351 ( 2.493 3.493 2.330) 4.883 8.627 ( 5.428 4.143 -3.176) 7.531 8.912 ( -0.559 -2.061 0.367) 2.167 9.053 ( 0.898 1.637 0.505) 1.934 9.305 ( -4.945 2.597 1.700) 5.838 9.712 ( -2.756 -7.685 -4.545) 9.344 9.948 ( 3.922 -0.534 -2.723) 4.804 10.045 ( 0.896 1.733 -4.625) 5.020 10.155 ( 7.068 5.743 -11.847) 14.943 10.315 ( -0.172 0.647 -3.946) 4.003 10.634 ( -2.621 -0.269 3.711) 4.551 10.784 ( -4.590 -6.383 10.015) 12.732 10.838 ( -0.789 -3.709 -0.217) 3.798 11.091 ( -5.332 -4.876 -6.872) 9.972 21.296 ( -1.237 1.292 1.749) 2.501 21.506 ( -0.510 -1.830 1.326) 2.316 21.540 ( 0.361 0.197 -2.825) 2.854 21.663 ( 0.724 -1.601 -1.342) 2.210 22.696 ( 0.220 0.350 -0.086) 0.422 22.711 ( 1.335 -0.231 0.786) 1.567 22.874 ( -0.059 -0.429 0.185) 0.471 22.900 ( 0.610 -0.117 0.213) 0.656 23.465 ( -1.443 4.573 0.630) 4.836 23.629 ( 1.900 2.573 -2.471) 4.042 23.843 ( -2.491 -1.800 4.143) 5.158 24.040 ( -1.173 -2.231 -2.112) 3.289 26.737 ( -0.258 -0.229 2.307) 2.333 26.858 ( -0.288 -3.088 -0.834) 3.212 26.997 ( 1.400 1.943 -1.389) 2.768 27.030 ( 2.282 1.035 0.205) 2.514 29.640 ( 0.796 -0.417 -3.401) 3.518 29.725 ( 3.997 2.606 0.585) 4.807 29.866 ( -2.942 -2.539 -3.163) 5.011 30.077 ( 7.756 -2.450 3.033) 8.681 31.974 ( -0.275 3.860 -0.386) 3.889 31.984 ( -0.127 3.305 -0.379) 3.329 32.410 ( 1.166 -3.472 0.902) 3.772 32.431 ( 0.362 -2.625 -0.798) 2.768 33.544 ( 0.087 0.549 1.543) 1.641 33.585 ( -0.127 2.262 -0.055) 2.266 33.732 ( -1.238 -1.681 1.683) 2.682 33.848 ( -1.228 -1.969 -1.878) 2.985 35.313 ( -1.362 0.246 0.077) 1.386 35.350 ( 0.606 -0.439 -0.061) 0.751 35.421 ( 0.413 2.177 1.053) 2.453 35.477 ( 0.398 0.709 0.151) 0.827 89.118 ( -2.598 -0.257 1.964) 3.267 89.299 ( -2.294 -5.101 6.050) 8.239 89.418 ( -2.167 -0.228 6.895) 7.231 89.579 ( -4.806 -2.093 -3.608) 6.363 92.265 ( -0.391 1.717 3.163) 3.620 92.412 ( -1.065 -0.268 1.894) 2.189 92.468 ( -1.538 3.186 -2.957) 4.611 92.630 ( 1.067 -1.105 -4.180) 4.453 97.857 ( -1.164 1.540 -1.247) 2.298 97.892 ( 1.373 1.082 0.376) 1.788 98.058 ( 3.749 -0.978 5.151) 6.446 98.269 ( -0.356 -5.302 -8.995) 10.447 103.693 ( -0.824 0.059 -0.487) 0.959 103.717 ( 0.746 -0.455 0.656) 1.092 103.810 ( 0.468 1.329 0.394) 1.463 103.834 ( 0.986 2.115 0.014) 2.333 ======================= Grid point 79 (37/112) ======================= q-point: (-0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -14.902 3.866 1.612) 15.480 0.856 ( -17.109 9.117 -8.889) 21.327 1.292 ( -24.902 11.895 9.786) 29.281 1.606 ( 1.913 -7.901 -0.642) 8.154 1.798 ( 5.036 -0.397 -3.356) 6.065 1.956 ( 1.605 7.128 -2.225) 7.638 1.988 ( 6.285 -4.406 0.194) 7.678 2.135 ( 8.557 0.093 -5.082) 9.953 2.143 ( 3.130 0.941 -6.100) 6.921 2.221 ( -1.090 -4.412 2.960) 5.424 2.333 ( 2.424 -0.759 2.675) 3.688 2.413 ( 1.552 0.022 -4.011) 4.301 2.453 ( 3.941 -2.608 1.775) 5.048 2.552 ( 7.260 4.165 2.746) 8.809 2.703 ( 1.637 -1.061 0.890) 2.145 2.765 ( 2.337 -2.560 0.331) 3.482 2.843 ( 2.091 -0.144 1.884) 2.818 2.970 ( -5.379 -4.206 1.861) 7.077 3.143 ( -2.054 -3.286 1.165) 4.046 3.161 ( -4.375 -0.260 0.226) 4.388 3.322 ( -3.178 -5.263 -1.569) 6.345 3.503 ( 0.449 0.359 -0.336) 0.666 3.550 ( 1.099 3.056 -2.020) 3.825 3.708 ( -4.203 0.126 1.137) 4.355 4.312 ( 0.144 -0.973 -2.210) 2.419 4.422 ( 3.747 2.847 1.416) 4.914 4.498 ( 0.005 -2.614 -0.419) 2.647 4.594 ( -1.659 1.160 -0.719) 2.148 4.650 ( 2.024 0.983 4.876) 5.370 4.815 ( 1.158 -3.596 4.950) 6.227 4.866 ( 0.398 -1.333 6.324) 6.475 4.936 ( 0.607 -0.769 3.726) 3.853 5.075 ( 1.673 -4.100 -2.663) 5.167 5.134 ( 1.149 -3.421 -0.477) 3.640 5.321 ( 4.524 -4.942 -2.220) 7.058 5.376 ( 1.338 -6.637 -0.364) 6.780 5.433 ( 0.699 0.609 1.056) 1.405 5.593 ( 0.592 1.713 -0.336) 1.843 5.702 ( 4.144 3.635 1.914) 5.835 5.710 ( -0.176 3.841 -3.220) 5.015 5.770 ( 0.978 0.880 -3.961) 4.174 5.908 ( -0.578 -1.302 0.561) 1.531 5.990 ( -2.187 -0.032 -4.760) 5.238 6.106 ( 5.237 0.028 -1.714) 5.510 6.177 ( 0.062 -0.249 -2.228) 2.243 6.298 ( -4.835 3.354 0.187) 5.887 6.345 ( 3.013 -5.482 -3.716) 7.276 6.667 ( -3.633 5.806 -0.127) 6.850 6.735 ( 5.194 2.140 5.456) 7.831 6.810 ( -1.002 4.964 5.392) 7.398 7.078 ( -2.480 3.093 2.703) 4.798 7.182 ( -2.507 -6.583 -2.877) 7.609 7.290 ( 3.824 2.391 2.391) 5.105 7.608 ( 0.088 -5.708 8.540) 10.272 7.684 ( -6.880 1.409 9.718) 11.990 7.787 ( 3.339 10.042 -5.217) 11.799 8.092 ( -0.953 -3.096 0.282) 3.252 8.250 ( 0.272 -0.044 -1.038) 1.074 8.427 ( 2.965 6.200 1.941) 7.141 8.702 ( 4.838 5.101 -1.785) 7.253 8.771 ( -6.736 4.034 -2.509) 8.243 9.133 ( -0.122 -2.069 3.196) 3.809 9.241 ( -0.732 3.237 -4.719) 5.769 9.604 ( -4.090 -6.491 -4.104) 8.701 9.946 ( 2.374 -0.607 -4.972) 5.543 10.049 ( 1.252 2.914 -1.041) 3.338 10.133 ( 6.746 7.104 -9.085) 13.362 10.297 ( 2.539 0.111 -3.291) 4.158 10.605 ( -6.911 -4.292 3.892) 9.019 10.754 ( -2.781 0.955 -0.113) 2.942 10.914 ( -2.813 -8.348 13.245) 15.907 10.979 ( -0.596 -4.462 -2.017) 4.933 21.305 ( -1.555 1.119 4.750) 5.122 21.514 ( -0.475 -1.683 1.438) 2.264 21.524 ( 0.917 0.263 -2.156) 2.358 21.660 ( 0.711 -1.656 -1.250) 2.193 22.694 ( 0.822 1.490 -0.733) 1.854 22.753 ( 1.682 -1.724 1.274) 2.725 22.870 ( -0.384 -0.651 -0.267) 0.802 22.914 ( 0.442 0.334 0.374) 0.668 23.455 ( -0.406 5.226 0.644) 5.281 23.634 ( 2.157 2.297 -2.740) 4.176 23.839 ( -3.386 -1.844 3.840) 5.442 23.998 ( -1.103 -1.774 -1.976) 2.876 26.764 ( -0.178 -0.931 3.452) 3.580 26.838 ( -0.941 -1.883 -0.387) 2.141 27.016 ( 2.548 1.371 -1.443) 3.234 27.075 ( 2.394 0.688 0.771) 2.607 29.596 ( -0.454 -1.774 -5.502) 5.799 29.787 ( 0.489 -0.100 -0.203) 0.539 29.805 ( 1.474 1.197 -1.694) 2.545 30.233 ( 7.406 -2.711 2.116) 8.166 31.960 ( -0.050 4.458 -0.760) 4.522 31.989 ( 0.253 3.642 0.385) 3.671 32.397 ( -0.551 -2.810 -1.382) 3.180 32.465 ( 1.747 -3.385 1.220) 4.000 33.563 ( 0.139 0.235 1.676) 1.698 33.587 ( -0.070 1.008 0.531) 1.141 33.728 ( -1.527 -1.545 1.719) 2.770 33.805 ( -1.492 -1.763 -1.715) 2.876 35.293 ( -1.144 0.941 0.200) 1.494 35.364 ( 1.448 0.164 -0.315) 1.491 35.439 ( 0.640 1.671 0.254) 1.808 35.495 ( 0.910 1.169 2.072) 2.547 89.093 ( -2.871 -0.273 1.810) 3.405 89.305 ( -1.833 -3.969 2.239) 4.912 89.454 ( -5.438 -3.079 -0.475) 6.267 89.481 ( -5.956 -7.983 11.361) 15.109 92.287 ( -0.830 1.451 2.520) 3.024 92.394 ( -0.412 1.920 -3.135) 3.699 92.493 ( 1.503 3.110 9.714) 10.310 92.611 ( 1.312 -1.146 -2.803) 3.300 97.826 ( -0.977 0.888 -1.010) 1.662 97.913 ( 0.838 1.232 -0.117) 1.495 98.089 ( -3.021 -4.783 -7.546) 9.431 98.212 ( 3.829 -1.425 -0.370) 4.103 103.677 ( -0.510 0.433 -0.267) 0.721 103.737 ( 0.809 -0.616 0.719) 1.245 103.819 ( 0.478 1.857 -0.057) 1.919 103.860 ( 2.443 3.024 -0.255) 3.896 ======================= Grid point 80 (38/112) ======================= q-point: (-0.11 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -9.971 12.108 8.319) 17.755 0.496 ( -12.907 14.423 -4.148) 19.794 1.061 ( -24.627 18.402 23.729) 38.835 1.625 ( -0.043 -9.254 0.738) 9.284 1.835 ( 4.760 1.185 -2.982) 5.741 1.960 ( 1.210 5.691 -1.677) 6.055 2.065 ( 3.633 -8.852 -1.285) 9.654 2.154 ( 3.842 0.192 -3.807) 5.412 2.190 ( 4.454 -3.440 -2.066) 5.995 2.246 ( -0.026 -3.281 -0.760) 3.368 2.332 ( 0.313 0.681 -5.043) 5.098 2.431 ( 4.117 3.388 3.529) 6.394 2.567 ( 3.741 -1.139 2.791) 4.805 2.689 ( 5.150 1.865 2.135) 5.879 2.739 ( 1.106 2.714 2.022) 3.561 2.820 ( 1.992 -2.209 1.959) 3.562 2.895 ( -2.393 -2.424 0.202) 3.412 2.902 ( 0.007 0.588 0.846) 1.030 3.096 ( -5.937 -1.267 3.925) 7.229 3.142 ( 1.207 -3.713 -0.096) 3.906 3.248 ( -2.589 -4.109 -1.911) 5.219 3.481 ( -0.385 2.870 -4.404) 5.270 3.545 ( 1.547 -0.584 -2.165) 2.724 3.641 ( -3.942 -0.676 -0.862) 4.091 4.275 ( 0.659 0.222 -3.292) 3.364 4.485 ( 4.096 2.375 -3.494) 5.884 4.547 ( -0.788 -1.434 2.248) 2.780 4.589 ( 3.290 -3.614 4.216) 6.454 4.707 ( 0.126 -0.045 3.316) 3.319 4.861 ( 1.708 -0.094 2.068) 2.683 4.937 ( -3.049 0.494 4.561) 5.509 5.038 ( 6.762 -3.408 4.188) 8.653 5.042 ( -2.201 -7.169 -0.456) 7.513 5.238 ( 2.607 -5.649 8.526) 10.555 5.309 ( -0.946 -4.226 -2.495) 4.998 5.388 ( 2.100 -4.953 1.031) 5.478 5.463 ( 2.629 1.217 -0.682) 2.976 5.576 ( -0.382 0.757 -3.575) 3.674 5.600 ( -6.644 1.555 -13.951) 15.530 5.665 ( -0.167 2.453 -0.802) 2.586 5.801 ( 2.056 1.352 3.782) 4.512 5.883 ( 3.021 1.376 -6.663) 7.444 5.942 ( -3.096 -2.923 1.437) 4.494 6.166 ( 0.700 2.733 2.764) 3.950 6.190 ( -4.689 0.857 0.242) 4.773 6.239 ( 3.734 3.521 3.043) 5.966 6.399 ( 6.144 -3.468 -3.497) 7.875 6.606 ( -4.290 4.549 0.827) 6.307 6.800 ( -2.797 6.455 -2.020) 7.319 6.825 ( 2.826 2.297 -5.177) 6.330 7.074 ( -2.326 -4.157 1.683) 5.052 7.132 ( 0.221 3.057 0.783) 3.163 7.342 ( 1.386 0.888 -0.950) 1.900 7.603 ( -6.568 0.309 0.693) 6.611 7.658 ( -4.945 -0.163 1.786) 5.260 7.862 ( 9.109 0.306 -0.429) 9.124 8.103 ( -0.074 -2.482 4.385) 5.039 8.233 ( -3.042 -2.997 1.440) 4.506 8.486 ( 2.028 3.867 1.064) 4.494 8.546 ( -6.314 5.792 -3.661) 9.317 8.888 ( 3.512 5.296 2.463) 6.815 9.104 ( -4.831 0.453 5.620) 7.425 9.170 ( 6.057 1.697 -10.769) 12.472 9.520 ( -1.356 -4.232 -3.674) 5.767 9.974 ( 4.111 1.543 0.363) 4.406 10.038 ( -0.118 4.039 -0.119) 4.042 10.206 ( 9.570 3.497 -4.069) 10.971 10.316 ( 3.832 -0.072 -2.337) 4.489 10.507 ( -9.602 -4.087 4.233) 11.261 10.702 ( -3.353 -1.025 -2.872) 4.532 10.934 ( -4.129 -5.973 7.243) 10.256 11.062 ( 0.117 -5.917 7.641) 9.665 21.369 ( -1.247 -3.181 11.608) 12.100 21.518 ( -0.688 -1.539 1.161) 2.047 21.525 ( 1.257 0.136 -0.910) 1.558 21.660 ( 0.742 -1.687 -0.988) 2.091 22.715 ( 2.618 2.105 -0.563) 3.407 22.782 ( 0.547 -2.055 0.220) 2.138 22.856 ( -0.649 -0.068 -0.463) 0.801 22.912 ( -0.942 0.056 -0.200) 0.965 23.468 ( 1.709 5.020 -1.209) 5.439 23.638 ( 2.384 1.842 -3.327) 4.488 23.823 ( -3.420 -1.349 3.946) 5.394 23.967 ( -0.266 -1.547 -1.497) 2.169 26.797 ( -1.705 -3.097 4.161) 5.460 26.827 ( -0.628 -1.242 0.930) 1.673 27.039 ( 2.244 0.985 -1.592) 2.922 27.113 ( 1.463 0.326 -0.121) 1.504 29.531 ( -0.793 0.246 -0.322) 0.890 29.769 ( -0.357 -2.698 0.757) 2.825 29.845 ( 2.291 4.385 -0.432) 4.966 30.337 ( 4.085 -2.903 -0.817) 5.078 31.961 ( 0.957 4.110 -0.637) 4.267 31.996 ( 0.423 4.537 -0.143) 4.559 32.381 ( -0.038 -2.803 -0.346) 2.824 32.497 ( 0.756 -3.762 0.845) 3.929 33.572 ( -2.418 -1.669 1.762) 3.426 33.589 ( 0.463 1.228 -0.296) 1.346 33.721 ( -1.395 -1.245 1.357) 2.310 33.771 ( -0.615 -1.635 -1.096) 2.062 35.282 ( -0.682 1.370 0.545) 1.625 35.388 ( 2.349 0.688 -0.971) 2.633 35.439 ( -0.012 1.081 -1.031) 1.494 35.551 ( 2.062 -0.092 1.553) 2.583 89.068 ( -2.513 -0.529 1.571) 3.010 89.296 ( -3.631 -5.981 2.896) 7.573 89.352 ( -4.386 -2.734 -2.557) 5.766 89.441 ( -14.483 -14.096 7.593) 21.589 92.293 ( -1.131 1.496 1.414) 2.349 92.359 ( 0.778 2.915 -3.688) 4.765 92.616 ( 1.516 -1.192 -0.397) 1.969 92.705 ( 3.153 -6.478 16.944) 18.412 97.811 ( -0.080 0.613 0.129) 0.631 97.895 ( -1.013 -0.855 -1.630) 2.101 97.958 ( -1.117 2.119 -2.248) 3.285 98.279 ( 2.371 -1.124 1.011) 2.812 103.671 ( -0.116 0.672 0.046) 0.683 103.754 ( 0.385 -1.108 0.374) 1.232 103.825 ( 0.443 2.194 -0.298) 2.258 103.902 ( 4.538 3.971 -3.649) 7.048 ======================= Grid point 81 (39/112) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 1.945 16.311 6.803) 17.780 0.890 ( 3.649 21.357 1.254) 21.703 1.410 ( -1.111 -9.539 5.113) 10.880 1.464 ( -6.116 14.901 15.993) 22.698 1.801 ( 0.244 -14.423 -0.297) 14.428 1.912 ( 3.938 -0.870 -7.095) 8.161 1.993 ( 1.132 0.434 0.281) 1.245 2.089 ( -0.338 -6.617 -2.623) 7.126 2.131 ( 0.277 -1.776 -0.547) 1.879 2.241 ( -0.303 4.539 0.974) 4.652 2.434 ( 1.244 -2.263 2.425) 3.543 2.481 ( -3.345 2.956 2.311) 5.027 2.557 ( -1.154 -3.728 1.043) 4.040 2.707 ( 2.148 0.173 0.656) 2.253 2.790 ( -1.212 -1.048 1.316) 2.074 2.848 ( 0.164 -1.132 -0.680) 1.331 2.932 ( 0.863 -1.722 0.221) 1.939 2.942 ( -0.465 3.483 1.038) 3.664 3.043 ( -4.572 4.027 1.486) 6.271 3.114 ( 2.934 -4.401 0.270) 5.296 3.137 ( -0.006 -0.563 2.614) 2.674 3.423 ( -0.083 -6.316 -2.307) 6.725 3.510 ( 1.723 3.617 -6.058) 7.263 3.592 ( 0.246 -0.202 -2.629) 2.648 4.317 ( 1.553 2.691 1.942) 3.664 4.457 ( -1.024 -1.162 -0.875) 1.778 4.516 ( 0.470 -1.538 1.636) 2.295 4.599 ( 3.131 -3.548 2.370) 5.292 4.740 ( -1.394 -1.137 3.941) 4.332 4.818 ( -4.004 -6.337 4.332) 8.658 4.860 ( -3.107 0.573 0.785) 3.255 4.932 ( -3.772 -2.095 0.413) 4.335 5.080 ( 1.079 -2.417 2.265) 3.484 5.119 ( -2.458 -3.739 3.919) 5.948 5.291 ( 1.878 0.536 0.752) 2.093 5.316 ( -4.027 -0.641 -2.782) 4.936 5.464 ( -0.077 -0.254 -2.433) 2.448 5.544 ( 1.101 0.010 -4.557) 4.688 5.608 ( 4.409 1.194 0.695) 4.620 5.690 ( -1.426 -0.320 0.755) 1.645 5.878 ( 3.516 0.749 -1.629) 3.947 5.922 ( 7.458 -1.767 -0.904) 7.717 5.954 ( 4.132 4.765 -5.828) 8.588 6.115 ( 0.856 -1.765 -3.508) 4.020 6.251 ( -0.477 2.395 1.101) 2.679 6.368 ( -1.197 3.311 3.425) 4.912 6.376 ( 3.850 -3.910 -2.177) 5.903 6.546 ( -2.638 -3.977 0.430) 4.792 6.790 ( -3.896 4.829 -7.211) 9.513 6.897 ( -6.021 4.335 -3.709) 8.294 6.977 ( -3.299 6.098 -6.132) 9.256 7.281 ( -3.639 2.780 4.578) 6.476 7.338 ( 3.069 -2.685 -0.966) 4.191 7.453 ( -4.845 -1.230 -2.044) 5.400 7.675 ( 0.908 2.884 0.284) 3.037 7.857 ( -2.256 -4.832 -2.786) 6.017 8.151 ( 1.618 -0.465 7.586) 7.771 8.204 ( 6.304 -0.842 6.980) 9.443 8.561 ( -1.443 10.025 -5.554) 11.552 8.772 ( 1.100 8.585 2.797) 9.096 8.832 ( -3.176 0.863 -8.900) 9.489 9.110 ( -3.291 -1.871 -2.220) 4.389 9.233 ( 7.783 -2.444 0.580) 8.178 9.379 ( 2.276 -4.418 -4.716) 6.851 10.029 ( -1.719 0.108 0.046) 1.723 10.141 ( -3.146 1.010 4.428) 5.525 10.213 ( 1.660 -3.988 -2.011) 4.764 10.265 ( -0.815 0.072 0.090) 0.823 10.469 ( 2.558 0.862 2.136) 3.442 10.582 ( 3.060 -2.307 -3.296) 5.055 10.959 ( -2.409 1.100 9.036) 9.416 11.040 ( -1.810 -2.637 5.897) 6.708 21.383 ( -2.578 0.204 5.173) 5.783 21.472 ( -1.191 -2.597 1.516) 3.235 21.549 ( 1.207 0.706 -0.279) 1.426 21.618 ( 0.888 -2.299 -0.755) 2.578 22.754 ( 0.196 0.166 -0.361) 0.443 22.763 ( -0.386 -0.139 -0.047) 0.413 22.868 ( 0.313 0.692 -0.080) 0.764 22.892 ( -0.288 -0.284 -0.263) 0.483 23.542 ( -0.138 3.723 -1.145) 3.897 23.661 ( 1.719 -0.374 -3.018) 3.493 23.799 ( -2.134 0.817 2.399) 3.313 23.917 ( 0.972 -2.878 -0.578) 3.092 26.772 ( -1.417 0.324 2.032) 2.498 26.814 ( -0.014 -1.310 1.473) 1.971 27.069 ( 0.649 0.951 -1.228) 1.684 27.103 ( -0.368 -0.471 -1.388) 1.512 29.601 ( 2.101 0.832 4.773) 5.281 29.725 ( 0.949 -3.887 3.715) 5.460 29.971 ( -0.319 6.085 -1.771) 6.345 30.240 ( -1.071 -5.629 -3.827) 6.890 32.066 ( 0.571 5.405 0.475) 5.456 32.116 ( -0.255 6.593 -0.819) 6.649 32.308 ( 0.782 -5.069 1.045) 5.234 32.397 ( -0.600 -5.879 -0.334) 5.919 33.567 ( -1.069 2.325 0.486) 2.605 33.622 ( -0.292 1.690 -0.962) 1.967 33.684 ( -0.503 -1.634 0.747) 1.866 33.726 ( 1.140 -2.330 -0.036) 2.594 35.326 ( -0.012 2.414 0.525) 2.471 35.407 ( 0.955 -0.745 -0.957) 1.544 35.452 ( 0.238 1.144 -0.741) 1.383 35.510 ( -2.010 -1.543 -0.818) 2.663 89.023 ( -3.671 0.407 2.182) 4.290 89.077 ( -4.659 -1.796 4.272) 6.572 89.292 ( 0.803 0.762 -2.758) 2.972 89.354 ( 2.491 -1.894 -1.153) 3.335 92.324 ( -1.217 2.382 0.299) 2.691 92.379 ( 0.156 0.734 -1.386) 1.576 92.617 ( 0.905 -1.373 1.704) 2.368 92.649 ( -2.785 -2.962 3.088) 5.106 97.842 ( 0.911 1.406 1.568) 2.294 97.925 ( 3.253 -2.476 4.503) 6.082 98.018 ( 0.261 3.231 -0.489) 3.278 98.214 ( -1.344 -4.841 -1.056) 5.134 103.693 ( 0.042 1.014 0.314) 1.062 103.732 ( -0.299 -0.873 -0.071) 0.926 103.869 ( -0.011 2.043 -0.712) 2.163 103.927 ( 0.383 -0.070 -3.093) 3.117 ======================= Grid point 82 (40/112) ======================= q-point: ( 0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 4.558 15.515 7.337) 17.757 0.995 ( 4.157 16.156 6.011) 17.732 1.439 ( 0.799 -6.786 -0.334) 6.841 1.598 ( 0.131 5.884 15.339) 16.429 1.789 ( -0.390 -10.753 -3.142) 11.210 1.897 ( 5.977 0.119 -8.381) 10.295 1.960 ( -5.430 -6.840 -4.095) 9.646 2.070 ( 2.245 -7.644 -1.084) 8.040 2.156 ( -1.814 7.639 5.665) 9.682 2.229 ( 0.352 1.570 0.650) 1.735 2.447 ( -4.276 3.922 3.167) 6.611 2.476 ( -0.860 -5.860 2.122) 6.291 2.554 ( -1.303 -1.106 5.600) 5.855 2.721 ( -1.103 0.080 0.006) 1.106 2.767 ( -3.525 -3.197 2.114) 5.207 2.829 ( -3.485 2.126 1.543) 4.365 2.887 ( -6.859 0.683 1.853) 7.138 2.925 ( -1.667 -0.995 0.565) 2.022 3.021 ( 0.697 3.639 0.755) 3.781 3.107 ( -0.104 -5.120 -0.807) 5.185 3.187 ( 0.101 -0.298 0.064) 0.321 3.416 ( 1.724 -4.586 -1.831) 5.231 3.510 ( 7.258 3.565 -8.504) 11.735 3.574 ( 1.793 0.615 -3.652) 4.115 4.366 ( -1.560 2.563 3.740) 4.795 4.434 ( 0.764 0.478 0.492) 1.027 4.554 ( 0.942 1.229 3.252) 3.602 4.664 ( 1.379 -0.434 0.593) 1.562 4.702 ( -6.120 0.477 0.468) 6.156 4.782 ( -5.108 -4.895 5.491) 8.955 4.845 ( -1.115 -3.565 0.088) 3.736 4.859 ( -5.428 -4.160 2.237) 7.195 5.077 ( -4.263 -1.358 1.569) 4.741 5.146 ( -0.758 -3.527 6.010) 7.010 5.266 ( -0.906 -1.675 1.661) 2.527 5.309 ( -1.169 -2.434 0.105) 2.702 5.407 ( -3.843 1.849 -4.669) 6.324 5.526 ( 3.963 0.714 -3.227) 5.160 5.639 ( 2.137 -0.303 -3.527) 4.135 5.679 ( 0.615 -2.794 -2.570) 3.846 5.828 ( -4.530 4.607 -4.922) 8.122 5.974 ( 0.842 3.716 -2.486) 4.550 6.057 ( 10.355 -2.064 -4.032) 11.302 6.139 ( 6.972 1.443 -4.994) 8.697 6.257 ( 1.027 2.924 3.509) 4.682 6.390 ( -0.339 -2.579 1.369) 2.939 6.402 ( -1.786 0.151 5.484) 5.770 6.562 ( 3.378 -6.565 -4.248) 8.518 6.655 ( -2.175 2.565 -3.231) 4.664 6.727 ( -6.289 0.368 -6.177) 8.823 6.898 ( -0.016 8.616 -0.142) 8.617 7.217 ( -4.086 -4.768 -3.264) 7.077 7.308 ( -5.912 5.033 -1.130) 7.846 7.425 ( 1.403 0.233 0.928) 1.698 7.643 ( -3.439 3.752 -0.185) 5.093 7.898 ( 8.247 -7.434 0.496) 11.114 8.251 ( -0.686 7.709 7.526) 10.795 8.353 ( 3.564 2.809 3.977) 6.034 8.461 ( -2.936 7.577 -7.249) 10.890 8.705 ( 0.143 1.896 -8.989) 9.188 8.837 ( 2.048 3.172 3.773) 5.338 9.011 ( -5.933 -4.117 -2.602) 7.676 9.321 ( 4.718 -1.133 -2.604) 5.507 9.419 ( 7.064 -6.371 -2.086) 9.738 9.977 ( -1.809 0.935 -1.742) 2.679 10.114 ( -5.153 -3.047 4.212) 7.320 10.252 ( -0.826 1.799 -0.226) 1.992 10.275 ( 5.965 -3.121 0.336) 6.740 10.557 ( 4.744 0.818 2.262) 5.319 10.613 ( 3.693 -0.433 -2.518) 4.490 10.989 ( -5.700 1.715 7.972) 9.949 11.068 ( -2.434 -2.860 7.696) 8.563 21.386 ( -3.115 0.217 3.847) 4.954 21.467 ( -1.381 -2.568 1.451) 3.257 21.568 ( 1.038 0.324 0.345) 1.140 21.626 ( 0.852 -2.168 -0.553) 2.394 22.736 ( -1.517 0.723 -0.480) 1.748 22.755 ( -0.566 0.333 0.229) 0.696 22.868 ( -0.247 0.110 0.133) 0.302 22.890 ( 0.268 -0.428 -0.598) 0.783 23.534 ( 0.443 4.322 -0.488) 4.372 23.661 ( 2.374 -0.365 -3.213) 4.011 23.789 ( -1.998 1.330 2.145) 3.219 23.935 ( 1.818 -3.461 -0.349) 3.925 26.767 ( -1.852 0.759 1.805) 2.695 26.828 ( -0.602 -1.980 1.652) 2.648 27.060 ( -0.181 0.706 -0.982) 1.223 27.077 ( -0.399 0.218 -1.485) 1.553 29.689 ( 1.474 0.048 4.945) 5.160 29.788 ( 0.753 -2.713 3.779) 4.712 29.926 ( -2.488 3.497 -1.104) 4.431 30.138 ( -4.593 -4.924 -5.701) 8.823 32.081 ( 0.140 5.642 0.459) 5.663 32.099 ( -0.366 6.568 -0.506) 6.598 32.334 ( 0.285 -5.378 1.185) 5.514 32.374 ( -1.076 -5.600 -0.617) 5.735 33.558 ( -0.571 2.224 0.096) 2.298 33.611 ( 0.336 1.379 -0.530) 1.515 33.682 ( -0.357 -0.755 0.300) 0.888 33.756 ( 2.075 -2.644 0.403) 3.385 35.331 ( -0.283 1.973 0.748) 2.129 35.395 ( -0.997 -0.454 -0.784) 1.347 35.455 ( 0.607 0.795 -0.822) 1.295 35.467 ( -1.250 0.005 -0.619) 1.395 89.010 ( -0.320 1.282 1.483) 1.986 89.071 ( -1.079 -1.417 2.730) 3.259 89.299 ( 3.439 1.573 -2.365) 4.460 89.408 ( 4.966 -3.076 -0.335) 5.852 92.305 ( -1.284 2.650 -0.041) 2.945 92.373 ( 0.317 0.157 -0.463) 0.582 92.611 ( -3.296 0.073 1.877) 3.793 92.664 ( 0.710 -2.460 2.960) 3.914 97.887 ( 1.659 2.628 2.437) 3.950 97.959 ( -1.223 2.492 -0.964) 2.939 98.063 ( 0.515 -3.706 2.014) 4.249 98.175 ( -0.078 -6.538 -0.183) 6.541 103.698 ( 0.040 0.724 0.546) 0.908 103.722 ( -0.665 -0.397 -0.355) 0.852 103.856 ( -0.485 1.836 -0.834) 2.074 103.892 ( -0.617 0.813 -2.252) 2.472 ======================= Grid point 83 (41/112) ======================= q-point: ( 0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 1.390 9.006 3.361) 9.713 1.135 ( 3.545 13.410 7.837) 15.932 1.437 ( 2.370 -1.811 -3.754) 4.795 1.688 ( -5.590 -6.407 1.032) 8.565 1.713 ( -4.019 -5.449 -3.010) 7.410 1.828 ( 3.911 -1.043 -6.286) 7.476 1.935 ( 6.872 -1.763 -5.124) 8.751 2.094 ( -1.470 -4.029 1.959) 4.715 2.173 ( 0.378 -0.776 3.044) 3.165 2.294 ( -1.636 4.729 5.775) 7.642 2.383 ( -4.251 -2.090 -0.867) 4.816 2.479 ( -3.673 0.855 5.718) 6.849 2.617 ( -0.858 -0.987 7.383) 7.498 2.678 ( -4.214 0.590 0.886) 4.347 2.716 ( -7.041 -2.965 2.369) 7.999 2.785 ( -1.848 -0.073 1.084) 2.144 2.834 ( -2.551 -1.570 4.430) 5.347 2.930 ( 0.365 0.992 3.049) 3.227 3.035 ( 1.196 -2.618 -0.962) 3.035 3.109 ( -1.341 -4.424 1.720) 4.933 3.159 ( 1.374 3.539 -4.466) 5.862 3.431 ( 1.864 -3.694 -1.195) 4.307 3.513 ( 4.633 3.676 -8.892) 10.679 3.582 ( 4.582 0.581 -4.704) 6.592 4.342 ( -3.946 2.893 2.485) 5.487 4.480 ( 0.906 -0.764 2.167) 2.469 4.595 ( -5.876 1.474 2.417) 6.522 4.623 ( 0.328 2.408 2.030) 3.166 4.641 ( -1.720 1.696 -1.251) 2.720 4.729 ( -5.817 -1.439 0.039) 5.993 4.768 ( -6.155 -4.640 2.296) 8.042 4.903 ( 2.622 -7.207 3.870) 8.590 5.000 ( -5.416 1.386 0.043) 5.591 5.190 ( -3.149 -5.618 4.437) 7.821 5.230 ( -3.250 -1.649 -1.426) 3.914 5.257 ( -3.205 -2.651 -1.944) 4.591 5.382 ( 2.981 3.565 2.458) 5.257 5.518 ( -1.074 -0.896 -4.856) 5.054 5.628 ( -0.215 -1.052 -2.862) 3.056 5.660 ( 2.321 -0.085 -3.791) 4.446 5.720 ( -1.927 1.660 -2.200) 3.363 5.877 ( -5.234 -0.653 -5.103) 7.339 6.076 ( -2.013 4.717 -7.888) 9.409 6.228 ( 9.671 1.437 -0.814) 9.811 6.345 ( -5.287 -1.322 1.665) 5.699 6.391 ( 1.928 -0.712 4.081) 4.569 6.440 ( 2.798 -1.457 2.942) 4.314 6.519 ( 4.392 -5.147 -7.384) 10.015 6.647 ( 3.461 2.426 2.464) 4.892 6.713 ( 3.313 -0.617 0.557) 3.416 6.980 ( 2.847 5.621 9.499) 11.399 7.098 ( -2.365 0.721 -6.669) 7.112 7.248 ( -2.532 2.224 2.268) 4.062 7.387 ( -4.298 -3.486 -1.437) 5.718 7.656 ( 3.746 9.695 0.582) 10.410 8.035 ( 4.064 -5.321 1.355) 6.831 8.245 ( -2.192 12.663 -2.563) 13.105 8.337 ( -3.033 4.764 -1.643) 5.882 8.429 ( -0.058 3.438 4.115) 5.363 8.611 ( -2.271 -2.355 -8.028) 8.669 8.853 ( -3.663 -0.153 -1.998) 4.175 8.947 ( 2.819 -1.000 0.477) 3.029 9.365 ( 4.402 1.994 -2.584) 5.480 9.514 ( 7.020 -8.057 -2.015) 10.874 9.966 ( 3.127 1.063 -2.201) 3.969 10.070 ( -5.667 -2.039 3.800) 7.121 10.237 ( 0.116 2.710 -1.475) 3.087 10.373 ( 3.734 -6.305 2.241) 7.662 10.606 ( 0.843 2.556 -3.080) 4.090 10.670 ( 4.557 -1.414 1.517) 5.007 10.960 ( -7.087 2.169 6.580) 9.911 11.132 ( 0.074 -5.065 6.796) 8.477 21.371 ( -2.818 0.903 2.469) 3.854 21.459 ( -1.402 -2.674 1.413) 3.334 21.587 ( 0.761 -0.067 0.405) 0.865 21.632 ( 0.688 -1.995 -0.634) 2.204 22.705 ( -1.550 1.401 -0.437) 2.135 22.750 ( -0.654 0.048 0.517) 0.835 22.864 ( -0.292 -0.089 -0.047) 0.309 22.884 ( -0.241 -0.714 -0.417) 0.861 23.545 ( 0.963 4.456 0.195) 4.563 23.667 ( 2.661 0.160 -3.172) 4.143 23.783 ( -1.560 1.686 2.155) 3.149 23.964 ( 2.107 -4.224 -0.260) 4.728 26.751 ( -2.193 0.688 1.327) 2.654 26.823 ( -1.553 -2.787 0.686) 3.264 27.045 ( -0.309 1.053 -0.716) 1.311 27.067 ( 0.077 0.502 -0.163) 0.533 29.739 ( -0.968 1.258 2.557) 3.010 29.781 ( -1.778 2.389 -1.982) 3.578 29.916 ( -1.591 -3.004 4.436) 5.588 29.996 ( -4.902 -3.889 -4.968) 7.990 32.066 ( -0.909 5.429 -0.629) 5.541 32.109 ( 0.575 6.286 0.659) 6.347 32.314 ( -2.038 -5.396 -0.897) 5.837 32.375 ( 0.245 -5.318 0.885) 5.396 33.551 ( -0.345 2.073 0.091) 2.104 33.623 ( 1.205 1.097 0.173) 1.638 33.680 ( -0.158 -0.075 0.072) 0.190 33.794 ( 2.063 -3.095 0.176) 3.723 35.332 ( -0.492 1.035 0.605) 1.296 35.368 ( -1.388 -0.324 -0.316) 1.460 35.442 ( -0.209 1.356 -0.450) 1.444 35.471 ( 0.638 0.139 -0.041) 0.655 89.036 ( 1.526 0.941 1.154) 2.132 89.093 ( 0.353 -1.582 2.146) 2.689 89.344 ( 4.620 2.252 -1.839) 5.459 89.495 ( 5.455 -4.259 0.388) 6.931 92.286 ( -1.019 2.995 0.145) 3.167 92.379 ( 0.330 -1.074 0.527) 1.242 92.589 ( -1.326 2.037 0.993) 2.625 92.704 ( -0.129 -3.549 3.065) 4.691 97.912 ( -1.289 1.633 -1.367) 2.490 97.941 ( 0.690 3.443 1.337) 3.758 98.003 ( -3.972 -0.791 -2.511) 4.766 98.231 ( 2.501 -8.462 2.452) 9.159 103.703 ( -0.300 0.206 0.164) 0.399 103.708 ( -0.340 0.016 0.091) 0.353 103.839 ( -0.575 1.723 -0.649) 1.929 103.866 ( -0.506 0.872 -0.983) 1.407 ======================= Grid point 84 (42/112) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -2.656 1.536 -2.874) 4.204 1.259 ( 2.058 7.825 5.675) 9.883 1.410 ( -2.809 -4.401 -1.514) 5.436 1.572 ( 0.095 -3.547 -7.870) 8.633 1.674 ( 1.746 3.714 3.514) 5.403 1.888 ( 5.504 2.128 -4.201) 7.244 1.967 ( 2.237 -0.283 -2.691) 3.511 2.077 ( -3.667 -3.963 2.383) 5.902 2.213 ( -0.344 -3.959 1.536) 4.260 2.240 ( -3.532 4.614 -1.458) 5.991 2.324 ( -2.210 -7.298 -1.025) 7.694 2.460 ( -4.467 0.010 2.372) 5.058 2.593 ( -5.782 0.600 1.303) 5.957 2.640 ( -3.719 -2.978 -0.570) 4.799 2.666 ( -0.962 0.284 1.674) 1.951 2.776 ( -4.326 -4.038 2.077) 6.272 2.902 ( 1.237 0.143 8.877) 8.964 2.976 ( 1.439 2.345 1.850) 3.316 3.061 ( 0.086 -2.918 -0.409) 2.948 3.088 ( 0.673 -3.214 2.050) 3.871 3.194 ( 4.595 2.264 1.888) 5.459 3.420 ( -0.620 -3.318 -3.832) 5.107 3.501 ( 3.780 3.464 -4.509) 6.828 3.607 ( 4.750 -0.123 -4.345) 6.439 4.310 ( -2.629 3.117 1.624) 4.389 4.495 ( -2.921 -3.103 3.271) 5.373 4.510 ( -5.802 2.063 2.087) 6.501 4.573 ( -1.410 0.124 -2.318) 2.716 4.646 ( -3.480 -1.686 -0.916) 3.974 4.670 ( -2.887 -1.864 1.960) 3.956 4.719 ( -1.202 0.593 2.529) 2.862 4.928 ( -2.050 3.101 -0.303) 3.729 4.967 ( -0.874 -2.528 1.546) 3.090 5.120 ( -2.459 -0.573 1.382) 2.878 5.203 ( -1.031 -2.738 -3.780) 4.780 5.232 ( -0.414 -4.233 3.103) 5.265 5.403 ( -3.676 1.799 -4.227) 5.884 5.457 ( -0.461 -0.117 3.547) 3.579 5.579 ( -1.866 0.987 -2.518) 3.285 5.665 ( 1.780 1.261 -1.588) 2.698 5.694 ( -1.245 -1.175 -0.676) 1.841 5.768 ( -0.963 -1.956 -3.491) 4.116 5.982 ( -0.194 -0.595 -3.464) 3.520 6.182 ( -7.282 -6.277 -3.384) 10.192 6.330 ( 3.273 1.239 -2.578) 4.347 6.481 ( 2.835 0.348 3.482) 4.503 6.530 ( 2.980 -4.354 -1.365) 5.450 6.583 ( 6.896 -0.716 -0.477) 6.949 6.700 ( 0.814 4.319 2.114) 4.877 6.837 ( 7.463 1.912 4.419) 8.881 7.033 ( 0.579 4.037 -2.576) 4.824 7.132 ( -0.734 2.473 12.403) 12.668 7.265 ( 0.454 1.287 3.286) 3.558 7.313 ( -1.972 -3.052 -1.555) 3.953 7.715 ( 2.373 11.613 -0.207) 11.854 7.980 ( -4.527 3.095 -3.508) 6.510 8.234 ( -0.477 9.102 -0.423) 9.124 8.334 ( 1.713 1.173 2.207) 3.030 8.448 ( -3.923 3.017 0.898) 5.030 8.480 ( -0.297 -4.602 -3.954) 6.074 8.777 ( -2.244 4.175 -2.143) 5.202 9.011 ( 4.015 -3.221 -0.739) 5.200 9.400 ( 3.387 2.774 -2.686) 5.136 9.594 ( 5.459 -8.086 -2.074) 9.975 10.016 ( 1.176 -0.491 -0.588) 1.404 10.021 ( -0.594 1.936 1.633) 2.601 10.223 ( 1.354 2.813 -3.539) 4.720 10.431 ( 0.267 -7.644 2.801) 8.145 10.560 ( -2.267 2.977 -2.557) 4.532 10.740 ( 2.791 -3.660 -0.284) 4.612 10.914 ( -5.709 3.125 4.082) 7.683 11.195 ( 0.761 -7.327 2.708) 7.848 21.353 ( -2.174 1.476 1.691) 3.125 21.453 ( -1.246 -2.826 1.341) 3.367 21.598 ( 0.406 -0.292 -0.265) 0.566 21.633 ( 0.554 -1.774 -0.964) 2.094 22.681 ( -1.033 1.752 -0.148) 2.039 22.744 ( -0.603 -0.313 0.229) 0.717 22.860 ( -0.082 -0.115 -0.098) 0.171 22.876 ( -0.477 -0.908 0.008) 1.025 23.564 ( 0.822 4.387 0.480) 4.489 23.677 ( 2.573 0.987 -2.768) 3.907 23.785 ( -1.276 1.615 2.385) 3.151 23.992 ( 1.705 -4.830 -0.499) 5.147 26.729 ( -1.948 0.364 1.082) 2.258 26.800 ( -1.565 -3.062 0.066) 3.440 27.035 ( -0.125 1.512 -0.596) 1.630 27.069 ( -0.086 0.462 0.192) 0.508 29.694 ( -1.964 2.369 -2.419) 3.914 29.767 ( -1.082 2.882 1.121) 3.276 29.862 ( -3.383 -3.281 -2.920) 5.545 29.957 ( -1.780 -3.970 3.322) 5.474 32.049 ( -0.494 4.792 -0.382) 4.833 32.121 ( 0.267 6.106 0.203) 6.115 32.275 ( -1.484 -5.040 -0.560) 5.284 32.382 ( -0.278 -5.244 0.330) 5.262 33.549 ( -0.196 2.172 0.439) 2.225 33.647 ( 1.239 0.761 0.484) 1.533 33.678 ( -0.149 0.326 -0.049) 0.362 33.822 ( 1.489 -3.414 -0.356) 3.742 35.329 ( -0.420 0.277 0.236) 0.555 35.348 ( -0.882 -0.474 0.039) 1.003 35.441 ( 0.140 1.724 0.095) 1.733 35.478 ( 0.208 0.164 0.153) 0.306 89.076 ( 1.335 0.405 1.803) 2.280 89.124 ( 0.441 -1.646 2.143) 2.738 89.398 ( 4.055 2.700 -1.482) 5.092 89.577 ( 3.742 -5.101 0.607) 6.355 92.277 ( -0.658 3.247 0.691) 3.384 92.390 ( -0.044 -1.976 0.856) 2.154 92.586 ( 0.373 2.413 -0.389) 2.473 92.716 ( -1.566 -3.776 1.536) 4.367 97.877 ( -0.746 0.613 -1.339) 1.651 97.901 ( -2.676 -0.354 -1.886) 3.293 97.986 ( 0.516 5.060 0.865) 5.160 98.275 ( 0.910 -7.824 0.468) 7.890 103.694 ( -0.352 0.293 -0.200) 0.500 103.712 ( -0.115 -0.497 0.511) 0.722 103.826 ( -0.365 1.792 -0.274) 1.849 103.853 ( -0.295 0.709 -0.334) 0.838 ======================= Grid point 85 (43/112) ======================= q-point: ( 0.44 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.123 -0.924 -1.708) 1.946 1.278 ( 0.318 -8.890 -3.882) 9.706 1.407 ( -2.036 6.196 8.809) 10.960 1.555 ( 5.698 1.947 -4.266) 7.379 1.789 ( 4.796 4.923 3.345) 7.644 1.842 ( -3.494 3.724 -3.105) 5.976 1.985 ( -3.567 -2.210 -1.204) 4.365 2.021 ( 2.315 -1.107 -0.910) 2.723 2.211 ( 2.515 -1.858 -2.455) 3.976 2.218 ( -1.200 1.475 1.189) 2.243 2.282 ( -0.635 -5.816 -3.668) 6.905 2.398 ( -3.136 0.101 -0.727) 3.221 2.540 ( -3.318 2.559 0.102) 4.191 2.574 ( -1.461 -5.828 -2.222) 6.406 2.636 ( -2.241 -1.663 -3.052) 4.136 2.715 ( -3.553 -5.730 0.183) 6.745 2.882 ( -4.152 2.394 -1.373) 4.985 3.045 ( 0.618 -2.973 3.280) 4.470 3.087 ( -1.231 -0.552 0.433) 1.417 3.155 ( 1.443 -3.234 7.653) 8.433 3.267 ( -0.482 1.537 0.349) 1.648 3.400 ( 3.246 -2.784 1.498) 4.531 3.527 ( 2.963 3.511 -0.984) 4.699 3.650 ( 4.880 -0.491 -1.747) 5.207 4.291 ( -1.193 3.396 0.437) 3.626 4.453 ( -4.040 0.264 3.901) 5.622 4.493 ( -3.393 -2.066 4.858) 6.275 4.553 ( -0.300 -1.314 1.131) 1.759 4.604 ( -0.159 -2.334 -3.792) 4.455 4.616 ( -1.834 -2.343 0.924) 3.116 4.728 ( -1.491 3.159 -0.070) 3.494 4.904 ( 0.086 0.433 1.071) 1.158 4.963 ( -1.762 1.409 1.786) 2.878 5.132 ( 0.442 0.537 -0.015) 0.696 5.142 ( -1.355 -3.526 -3.610) 5.225 5.276 ( 2.034 -3.175 1.933) 4.237 5.341 ( 0.170 2.043 0.668) 2.156 5.445 ( -2.699 -2.164 1.645) 3.831 5.569 ( 1.118 4.005 2.151) 4.681 5.652 ( -0.840 2.705 -2.260) 3.624 5.690 ( 1.567 -0.940 0.341) 1.859 5.765 ( 2.078 -4.211 -0.709) 4.749 5.984 ( 2.443 -4.043 -0.739) 4.782 6.071 ( -3.255 -6.108 -1.176) 7.020 6.308 ( 0.462 1.203 -6.158) 6.292 6.488 ( 0.028 -4.474 -8.396) 9.513 6.548 ( 0.806 1.062 1.760) 2.208 6.641 ( 0.375 -4.665 0.537) 4.710 6.761 ( 2.111 9.954 2.681) 10.523 6.995 ( 4.071 1.467 6.345) 7.680 7.028 ( -0.898 3.775 0.516) 3.914 7.179 ( -5.391 0.306 7.167) 8.973 7.282 ( -1.617 1.767 1.052) 2.616 7.321 ( 0.100 -0.495 2.941) 2.984 7.736 ( 1.459 9.745 0.634) 9.874 7.947 ( 1.107 1.590 3.325) 3.848 8.188 ( -2.353 10.840 -3.155) 11.533 8.353 ( -0.200 -1.122 -3.869) 4.034 8.388 ( -0.807 3.910 3.001) 4.994 8.523 ( 1.418 -0.755 3.168) 3.552 8.759 ( 1.436 5.365 1.625) 5.786 9.048 ( 2.533 -5.581 -2.285) 6.541 9.414 ( 1.972 2.839 -2.808) 4.453 9.638 ( 2.661 -7.810 -2.191) 8.537 9.975 ( -3.191 2.791 1.616) 4.537 10.089 ( 3.562 -0.266 -0.188) 3.577 10.204 ( 3.752 3.657 -6.843) 8.618 10.441 ( -2.547 -5.636 1.059) 6.275 10.509 ( -1.038 1.489 0.822) 1.992 10.753 ( 0.338 -6.718 -1.447) 6.880 10.861 ( -3.929 4.426 -0.014) 5.918 11.195 ( -1.339 -8.574 -2.482) 9.026 21.339 ( -1.502 1.854 1.396) 2.764 21.449 ( -0.995 -2.915 1.308) 3.346 21.592 ( 0.080 -0.119 -1.486) 1.493 21.631 ( 0.591 -1.742 -1.193) 2.192 22.671 ( -0.200 1.709 0.323) 1.751 22.735 ( -0.409 -0.325 -0.287) 0.596 22.861 ( 0.202 -0.215 0.129) 0.322 22.869 ( -0.383 -1.001 0.169) 1.085 23.578 ( 0.150 4.496 0.600) 4.538 23.688 ( 2.171 1.918 -2.328) 3.717 23.792 ( -1.366 0.915 2.815) 3.261 24.004 ( 0.764 -5.087 -0.998) 5.240 26.717 ( -1.090 0.202 1.232) 1.658 26.783 ( -0.526 -3.040 0.251) 3.095 27.028 ( 0.112 1.654 -0.795) 1.839 27.063 ( -0.395 0.508 -0.693) 0.946 29.664 ( 0.611 2.437 -0.808) 2.639 29.754 ( -1.211 3.736 -0.180) 3.932 29.816 ( 0.457 -3.507 -0.707) 3.607 29.942 ( -2.718 -4.112 0.623) 4.968 32.044 ( 0.069 4.526 0.033) 4.527 32.121 ( -0.111 5.942 -0.480) 5.963 32.261 ( -0.159 -4.932 0.439) 4.954 32.376 ( -0.386 -5.144 -0.381) 5.172 33.553 ( -0.177 2.297 0.834) 2.451 33.668 ( 0.589 3.406 -0.255) 3.466 33.674 ( -0.328 -2.382 0.680) 2.499 33.832 ( 0.610 -3.515 -0.979) 3.699 35.325 ( -0.184 -0.032 0.078) 0.202 35.339 ( -0.426 -0.586 0.054) 0.727 35.445 ( 0.026 1.822 0.452) 1.877 35.481 ( 0.020 0.235 0.131) 0.270 89.111 ( -0.009 -0.027 2.450) 2.450 89.153 ( -0.278 -1.882 3.061) 3.604 89.435 ( 2.224 2.831 -1.142) 3.777 89.617 ( 0.693 -5.163 -0.105) 5.210 92.280 ( -0.423 3.237 1.403) 3.553 92.394 ( -0.516 -2.020 0.849) 2.251 92.584 ( 0.744 1.809 -2.001) 2.798 92.687 ( -2.134 -2.861 -1.076) 3.728 97.861 ( 0.410 0.553 -0.505) 0.854 97.879 ( 0.426 -0.226 0.793) 0.928 97.991 ( -0.362 5.133 -0.224) 5.151 98.271 ( -0.329 -7.226 -1.934) 7.488 103.691 ( 0.020 0.268 0.102) 0.287 103.712 ( -0.315 -0.694 0.154) 0.778 103.822 ( 0.022 1.760 0.140) 1.766 103.848 ( -0.000 0.644 -0.116) 0.654 ======================= Grid point 86 (44/112) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -1.221 1.064 -1.179) 2.003 1.277 ( 4.769 -8.450 -3.038) 10.167 1.478 ( -4.055 7.281 12.548) 15.063 1.632 ( 7.717 1.012 -4.099) 8.797 1.698 ( -3.998 4.989 -8.186) 10.387 1.885 ( 3.529 -0.564 -2.258) 4.227 1.962 ( 0.610 -0.338 5.816) 5.858 2.080 ( 2.951 -1.689 2.944) 4.498 2.178 ( -0.817 0.992 -4.387) 4.571 2.214 ( -0.743 -2.123 -0.541) 2.313 2.242 ( 0.500 -3.111 -4.760) 5.708 2.366 ( -3.199 1.933 1.693) 4.103 2.463 ( 0.242 1.272 -5.407) 5.560 2.524 ( -1.897 1.829 -6.490) 7.004 2.588 ( 1.195 -5.416 0.926) 5.623 2.670 ( -1.470 -4.646 -1.030) 4.981 2.825 ( -2.529 1.481 1.118) 3.137 3.027 ( -6.332 -6.466 0.262) 9.053 3.085 ( 0.810 -3.398 -0.901) 3.608 3.125 ( -1.596 -4.913 -1.472) 5.371 3.336 ( -0.856 3.063 8.064) 8.668 3.462 ( 0.838 -1.538 1.806) 2.516 3.580 ( 3.202 4.259 0.869) 5.399 3.718 ( 3.323 -0.624 0.860) 3.489 4.286 ( -0.801 3.140 1.841) 3.727 4.446 ( -1.443 -0.814 2.432) 2.943 4.501 ( -1.535 -0.107 2.995) 3.367 4.559 ( -0.939 0.049 -0.006) 0.940 4.588 ( 2.047 -0.768 1.353) 2.571 4.642 ( 2.552 -3.753 0.148) 4.541 4.711 ( -0.065 2.684 2.307) 3.539 4.929 ( 0.527 -2.129 -0.101) 2.196 4.938 ( -2.586 -2.359 0.400) 3.523 5.069 ( -1.449 -4.652 -4.308) 6.504 5.155 ( 3.347 0.962 -0.248) 3.491 5.292 ( -0.568 -2.791 -0.916) 2.992 5.401 ( 1.879 2.746 3.866) 5.100 5.503 ( 5.800 -0.028 3.872) 6.974 5.624 ( 1.463 2.217 -1.237) 2.930 5.642 ( 2.011 5.463 5.043) 7.702 5.738 ( 4.145 0.278 0.460) 4.180 5.774 ( -1.829 -5.239 1.180) 5.673 6.023 ( 2.093 -3.109 -0.935) 3.863 6.065 ( 4.569 -5.240 -0.819) 7.001 6.227 ( 0.388 -0.014 -9.168) 9.176 6.354 ( -1.849 -3.618 -12.852) 13.479 6.560 ( -2.807 1.111 3.033) 4.279 6.633 ( -1.053 -1.502 -0.258) 1.853 6.788 ( -2.631 7.758 3.877) 9.063 6.978 ( -3.929 1.737 -0.518) 4.327 7.102 ( -3.121 2.503 9.059) 9.903 7.179 ( -1.528 0.843 5.652) 5.915 7.244 ( -3.617 3.027 1.182) 4.862 7.355 ( 0.828 -2.411 3.161) 4.061 7.779 ( -1.116 7.351 4.637) 8.762 8.027 ( 2.286 -1.059 1.987) 3.209 8.125 ( 0.548 10.844 -4.180) 11.634 8.308 ( 0.967 0.676 -4.603) 4.752 8.422 ( -0.891 7.329 5.366) 9.127 8.589 ( 3.549 0.437 3.414) 4.944 8.845 ( 2.840 3.019 5.225) 6.669 9.043 ( 0.303 -5.437 -2.426) 5.961 9.403 ( 0.719 2.889 -3.255) 4.411 9.626 ( -0.555 -7.295 -3.111) 7.950 9.956 ( -0.830 2.956 0.682) 3.145 10.094 ( -2.031 -1.306 -0.312) 2.435 10.222 ( 7.251 4.265 -6.959) 10.918 10.385 ( -3.158 -1.162 -1.157) 3.558 10.554 ( 1.887 -1.936 4.707) 5.429 10.738 ( 0.333 -6.590 -1.524) 6.773 10.778 ( -4.250 3.281 -3.140) 6.220 11.100 ( -3.910 -8.662 -6.696) 11.625 21.334 ( -1.045 2.128 1.396) 2.752 21.450 ( -0.720 -2.898 1.392) 3.295 21.572 ( 0.107 0.364 -2.326) 2.357 21.626 ( 0.607 -1.982 -1.413) 2.508 22.681 ( 0.593 1.254 0.736) 1.570 22.726 ( -0.079 0.036 -0.692) 0.698 22.863 ( -0.214 -0.475 0.189) 0.554 22.873 ( 0.605 -0.858 0.311) 1.095 23.581 ( -0.692 4.843 0.680) 4.940 23.695 ( 1.635 2.539 -2.183) 3.726 23.801 ( -1.750 -0.108 3.313) 3.748 23.995 ( -0.225 -4.927 -1.459) 5.144 26.721 ( -0.222 0.304 1.443) 1.491 26.788 ( 0.434 -2.921 0.392) 2.979 27.025 ( 0.664 1.338 -0.795) 1.692 27.046 ( 0.054 0.781 -1.385) 1.591 29.684 ( 0.858 2.710 -0.172) 2.848 29.734 ( 1.140 3.575 -0.822) 3.842 29.852 ( 1.061 -4.370 0.362) 4.511 29.900 ( 0.591 -3.568 -0.663) 3.676 32.052 ( 0.574 4.781 0.490) 4.840 32.108 ( -0.392 5.938 -1.080) 6.048 32.279 ( 1.093 -5.130 1.272) 5.397 32.363 ( -0.258 -5.133 -1.054) 5.247 33.561 ( -0.208 2.288 1.221) 2.601 33.657 ( -0.656 2.658 -0.615) 2.806 33.685 ( -0.126 -1.743 1.077) 2.053 33.821 ( -0.307 -3.431 -1.486) 3.751 35.324 ( -0.136 0.002 0.076) 0.156 35.336 ( 0.162 -0.421 -0.106) 0.463 35.451 ( -0.067 1.756 0.723) 1.900 35.483 ( 0.093 0.251 0.147) 0.305 89.125 ( -1.644 -0.024 2.507) 2.998 89.179 ( -1.700 -2.846 4.651) 5.711 89.444 ( -0.071 2.429 -0.379) 2.460 89.596 ( -2.170 -4.323 -1.470) 5.055 92.293 ( -0.349 2.935 2.145) 3.652 92.394 ( -0.750 -1.554 1.141) 2.069 92.563 ( -0.084 1.624 -2.975) 3.390 92.638 ( -0.740 -1.810 -3.165) 3.721 97.882 ( 1.680 0.982 0.765) 2.091 97.917 ( 1.694 0.048 1.628) 2.350 97.976 ( -0.302 3.698 0.017) 3.711 98.224 ( -1.263 -6.831 -4.335) 8.189 103.696 ( 0.325 0.084 0.367) 0.497 103.706 ( -0.396 -0.319 -0.127) 0.524 103.829 ( 0.426 1.539 0.376) 1.641 103.851 ( 0.530 0.716 -0.027) 0.891 ======================= Grid point 87 (45/112) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -4.788 7.970 -1.651) 9.443 1.277 ( -2.185 -0.944 -6.311) 6.745 1.509 ( -5.669 3.109 2.959) 7.110 1.575 ( -2.283 0.778 1.828) 3.027 1.710 ( 8.105 -0.091 -5.481) 9.785 1.905 ( 0.142 -0.362 -2.060) 2.096 2.048 ( -0.699 -1.111 6.363) 6.497 2.112 ( 3.008 1.036 -4.737) 5.707 2.163 ( -2.207 -4.040 -0.258) 4.611 2.214 ( -1.967 0.542 2.828) 3.487 2.227 ( 4.952 -2.560 1.077) 5.677 2.277 ( 1.333 5.964 -3.910) 7.255 2.451 ( 1.567 1.896 -2.514) 3.517 2.498 ( 4.274 -1.663 -3.458) 5.743 2.636 ( 3.582 -2.047 0.372) 4.143 2.648 ( -0.093 -4.534 -0.405) 4.553 2.815 ( 0.764 0.221 -0.736) 1.083 2.918 ( -5.436 -6.014 0.599) 8.128 3.074 ( -0.470 -4.400 -1.496) 4.671 3.129 ( 0.165 -4.781 2.409) 5.356 3.349 ( -4.055 2.576 2.408) 5.374 3.480 ( -0.855 -1.539 1.866) 2.565 3.625 ( 1.319 4.255 0.183) 4.459 3.748 ( -0.957 -0.662 0.646) 1.331 4.302 ( -0.600 2.352 2.777) 3.689 4.449 ( 0.301 -0.109 -0.422) 0.530 4.481 ( -1.059 -0.137 -2.062) 2.322 4.592 ( 1.888 0.687 3.571) 4.098 4.636 ( 1.299 -0.549 -1.302) 1.919 4.661 ( -0.152 -1.582 3.640) 3.972 4.793 ( 2.789 -1.440 5.401) 6.247 4.867 ( -2.953 -3.186 -0.719) 4.403 4.953 ( 1.891 -2.842 0.586) 3.464 5.037 ( 1.992 -5.421 -3.357) 6.680 5.214 ( 4.175 -1.144 -1.277) 4.513 5.271 ( -0.973 -2.265 0.124) 2.468 5.451 ( -0.477 4.092 3.884) 5.662 5.622 ( 4.434 1.374 -0.496) 4.668 5.662 ( 3.648 0.479 0.047) 3.679 5.746 ( -1.523 -5.051 3.952) 6.591 5.754 ( 2.477 4.411 3.141) 5.955 5.841 ( 6.338 2.279 1.784) 6.967 6.049 ( 4.205 1.093 -2.093) 4.822 6.108 ( 1.533 -3.225 -10.281) 10.884 6.146 ( 2.752 -3.335 -9.058) 10.037 6.216 ( 4.036 -3.592 -7.503) 9.246 6.505 ( -7.417 3.848 2.588) 8.748 6.639 ( 0.863 0.885 2.977) 3.223 6.788 ( -3.893 2.727 6.045) 7.690 6.915 ( -4.524 2.390 3.090) 5.977 7.099 ( -7.305 1.416 8.054) 10.965 7.211 ( -0.962 4.124 1.132) 4.383 7.255 ( 0.829 0.992 6.067) 6.203 7.417 ( 1.505 -4.496 3.977) 6.188 7.772 ( -5.836 5.275 4.647) 9.137 8.024 ( 0.327 -1.018 -4.196) 4.331 8.094 ( -1.333 7.705 -3.029) 8.386 8.281 ( 1.957 0.496 -6.181) 6.502 8.505 ( 2.458 9.483 7.930) 12.604 8.706 ( 6.227 2.255 2.623) 7.123 8.897 ( -2.082 0.657 1.152) 2.468 9.035 ( -0.239 -3.128 2.452) 3.982 9.366 ( 0.096 2.897 -4.884) 5.679 9.561 ( -2.414 -6.530 -3.913) 7.986 9.956 ( 0.243 1.886 -0.294) 1.924 10.064 ( -0.940 -0.342 0.813) 1.289 10.254 ( 4.554 3.077 -5.279) 7.621 10.326 ( -2.157 -0.124 -1.800) 2.812 10.646 ( -0.001 1.551 -0.629) 1.674 10.671 ( -2.589 -2.118 4.191) 5.362 10.746 ( 2.077 -4.497 -0.973) 5.048 10.946 ( -4.509 -8.410 -7.979) 12.439 21.335 ( -0.972 2.380 1.781) 3.128 21.456 ( -0.541 -2.856 1.587) 3.312 21.550 ( 0.443 0.801 -2.439) 2.605 21.620 ( 0.636 -2.246 -1.504) 2.777 22.703 ( 1.051 0.599 0.840) 1.472 22.720 ( 0.471 0.479 -0.816) 1.057 22.863 ( -0.051 -0.318 0.067) 0.329 22.890 ( 0.848 -0.920 0.456) 1.332 23.572 ( -1.147 5.090 0.662) 5.259 23.693 ( 1.213 2.308 -2.289) 3.469 23.806 ( -2.248 -0.626 3.540) 4.240 23.969 ( -0.750 -4.374 -1.618) 4.723 26.737 ( 0.140 0.376 1.485) 1.538 26.798 ( 0.370 -2.495 -0.011) 2.522 27.030 ( 1.109 1.244 -0.873) 1.881 27.049 ( 1.676 0.528 -0.440) 1.811 29.652 ( -1.475 1.722 -3.002) 3.762 29.783 ( -1.020 -1.098 -0.726) 1.665 29.812 ( 3.185 1.521 -0.918) 3.647 30.004 ( 7.249 -4.330 2.660) 8.853 32.071 ( 0.792 5.292 0.726) 5.400 32.088 ( -0.308 6.087 -1.273) 6.227 32.314 ( 1.189 -5.422 1.080) 5.654 32.347 ( 0.198 -5.184 -1.160) 5.316 33.573 ( -0.264 2.094 1.541) 2.613 33.639 ( -0.800 2.355 -0.465) 2.531 33.691 ( -0.563 -1.659 1.139) 2.090 33.792 ( -1.008 -3.182 -1.724) 3.757 35.322 ( -0.189 0.582 0.007) 0.612 35.343 ( 1.035 -0.286 -0.234) 1.099 35.460 ( 0.103 1.471 0.789) 1.672 35.489 ( 0.161 0.204 0.590) 0.645 89.115 ( -2.812 0.138 2.441) 3.726 89.193 ( -3.704 -4.214 5.660) 7.970 89.427 ( -2.273 1.125 0.944) 2.706 89.523 ( -3.718 -2.955 -2.763) 5.495 92.312 ( -0.470 2.553 2.538) 3.630 92.399 ( -0.633 -1.084 1.925) 2.298 92.530 ( 0.291 2.391 -2.389) 3.392 92.601 ( 0.635 -1.511 -3.531) 3.893 97.902 ( -1.312 2.542 -1.704) 3.330 97.924 ( 1.480 1.904 0.491) 2.461 98.031 ( 2.616 -1.272 3.471) 4.529 98.145 ( -1.276 -5.907 -5.514) 8.181 103.697 ( -0.330 0.316 -0.182) 0.492 103.709 ( 0.533 -0.272 0.485) 0.770 103.842 ( 0.736 1.498 0.335) 1.703 103.867 ( 1.412 0.806 0.070) 1.627 ======================= Grid point 88 (46/112) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -4.908 14.708 0.810) 15.526 1.081 ( -7.625 11.000 -11.150) 17.420 1.441 ( -2.535 -7.378 -1.276) 7.905 1.542 ( -12.229 9.291 10.123) 18.394 1.775 ( 4.162 -4.047 -1.530) 6.003 1.858 ( 0.343 -4.415 -2.962) 5.328 2.047 ( 0.555 -0.383 -4.019) 4.075 2.101 ( -0.173 -1.502 -1.977) 2.488 2.169 ( -1.155 1.691 0.408) 2.088 2.185 ( 1.955 0.691 2.251) 3.061 2.346 ( 5.269 2.194 2.630) 6.285 2.383 ( 5.800 -2.767 2.150) 6.776 2.447 ( 1.678 2.768 -2.686) 4.206 2.590 ( 10.173 -2.500 2.396) 10.746 2.656 ( 1.125 -4.910 -0.505) 5.062 2.712 ( 4.597 0.479 1.436) 4.840 2.833 ( 2.307 -1.939 -1.362) 3.307 2.875 ( -0.502 -2.888 -0.016) 2.931 3.045 ( -1.501 -4.315 -0.137) 4.571 3.155 ( -1.080 -2.770 2.428) 3.839 3.276 ( -5.623 3.011 -0.825) 6.432 3.476 ( -0.977 -2.850 0.313) 3.029 3.620 ( -0.872 3.250 -1.642) 3.744 3.705 ( -3.931 -0.613 -0.655) 4.032 4.313 ( -0.686 1.408 0.506) 1.645 4.441 ( -0.607 -2.654 0.154) 2.727 4.464 ( 1.871 1.556 -1.226) 2.725 4.584 ( -1.891 -2.345 -2.856) 4.151 4.666 ( 1.320 0.340 2.604) 2.940 4.737 ( 1.742 -3.559 5.876) 7.088 4.841 ( 0.951 -0.492 3.141) 3.318 4.907 ( 0.444 -1.466 5.384) 5.598 4.989 ( 3.065 -2.828 -2.098) 4.669 5.051 ( 2.136 -4.206 0.766) 4.779 5.251 ( 2.396 -1.873 -1.271) 3.296 5.270 ( 0.231 -3.003 0.690) 3.089 5.481 ( 0.310 4.043 1.563) 4.346 5.636 ( 0.254 2.444 -1.689) 2.982 5.714 ( -0.408 -2.889 1.478) 3.270 5.732 ( -0.136 -0.878 0.010) 0.888 5.821 ( 2.977 1.764 -3.261) 4.754 5.885 ( -2.233 -1.405 -4.921) 5.583 5.976 ( 3.908 1.621 -9.819) 10.692 6.128 ( 6.205 0.850 -1.735) 6.499 6.151 ( 4.694 -1.887 -2.885) 5.824 6.259 ( 6.160 -3.086 -4.202) 8.070 6.417 ( -6.444 7.450 3.399) 10.420 6.680 ( -1.917 -2.612 1.098) 3.421 6.818 ( 0.638 3.755 8.415) 9.237 6.930 ( -0.499 1.970 6.098) 6.427 7.057 ( -6.105 2.814 4.140) 7.895 7.222 ( -0.850 5.518 3.029) 6.352 7.338 ( 2.867 0.527 3.390) 4.471 7.462 ( -1.181 -7.326 3.244) 8.099 7.718 ( -5.357 3.147 3.279) 7.025 7.981 ( -0.111 -1.374 -2.878) 3.191 8.021 ( -3.533 4.581 -2.160) 6.175 8.224 ( 0.034 -1.699 -7.156) 7.355 8.632 ( 2.776 10.997 5.823) 12.749 8.773 ( -2.115 3.929 -2.579) 5.154 8.891 ( 4.707 3.974 2.081) 6.502 9.054 ( -2.075 -5.322 2.626) 6.287 9.297 ( -0.627 2.480 -7.285) 7.721 9.480 ( -2.163 -5.593 -3.685) 7.038 9.965 ( 1.448 2.559 0.587) 2.999 10.088 ( 0.381 -0.062 3.476) 3.497 10.242 ( 0.917 3.193 -5.153) 6.131 10.291 ( 0.355 -0.720 -1.491) 1.693 10.537 ( -5.726 -0.851 -1.348) 5.944 10.732 ( -2.513 -5.032 -5.647) 7.970 10.785 ( 1.500 -1.374 8.492) 8.732 10.865 ( 3.077 -5.425 0.448) 6.253 21.343 ( -1.216 2.407 2.977) 4.017 21.465 ( -0.623 -2.834 1.732) 3.380 21.536 ( 0.903 1.024 -1.969) 2.396 21.615 ( 0.714 -2.391 -1.367) 2.845 22.723 ( 1.214 1.006 -0.487) 1.650 22.733 ( 1.269 -0.299 0.568) 1.422 22.863 ( 0.038 0.167 -0.051) 0.179 22.905 ( 0.382 -1.021 0.289) 1.128 23.562 ( -0.770 4.726 0.391) 4.804 23.684 ( 0.954 1.272 -2.586) 3.035 23.805 ( -2.391 -0.254 3.404) 4.167 23.940 ( -0.712 -3.615 -1.460) 3.964 26.755 ( -0.035 0.117 1.622) 1.626 26.799 ( 0.016 -1.741 -0.088) 1.743 27.045 ( 1.795 1.333 -0.777) 2.367 27.081 ( 1.998 -0.168 0.320) 2.031 29.591 ( -1.726 1.272 -2.972) 3.664 29.722 ( -2.051 -3.877 -1.793) 4.738 29.900 ( 4.927 5.686 0.669) 7.553 30.148 ( 6.904 -5.126 1.890) 8.804 32.066 ( -0.282 5.577 -0.951) 5.665 32.098 ( 1.129 6.265 0.546) 6.389 32.312 ( -0.488 -5.140 -1.141) 5.287 32.368 ( 1.616 -5.648 0.841) 5.935 33.584 ( -0.662 1.809 1.616) 2.514 33.625 ( -0.263 2.110 -0.247) 2.140 33.692 ( -0.813 -1.711 1.066) 2.174 33.755 ( -1.215 -2.828 -1.623) 3.480 35.320 ( -0.042 1.454 0.027) 1.455 35.363 ( 1.867 -0.301 -0.496) 1.955 35.466 ( 0.039 1.087 0.037) 1.088 35.505 ( 0.448 -0.318 1.634) 1.724 89.090 ( -3.307 0.135 2.220) 3.985 89.180 ( -5.969 -5.346 6.201) 10.132 89.390 ( -3.967 -0.521 1.280) 4.201 89.430 ( -3.377 -1.686 -3.387) 5.072 92.329 ( -0.667 2.378 2.151) 3.275 92.405 ( -0.571 -0.473 0.500) 0.894 92.545 ( 2.164 1.462 2.018) 3.300 92.584 ( 1.108 -1.240 -2.224) 2.777 97.855 ( -1.531 1.793 -1.757) 2.940 97.932 ( -0.954 -0.308 -2.321) 2.528 98.030 ( -1.010 -0.080 -2.025) 2.264 98.155 ( 3.384 -3.584 2.020) 5.327 103.691 ( -0.153 0.806 -0.101) 0.826 103.723 ( 0.497 -0.677 0.436) 0.946 103.858 ( 0.885 1.776 0.093) 1.986 103.898 ( 2.480 0.529 -0.224) 2.545 ======================= Grid point 89 (47/112) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -4.044 15.699 3.757) 16.642 0.887 ( -1.653 21.562 -6.850) 22.684 1.403 ( -3.402 -10.036 2.973) 11.005 1.453 ( -12.163 15.597 13.254) 23.809 1.801 ( 0.462 -14.975 -0.347) 14.986 1.878 ( 3.970 2.322 -0.864) 4.679 2.010 ( 1.586 -1.340 -6.026) 6.373 2.103 ( 1.490 -3.797 -1.760) 4.443 2.148 ( -0.158 -1.818 -1.846) 2.596 2.217 ( -0.633 1.155 3.429) 3.673 2.401 ( 2.022 5.618 -2.010) 6.300 2.464 ( 1.767 -1.103 4.789) 5.222 2.526 ( 4.052 -2.299 1.334) 4.846 2.666 ( 1.417 -2.840 -0.168) 3.178 2.767 ( 3.824 0.350 2.191) 4.421 2.837 ( 7.490 -0.521 4.765) 8.893 2.839 ( 2.288 -1.933 -2.402) 3.840 2.900 ( 3.626 -0.634 -1.305) 3.905 3.039 ( 0.192 -4.059 1.619) 4.374 3.124 ( -4.659 3.489 0.242) 5.825 3.180 ( -4.262 -0.733 -0.564) 4.361 3.456 ( -1.163 -5.117 -1.011) 5.344 3.569 ( -1.517 2.660 -3.792) 4.874 3.632 ( -2.837 -0.415 -1.510) 3.241 4.299 ( -0.107 2.243 -0.565) 2.316 4.454 ( 1.572 -1.731 -0.278) 2.355 4.499 ( 0.981 -4.181 1.760) 4.642 4.545 ( 0.625 -1.370 -0.561) 1.607 4.705 ( 0.085 -0.121 3.354) 3.357 4.811 ( 0.117 -6.170 3.599) 7.144 4.879 ( -2.372 0.149 4.042) 4.689 4.955 ( -0.116 -1.534 2.658) 3.071 5.020 ( 3.074 -0.618 0.219) 3.143 5.107 ( 0.652 -5.930 2.840) 6.607 5.263 ( 1.061 -0.225 -1.142) 1.575 5.319 ( 4.405 -2.270 2.341) 5.481 5.496 ( 1.037 2.038 0.702) 2.392 5.587 ( -4.679 -0.511 -8.576) 9.783 5.627 ( -3.480 1.838 -3.592) 5.328 5.703 ( -1.418 -0.252 1.032) 1.772 5.824 ( 4.399 0.621 -2.442) 5.069 5.874 ( 2.415 -0.992 -1.250) 2.895 5.951 ( 3.865 3.405 -6.784) 8.518 6.149 ( 0.609 -3.410 -3.106) 4.652 6.218 ( 2.476 1.818 1.871) 3.596 6.312 ( 5.303 -1.985 -2.426) 6.160 6.382 ( -1.863 5.906 1.170) 6.302 6.618 ( -5.561 -2.964 0.705) 6.341 6.887 ( -1.492 3.559 -0.636) 3.911 6.985 ( -3.880 -0.920 3.149) 5.081 7.020 ( 2.178 11.232 0.130) 11.442 7.236 ( -0.641 4.582 3.132) 5.587 7.367 ( -1.284 0.239 -1.399) 1.914 7.488 ( -0.459 -8.661 3.643) 9.407 7.679 ( -1.307 2.736 -0.701) 3.112 7.938 ( -3.025 2.785 -2.740) 4.941 8.007 ( 2.544 -4.385 5.863) 7.751 8.153 ( -1.483 -3.294 -1.856) 4.061 8.648 ( -3.939 9.250 -2.387) 10.333 8.733 ( 1.574 10.807 0.858) 10.954 8.955 ( -3.282 -0.933 -1.133) 3.596 9.082 ( 8.563 -3.134 -1.149) 9.190 9.200 ( -2.704 3.178 -4.578) 6.194 9.417 ( -0.388 -5.333 -4.387) 6.916 10.012 ( 1.940 2.021 1.678) 3.266 10.126 ( -0.770 2.097 3.402) 4.069 10.215 ( 1.762 -0.785 -2.731) 3.343 10.285 ( -0.902 -1.604 0.119) 1.845 10.457 ( -3.094 -0.344 0.460) 3.146 10.619 ( -1.798 -5.525 -5.732) 8.162 10.884 ( -0.062 0.325 8.200) 8.206 10.969 ( 2.930 -3.627 5.588) 7.278 21.362 ( -1.688 1.515 4.765) 5.277 21.471 ( -0.902 -2.738 1.674) 3.334 21.537 ( 1.198 0.965 -1.144) 1.917 21.614 ( 0.816 -2.395 -1.076) 2.749 22.742 ( 1.549 0.622 -0.418) 1.721 22.757 ( 0.856 -0.601 0.431) 1.131 22.863 ( 0.246 0.741 -0.140) 0.794 22.904 ( -0.606 -0.749 -0.090) 0.968 23.555 ( -0.205 3.769 -0.517) 3.810 23.670 ( 1.078 0.184 -2.852) 3.054 23.804 ( -2.135 0.386 2.969) 3.677 23.919 ( -0.128 -2.943 -1.052) 3.128 26.769 ( -0.739 -0.113 1.914) 2.055 26.802 ( 0.064 -1.244 0.609) 1.387 27.064 ( 1.482 1.240 -0.982) 2.168 27.108 ( 0.994 -0.670 -0.247) 1.224 29.554 ( -0.436 1.967 0.599) 2.102 29.695 ( -0.432 -3.990 0.787) 4.090 29.964 ( 2.713 6.568 -0.497) 7.124 30.244 ( 3.647 -5.687 -0.717) 6.794 32.058 ( 0.182 5.341 -0.298) 5.352 32.117 ( 0.768 6.493 -0.076) 6.539 32.297 ( -0.066 -4.998 -0.290) 5.007 32.395 ( 0.722 -5.839 0.409) 5.898 33.580 ( -1.436 1.890 1.030) 2.587 33.627 ( 0.503 2.111 -0.240) 2.183 33.687 ( -1.032 -2.055 0.835) 2.446 33.726 ( -0.397 -2.447 -0.998) 2.672 35.321 ( 0.071 2.179 0.215) 2.191 35.389 ( 2.124 -0.514 -0.835) 2.339 35.461 ( -0.264 1.119 -0.524) 1.263 35.527 ( -0.047 -1.801 0.926) 2.025 89.059 ( -3.318 -0.076 1.916) 3.833 89.132 ( -8.401 -4.776 6.443) 11.614 89.331 ( -2.422 -0.054 -1.794) 3.014 89.360 ( -1.211 -1.374 -2.037) 2.739 92.334 ( -0.963 2.302 1.175) 2.758 92.394 ( -0.090 0.493 -1.285) 1.379 92.589 ( 1.263 -1.001 -0.145) 1.618 92.621 ( 1.060 -2.483 4.858) 5.558 97.829 ( -0.271 1.036 -0.058) 1.073 97.875 ( -0.902 -1.030 -0.987) 1.688 98.022 ( 0.285 3.849 -0.293) 3.871 98.215 ( 1.447 -4.354 0.963) 4.688 103.690 ( -0.004 1.036 0.083) 1.040 103.732 ( 0.176 -0.963 0.223) 1.004 103.870 ( 0.600 2.045 -0.314) 2.154 103.931 ( 2.435 -0.313 -1.719) 2.997 ======================= Grid point 90 (48/112) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.709 -11.924 4.502) 12.859 1.117 ( 1.709 11.924 4.502) 12.859 1.392 ( 2.129 -19.313 -0.548) 19.438 1.392 ( 2.129 19.313 -0.548) 19.438 1.782 ( -2.038 -11.144 1.927) 11.492 1.782 ( -2.038 11.144 1.927) 11.492 2.018 ( -0.199 -1.870 -3.567) 4.032 2.018 ( -0.199 1.870 -3.567) 4.032 2.192 ( -1.357 -8.133 8.390) 11.763 2.192 ( -1.357 8.133 8.390) 11.763 2.438 ( -1.244 -5.856 -1.754) 6.238 2.438 ( -1.244 5.856 -1.754) 6.238 2.653 ( 2.430 -7.983 -0.310) 8.350 2.653 ( 2.430 7.983 -0.310) 8.350 2.771 ( -1.231 -1.556 1.805) 2.682 2.771 ( -1.231 1.556 1.805) 2.682 2.974 ( 1.183 -3.310 2.067) 4.077 2.974 ( 1.183 3.310 2.067) 4.077 3.046 ( -1.870 -2.922 0.333) 3.485 3.046 ( -1.870 2.922 0.333) 3.485 3.266 ( 0.469 -8.470 -1.243) 8.573 3.266 ( 0.469 8.470 -1.243) 8.573 3.569 ( 1.110 -1.932 -3.834) 4.434 3.569 ( 1.110 1.932 -3.834) 4.434 4.399 ( 0.130 -4.543 2.977) 5.433 4.399 ( 0.130 4.543 2.977) 5.433 4.524 ( 2.091 -2.868 1.513) 3.859 4.524 ( 2.091 2.868 1.513) 3.859 4.737 ( -2.129 -1.518 3.881) 4.680 4.737 ( -2.129 1.518 3.881) 4.680 4.889 ( -3.665 -1.889 -0.692) 4.181 4.889 ( -3.665 1.889 -0.692) 4.181 5.063 ( -0.582 -1.031 4.035) 4.205 5.063 ( -0.582 1.031 4.035) 4.205 5.304 ( -1.383 -0.586 -1.511) 2.131 5.304 ( -1.383 0.586 -1.511) 2.131 5.501 ( 3.010 -2.908 -1.557) 4.466 5.501 ( 3.010 2.908 -1.557) 4.466 5.658 ( -2.152 -2.448 -0.896) 3.380 5.658 ( -2.152 2.448 -0.896) 3.380 5.892 ( 6.105 -0.970 -1.839) 6.450 5.892 ( 6.105 0.970 -1.839) 6.450 6.053 ( 4.166 -4.094 -4.920) 7.637 6.053 ( 4.166 4.094 -4.920) 7.637 6.304 ( 2.306 -2.847 -1.066) 3.816 6.304 ( 2.306 2.847 -1.066) 3.816 6.452 ( -3.600 -4.430 1.556) 5.916 6.452 ( -3.600 4.430 1.556) 5.916 6.884 ( -5.732 -3.214 -5.057) 8.292 6.884 ( -5.732 3.214 -5.057) 8.292 7.171 ( -4.985 -8.989 -4.343) 11.159 7.171 ( -4.985 8.989 -4.343) 11.159 7.395 ( 2.158 -4.345 2.734) 5.568 7.395 ( 2.158 4.345 2.734) 5.568 7.755 ( -3.655 -4.867 -0.699) 6.127 7.755 ( -3.655 4.867 -0.699) 6.127 8.170 ( 7.008 -1.895 6.901) 10.016 8.170 ( 7.008 1.895 6.901) 10.016 8.762 ( -1.560 -7.471 -5.923) 9.661 8.762 ( -1.560 7.471 -5.923) 9.661 8.963 ( -1.071 -9.192 -1.768) 9.421 8.963 ( -1.071 9.192 -1.768) 9.421 9.287 ( 3.153 -4.384 -2.875) 6.118 9.287 ( 3.153 4.384 -2.875) 6.118 10.057 ( -3.566 -3.448 1.597) 5.212 10.057 ( -3.566 3.448 1.597) 5.212 10.251 ( 1.274 -2.177 -0.537) 2.579 10.251 ( 1.274 2.177 -0.537) 2.579 10.513 ( 2.907 -3.370 0.522) 4.481 10.513 ( 2.907 3.370 0.522) 4.481 10.990 ( -1.631 -1.922 7.334) 7.756 10.990 ( -1.631 1.922 7.334) 7.756 21.416 ( -1.585 -2.432 2.567) 3.876 21.416 ( -1.585 2.432 2.567) 3.876 21.574 ( 1.044 -1.735 -0.621) 2.118 21.574 ( 1.044 1.735 -0.621) 2.118 22.758 ( -0.023 -0.230 0.083) 0.246 22.758 ( -0.023 0.230 0.083) 0.246 22.882 ( -0.023 -0.608 -0.291) 0.674 22.882 ( -0.023 0.608 -0.291) 0.674 23.617 ( 0.145 -3.246 -0.983) 3.395 23.617 ( 0.145 3.246 -0.983) 3.395 23.849 ( 0.036 -3.310 0.071) 3.311 23.849 ( 0.036 3.310 0.071) 3.311 26.788 ( -0.468 -1.074 1.461) 1.873 26.788 ( -0.468 1.074 1.461) 1.873 27.088 ( 0.129 -0.860 -1.185) 1.470 27.088 ( 0.129 0.860 -1.185) 1.470 29.647 ( 1.202 -3.251 4.037) 5.320 29.647 ( 1.202 3.251 4.037) 5.320 30.108 ( -0.804 -6.666 -3.046) 7.373 30.108 ( -0.804 6.666 -3.046) 7.373 32.188 ( 0.703 -5.942 0.753) 6.031 32.188 ( 0.703 5.942 0.753) 6.031 32.261 ( -0.445 -6.812 -0.471) 6.843 32.261 ( -0.445 6.812 -0.471) 6.843 33.620 ( -1.015 -2.290 -0.208) 2.514 33.620 ( -1.015 2.290 -0.208) 2.514 33.680 ( 0.849 -1.797 0.228) 2.001 33.680 ( 0.849 1.797 0.228) 2.001 35.376 ( 0.455 -2.118 -0.240) 2.180 35.376 ( 0.455 2.118 -0.240) 2.180 35.477 ( -0.723 -1.369 -0.417) 1.603 35.477 ( -0.723 1.369 -0.417) 1.603 89.044 ( -2.983 -1.378 2.724) 4.268 89.044 ( -2.983 1.378 2.724) 4.268 89.316 ( 1.575 -1.548 -1.974) 2.962 89.316 ( 1.575 1.548 -1.974) 2.962 92.369 ( -0.785 -1.591 -0.104) 1.778 92.369 ( -0.785 1.591 -0.104) 1.778 92.609 ( 0.009 -0.798 1.570) 1.761 92.609 ( 0.009 0.798 1.570) 1.761 97.877 ( 1.933 -1.954 2.760) 3.895 97.877 ( 1.933 1.954 2.760) 3.895 98.109 ( -1.067 -4.937 -1.185) 5.189 98.109 ( -1.067 4.937 -1.185) 5.189 103.714 ( -0.106 -0.946 0.169) 0.967 103.714 ( -0.106 0.946 0.169) 0.967 103.907 ( 0.140 -1.539 -1.417) 2.097 103.907 ( 0.140 1.539 -1.417) 2.097 ======================= Grid point 92 (49/112) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 3.033 -9.577 6.015) 11.709 1.220 ( 3.033 9.577 6.015) 11.709 1.426 ( 2.587 -18.055 -1.347) 18.289 1.426 ( 2.587 18.055 -1.347) 18.289 1.774 ( -2.521 -9.091 3.206) 9.964 1.774 ( -2.521 9.091 3.206) 9.964 1.956 ( 1.559 -2.492 -7.912) 8.441 1.956 ( 1.559 2.492 -7.912) 8.441 2.302 ( 0.987 -5.379 8.674) 10.253 2.302 ( 0.987 5.379 8.674) 10.253 2.380 ( -4.186 -6.108 2.149) 7.710 2.380 ( -4.186 6.108 2.149) 7.710 2.648 ( 0.085 -6.719 -2.162) 7.059 2.648 ( 0.085 6.719 -2.162) 7.059 2.767 ( -5.865 -3.588 4.677) 8.316 2.767 ( -5.865 3.588 4.677) 8.316 2.963 ( -0.675 -2.992 -1.317) 3.338 2.963 ( -0.675 2.992 -1.317) 3.338 3.010 ( -4.534 -2.438 3.361) 6.147 3.010 ( -4.534 2.438 3.361) 6.147 3.287 ( 2.841 -7.082 -1.905) 7.865 3.287 ( 2.841 7.082 -1.905) 7.865 3.566 ( 4.530 -1.521 -5.792) 7.508 3.566 ( 4.530 1.521 -5.792) 7.508 4.426 ( -1.629 -1.982 3.528) 4.362 4.426 ( -1.629 1.982 3.528) 4.362 4.600 ( 3.104 -3.794 4.796) 6.858 4.600 ( 3.104 3.794 4.796) 6.858 4.723 ( -4.131 -2.014 1.816) 4.942 4.723 ( -4.131 2.014 1.816) 4.942 4.804 ( -4.147 -0.049 -1.721) 4.490 4.804 ( -4.147 0.049 -1.721) 4.490 5.087 ( -2.918 -1.985 4.639) 5.829 5.087 ( -2.918 1.985 4.639) 5.829 5.259 ( -2.198 -1.224 0.650) 2.598 5.259 ( -2.198 1.224 0.650) 2.598 5.491 ( -0.550 -4.112 -5.011) 6.505 5.491 ( -0.550 4.112 -5.011) 6.505 5.638 ( 2.281 -0.886 -2.689) 3.636 5.638 ( 2.281 0.886 -2.689) 3.636 5.926 ( -2.609 -4.739 -2.055) 5.787 5.926 ( -2.609 4.739 -2.055) 5.787 6.117 ( 13.036 -3.584 -6.769) 15.119 6.117 ( 13.036 3.584 -6.769) 15.119 6.325 ( 0.059 -3.197 3.899) 5.043 6.325 ( 0.059 3.197 3.899) 5.043 6.444 ( -1.644 -3.933 0.837) 4.344 6.444 ( -1.644 3.933 0.837) 4.344 6.707 ( -5.444 -1.935 -5.695) 8.112 6.707 ( -5.444 1.935 -5.695) 8.112 7.078 ( -1.973 -7.960 -1.687) 8.373 7.078 ( -1.973 7.960 -1.687) 8.373 7.398 ( -4.228 -3.061 0.251) 5.226 7.398 ( -4.228 3.061 0.251) 5.226 7.750 ( 4.528 -6.363 0.333) 7.817 7.750 ( 4.528 6.363 0.333) 7.817 8.353 ( 4.320 -2.444 6.990) 8.573 8.353 ( 4.320 2.444 6.990) 8.573 8.652 ( -2.363 -7.314 -9.691) 12.369 8.652 ( -2.363 7.314 -9.691) 12.369 8.914 ( -2.164 -4.176 -0.310) 4.714 8.914 ( -2.164 4.176 -0.310) 4.714 9.333 ( 5.679 -2.372 -2.410) 6.609 9.333 ( 5.679 2.372 -2.410) 6.609 10.016 ( -2.345 -3.697 0.541) 4.412 10.016 ( -2.345 3.697 0.541) 4.412 10.274 ( 1.027 -0.522 0.816) 1.412 10.274 ( 1.027 0.522 0.816) 1.412 10.583 ( 4.577 -1.839 0.203) 4.937 10.583 ( 4.577 1.839 0.203) 4.937 11.020 ( -4.552 -1.673 7.960) 9.321 11.020 ( -4.552 1.673 7.960) 9.321 21.414 ( -1.854 -2.195 2.211) 3.625 21.414 ( -1.854 2.195 2.211) 3.625 21.586 ( 0.963 -1.450 -0.270) 1.761 21.586 ( 0.963 1.450 -0.270) 1.761 22.751 ( -0.885 -0.599 0.105) 1.074 22.751 ( -0.885 0.599 0.105) 1.074 22.877 ( -0.191 -0.641 -0.329) 0.746 22.877 ( -0.191 0.641 -0.329) 0.746 23.616 ( 1.033 -3.338 -0.955) 3.622 23.616 ( 1.033 3.338 -0.955) 3.622 23.854 ( 0.402 -4.014 0.084) 4.035 23.854 ( 0.402 4.014 0.084) 4.035 26.791 ( -1.285 -1.482 1.447) 2.437 26.791 ( -1.285 1.482 1.447) 2.437 27.074 ( -0.161 -0.496 -1.121) 1.236 27.074 ( -0.161 0.496 -1.121) 1.236 29.723 ( 1.360 -2.820 5.300) 6.156 29.723 ( 1.360 2.820 5.300) 6.156 30.026 ( -3.840 -5.435 -4.413) 7.986 30.026 ( -3.840 5.435 -4.413) 7.986 32.208 ( 0.137 -5.831 0.620) 5.866 32.208 ( 0.137 5.831 0.620) 5.866 32.243 ( -0.661 -6.317 -0.334) 6.360 32.243 ( -0.661 6.317 -0.334) 6.360 33.604 ( -0.512 -1.864 -0.282) 1.954 33.604 ( -0.512 1.864 -0.282) 1.954 33.701 ( 1.274 -2.310 0.333) 2.659 33.701 ( 1.274 2.310 0.333) 2.659 35.372 ( -0.829 -1.717 -0.027) 1.907 35.372 ( -0.829 1.717 -0.027) 1.907 35.465 ( -0.019 -0.238 -0.592) 0.638 35.465 ( -0.019 0.238 -0.592) 0.638 89.040 ( -0.678 -1.530 1.998) 2.606 89.040 ( -0.678 1.530 1.998) 2.606 89.345 ( 4.150 -2.720 -1.508) 5.186 89.345 ( 4.150 2.720 -1.508) 5.186 92.355 ( -0.836 -1.821 -0.048) 2.005 92.355 ( -0.836 1.821 -0.048) 2.005 92.623 ( -0.347 -1.249 1.754) 2.181 92.623 ( -0.347 1.249 1.754) 2.181 97.951 ( 1.945 -3.138 3.242) 4.914 97.951 ( 1.945 3.138 3.242) 4.914 98.065 ( -1.620 -3.939 -1.796) 4.623 98.065 ( -1.620 3.939 -1.796) 4.623 103.712 ( -0.322 -0.569 0.161) 0.673 103.712 ( -0.322 0.569 0.161) 0.673 103.888 ( -0.545 -1.051 -1.354) 1.799 103.888 ( -0.545 1.051 -1.354) 1.799 ======================= Grid point 94 (50/112) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -3.206 -9.883 1.970) 10.575 1.284 ( -3.206 9.883 1.971) 10.575 1.437 ( 1.683 -12.782 -0.904) 12.924 1.437 ( 1.683 12.782 -0.904) 12.924 1.778 ( 1.085 -7.341 1.477) 7.567 1.778 ( 1.085 7.341 1.477) 7.567 1.940 ( 6.543 -4.768 -7.072) 10.750 1.940 ( 6.543 4.768 -7.072) 10.750 2.270 ( -5.787 -6.523 0.736) 8.751 2.270 ( -5.787 6.523 0.736) 8.751 2.438 ( -3.256 -6.517 6.880) 10.020 2.438 ( -3.256 6.517 6.880) 10.020 2.643 ( -0.485 -3.491 0.178) 3.529 2.643 ( -0.485 3.491 0.178) 3.529 2.697 ( -6.090 -2.871 6.472) 9.339 2.697 ( -6.090 2.871 6.472) 9.339 2.926 ( -1.183 -5.893 -1.417) 6.176 2.926 ( -1.183 5.893 -1.417) 6.176 3.008 ( -1.791 -4.790 4.562) 6.853 3.008 ( -1.791 4.790 4.562) 6.853 3.303 ( 2.101 -7.579 -2.195) 8.165 3.303 ( 2.101 7.579 -2.195) 8.165 3.574 ( 4.909 -1.735 -7.055) 8.768 3.574 ( 4.909 1.735 -7.055) 8.768 4.421 ( -3.407 -4.126 3.303) 6.288 4.421 ( -3.407 4.126 3.303) 6.288 4.641 ( -4.921 -2.059 -0.844) 5.400 4.641 ( -4.921 2.059 -0.844) 5.400 4.688 ( -1.788 -2.252 2.737) 3.970 4.688 ( -1.788 2.252 2.737) 3.970 4.757 ( 0.694 -5.029 1.652) 5.339 4.757 ( 0.694 5.029 1.652) 5.339 5.068 ( -3.520 -4.947 3.328) 6.923 5.068 ( -3.520 4.947 3.328) 6.923 5.223 ( -3.061 -0.720 -1.335) 3.416 5.223 ( -3.061 0.720 -1.335) 3.416 5.461 ( 0.499 -3.808 0.045) 3.841 5.461 ( 0.499 3.808 0.045) 3.841 5.630 ( 1.762 -1.283 -4.561) 5.055 5.630 ( 1.762 1.283 -4.561) 5.055 5.813 ( -4.040 -4.804 -5.218) 8.163 5.813 ( -4.040 4.804 -5.218) 8.163 6.198 ( -0.798 -5.381 -6.598) 8.551 6.198 ( -0.798 5.381 -6.598) 8.551 6.358 ( -0.452 -3.263 1.873) 3.789 6.358 ( -0.452 3.263 1.873) 3.789 6.430 ( 6.205 -1.979 0.318) 6.521 6.430 ( 6.205 1.979 0.318) 6.521 6.694 ( 3.144 -1.656 3.655) 5.098 6.694 ( 3.144 1.656 3.655) 5.098 7.070 ( 0.574 -2.927 1.862) 3.516 7.070 ( 0.574 2.927 1.862) 3.516 7.314 ( -4.072 -3.464 -0.871) 5.416 7.314 ( -4.072 3.464 -0.871) 5.416 7.866 ( 6.335 -9.701 2.050) 11.766 7.866 ( 6.335 9.701 2.050) 11.766 8.424 ( -2.069 -0.939 0.039) 2.272 8.424 ( -2.069 0.939 0.039) 2.272 8.493 ( -2.726 -6.999 -6.856) 10.170 8.493 ( -2.726 6.999 -6.856) 10.170 8.902 ( -0.056 -3.339 0.416) 3.366 8.902 ( -0.056 3.339 0.416) 3.366 9.404 ( 6.237 -2.797 -2.681) 7.343 9.404 ( 6.237 2.797 -2.681) 7.343 10.004 ( -0.386 -3.057 1.364) 3.369 10.004 ( -0.386 3.057 1.364) 3.369 10.293 ( 0.476 -2.677 0.398) 2.748 10.293 ( 0.476 2.677 0.398) 2.748 10.642 ( 2.735 -1.428 -1.121) 3.283 10.642 ( 2.735 1.428 -1.121) 3.283 11.028 ( -4.102 -4.376 6.910) 9.150 11.028 ( -4.102 4.376 6.910) 9.150 21.406 ( -1.840 -2.278 1.761) 3.417 21.406 ( -1.840 2.278 1.761) 3.417 21.598 ( 0.793 -1.136 -0.287) 1.414 21.598 ( 0.793 1.136 -0.287) 1.414 22.736 ( -1.072 -1.268 0.081) 1.663 22.736 ( -1.072 1.268 0.081) 1.663 22.869 ( -0.395 -0.571 -0.206) 0.724 22.869 ( -0.395 0.571 -0.206) 0.724 23.627 ( 1.462 -3.250 -0.715) 3.635 23.627 ( 1.462 3.250 -0.715) 3.635 23.864 ( 0.712 -4.980 0.137) 5.033 23.864 ( 0.712 4.980 0.137) 5.033 26.776 ( -2.025 -1.710 0.809) 2.772 26.776 ( -2.025 1.710 0.809) 2.772 27.064 ( 0.034 -0.634 -0.382) 0.741 27.064 ( 0.034 0.634 -0.382) 0.741 29.783 ( -0.229 -2.293 2.843) 3.660 29.783 ( -0.229 2.293 2.843) 3.660 29.915 ( -4.108 -3.106 -2.616) 5.776 29.915 ( -4.108 3.106 -2.616) 5.776 32.189 ( -1.508 -5.902 -0.781) 6.141 32.189 ( -1.508 5.902 -0.781) 6.141 32.248 ( 0.341 -6.375 0.757) 6.429 32.248 ( 0.341 6.375 0.757) 6.429 33.599 ( -0.010 -2.272 0.073) 2.273 33.599 ( -0.010 2.272 0.073) 2.273 33.725 ( 1.377 -3.232 0.094) 3.514 33.725 ( 1.377 3.232 0.094) 3.514 35.354 ( -1.202 -0.953 0.014) 1.533 35.354 ( -1.202 0.953 0.014) 1.533 35.464 ( 0.385 -0.735 -0.175) 0.848 35.464 ( 0.385 0.735 -0.175) 0.848 89.061 ( 0.682 -1.418 1.692) 2.311 89.061 ( 0.682 1.418 1.692) 2.311 89.408 ( 5.050 -3.772 -1.006) 6.383 89.408 ( 5.050 3.772 -1.006) 6.383 92.344 ( -0.661 -2.312 0.359) 2.431 92.344 ( -0.661 2.312 0.359) 2.431 92.637 ( -0.206 -2.699 1.445) 3.069 92.637 ( -0.206 2.699 1.445) 3.069 97.948 ( -2.522 -1.678 -1.775) 3.511 97.948 ( -2.522 1.678 -1.775) 3.511 98.073 ( 1.857 -6.377 1.970) 6.928 98.073 ( 1.857 6.377 1.970) 6.928 103.707 ( -0.429 -0.121 0.130) 0.464 103.707 ( -0.429 0.121 0.130) 0.464 103.866 ( -0.584 -0.772 -0.780) 1.244 103.866 ( -0.584 0.772 -0.780) 1.244 ======================= Grid point 96 (51/112) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -6.206 -9.119 -4.104) 11.769 1.171 ( -6.206 9.120 -4.104) 11.769 1.476 ( 0.150 -6.555 4.331) 7.858 1.476 ( 0.150 6.555 4.331) 7.858 1.855 ( 7.111 -9.531 -0.807) 11.919 1.855 ( 7.111 9.531 -0.807) 11.919 1.977 ( 4.549 -4.136 -4.958) 7.898 1.977 ( 4.549 4.136 -4.958) 7.898 2.183 ( -4.130 -3.211 -1.159) 5.358 2.183 ( -4.130 3.211 -1.159) 5.358 2.387 ( -7.313 -7.259 3.961) 11.039 2.387 ( -7.313 7.259 3.961) 11.039 2.592 ( -3.858 -3.194 -0.158) 5.011 2.592 ( -3.858 3.194 -0.158) 5.011 2.698 ( -2.469 -2.148 -0.562) 3.321 2.698 ( -2.469 2.148 -0.562) 3.321 2.956 ( -0.404 -4.558 6.087) 7.615 2.956 ( -0.404 4.558 6.087) 7.615 3.043 ( 1.533 -2.766 4.796) 5.744 3.043 ( 1.533 2.766 4.796) 5.745 3.303 ( 0.874 -6.684 -2.358) 7.142 3.303 ( 0.874 6.684 -2.358) 7.142 3.578 ( 4.396 -2.839 -5.431) 7.542 3.578 ( 4.396 2.839 -5.431) 7.542 4.398 ( -3.187 -4.987 2.757) 6.529 4.398 ( -3.187 4.987 2.757) 6.529 4.558 ( -5.064 -2.052 0.583) 5.495 4.558 ( -5.064 2.052 0.583) 5.495 4.629 ( -2.842 -0.838 -1.839) 3.487 4.629 ( -2.842 0.838 -1.839) 3.487 4.820 ( 0.954 -6.912 2.887) 7.551 4.820 ( 0.954 6.912 2.887) 7.551 5.070 ( -1.098 -5.821 2.612) 6.474 5.070 ( -1.098 5.821 2.612) 6.474 5.159 ( -0.974 -1.006 -1.838) 2.310 5.159 ( -0.974 1.006 -1.838) 2.310 5.438 ( -4.568 -1.465 0.903) 4.882 5.438 ( -4.568 1.465 0.903) 4.882 5.627 ( 3.443 -2.961 -3.419) 5.684 5.627 ( 3.443 2.961 -3.419) 5.684 5.732 ( -1.278 -2.275 -1.677) 3.102 5.732 ( -1.278 2.275 -1.677) 3.102 6.045 ( -5.506 -6.049 -4.932) 9.551 6.045 ( -5.506 6.049 -4.932) 9.551 6.401 ( 2.660 -5.025 -1.798) 5.963 6.401 ( 2.660 5.025 -1.798) 5.963 6.529 ( 3.355 -2.409 1.587) 4.425 6.529 ( 3.355 2.409 1.587) 4.425 6.818 ( 6.354 -4.012 3.663) 8.360 6.818 ( 6.354 4.012 3.663) 8.360 7.113 ( -1.151 -3.417 4.910) 6.091 7.113 ( -1.151 3.417 4.910) 6.091 7.283 ( -0.138 -0.522 1.883) 1.959 7.283 ( -0.138 0.522 1.883) 1.959 7.935 ( 0.099 -7.775 -0.467) 7.789 7.935 ( 0.099 7.775 -0.467) 7.789 8.329 ( 1.407 -4.905 -7.275) 8.886 8.329 ( 1.407 4.905 -7.275) 8.886 8.465 ( -2.286 -3.935 3.317) 5.631 8.465 ( -2.286 3.935 3.317) 5.631 8.902 ( -0.200 -6.690 -0.226) 6.697 8.902 ( -0.200 6.690 -0.226) 6.697 9.465 ( 5.115 -4.182 -3.197) 7.340 9.465 ( 5.115 4.182 -3.197) 7.340 10.025 ( 0.166 -1.069 2.380) 2.614 10.025 ( 0.166 1.069 2.380) 2.614 10.300 ( 0.933 -4.859 -1.056) 5.059 10.300 ( 0.933 4.859 -1.056) 5.059 10.640 ( -0.959 -4.800 -1.339) 5.075 10.640 ( -0.959 4.800 -1.339) 5.075 11.035 ( -2.030 -7.394 2.919) 8.204 11.035 ( -2.030 7.394 2.919) 8.204 21.395 ( -1.570 -2.514 1.468) 3.308 21.395 ( -1.570 2.514 1.468) 3.308 21.604 ( 0.585 -0.903 -0.713) 1.291 21.604 ( 0.585 0.903 -0.713) 1.291 22.720 ( -0.806 -1.776 -0.000) 1.950 22.720 ( -0.806 1.776 -0.000) 1.950 22.862 ( -0.375 -0.393 -0.001) 0.543 22.862 ( -0.375 0.393 -0.001) 0.543 23.645 ( 1.318 -3.148 -0.281) 3.424 23.645 ( 1.318 3.148 -0.281) 3.424 23.877 ( 0.652 -5.759 0.041) 5.796 23.877 ( 0.652 5.759 0.041) 5.796 26.750 ( -1.831 -1.648 0.493) 2.513 26.750 ( -1.831 1.648 0.493) 2.513 27.063 ( -0.008 -0.938 -0.188) 0.957 27.063 ( -0.008 0.938 -0.188) 0.957 29.758 ( -1.720 -3.348 -2.332) 4.428 29.758 ( -1.720 3.348 -2.332) 4.428 29.871 ( -2.174 -3.808 2.062) 4.846 29.871 ( -2.174 3.808 2.062) 4.846 32.161 ( -1.054 -5.560 -0.451) 5.677 32.161 ( -1.054 5.560 -0.451) 5.677 32.256 ( -0.043 -6.418 0.225) 6.422 32.256 ( -0.043 6.418 0.225) 6.422 33.603 ( 0.118 -2.771 0.483) 2.815 33.603 ( 0.118 2.771 0.483) 2.815 33.745 ( 1.101 -3.816 -0.314) 3.984 33.745 ( 1.101 3.816 -0.314) 3.984 35.338 ( -0.807 -0.510 0.020) 0.954 35.338 ( -0.807 0.510 0.020) 0.954 35.470 ( 0.225 -0.957 0.184) 1.000 35.470 ( 0.225 0.957 0.184) 1.000 89.093 ( 0.704 -1.182 1.933) 2.372 89.093 ( 0.704 1.182 1.933) 2.372 89.474 ( 4.026 -4.463 -0.739) 6.056 89.474 ( 4.026 4.463 -0.739) 6.056 92.341 ( -0.467 -2.718 0.760) 2.860 92.341 ( -0.467 2.718 0.760) 2.860 92.643 ( -0.307 -3.092 0.225) 3.115 92.643 ( -0.307 3.092 0.225) 3.115 97.890 ( -1.668 -0.589 -1.635) 2.408 97.890 ( -1.668 0.589 -1.635) 2.408 98.115 ( 0.931 -7.103 0.968) 7.229 98.115 ( 0.931 7.103 0.968) 7.229 103.702 ( -0.354 -0.456 0.133) 0.593 103.702 ( -0.354 0.456 0.133) 0.593 103.853 ( -0.364 -0.710 -0.278) 0.845 103.853 ( -0.364 0.710 -0.278) 0.845 ======================= Grid point 98 (52/112) ======================= q-point: ( 0.44 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.718 -8.049 -2.171) 8.368 1.073 ( -0.718 8.049 -2.171) 8.368 1.534 ( -0.080 -4.434 6.524) 7.889 1.534 ( -0.080 4.434 6.524) 7.889 1.914 ( -0.649 -3.058 -6.544) 7.252 1.914 ( -0.649 3.058 -6.544) 7.252 1.967 ( 4.179 -3.395 -0.824) 5.447 1.967 ( 4.179 3.395 -0.824) 5.447 2.155 ( 2.440 -1.135 -2.727) 3.831 2.155 ( 2.440 1.135 -2.727) 3.831 2.334 ( -4.124 -7.701 3.409) 9.377 2.334 ( -4.124 7.701 3.409) 9.377 2.523 ( -3.637 -3.882 -0.531) 5.346 2.523 ( -3.637 3.882 -0.531) 5.346 2.639 ( -1.125 -0.786 -3.642) 3.892 2.639 ( -1.125 0.786 -3.642) 3.892 2.963 ( -2.945 -4.500 1.525) 5.590 2.963 ( -2.945 4.500 1.525) 5.590 3.101 ( -2.245 -1.712 1.243) 3.085 3.101 ( -2.245 1.712 1.243) 3.085 3.328 ( 2.590 -3.682 3.965) 5.999 3.328 ( 2.590 3.682 3.965) 5.999 3.609 ( 4.482 -3.423 -1.952) 5.968 3.609 ( 4.482 3.423 -1.952) 5.968 4.380 ( -2.311 -4.897 2.034) 5.784 4.380 ( -2.311 4.897 2.034) 5.784 4.512 ( -2.482 -2.178 3.481) 4.798 4.512 ( -2.482 2.178 3.481) 4.798 4.584 ( -0.335 -0.521 -1.979) 2.074 4.584 ( -0.335 0.521 -1.979) 2.074 4.830 ( -1.449 -5.486 0.570) 5.702 4.830 ( -1.449 5.486 0.570) 5.702 5.049 ( -1.250 -4.810 -2.890) 5.749 5.049 ( -1.250 4.810 -2.890) 5.749 5.177 ( 1.701 -4.103 1.615) 4.726 5.177 ( 1.701 4.103 1.615) 4.726 5.391 ( -2.579 -2.251 3.784) 5.102 5.391 ( -2.579 2.251 3.784) 5.102 5.659 ( 3.920 -3.608 -1.152) 5.450 5.659 ( 3.920 3.608 -1.152) 5.450 5.714 ( 0.021 -2.425 -0.827) 2.562 5.714 ( 0.021 2.425 -0.827) 2.562 5.961 ( -0.942 -2.996 -1.094) 3.325 5.961 ( -0.942 2.996 -1.094) 3.325 6.378 ( 0.656 -4.989 -7.383) 8.935 6.378 ( 0.656 4.989 -7.383) 8.935 6.574 ( 0.019 -1.790 2.504) 3.078 6.574 ( 0.019 1.790 2.504) 3.078 6.935 ( 2.899 -6.086 2.062) 7.050 6.935 ( 2.899 6.086 2.062) 7.050 7.128 ( -2.465 -4.286 5.105) 7.107 7.128 ( -2.465 4.286 5.105) 7.107 7.313 ( -1.769 -1.013 3.756) 4.273 7.313 ( -1.769 1.013 3.756) 4.273 7.913 ( 0.445 -5.725 -0.467) 5.761 7.913 ( 0.445 5.725 -0.467) 5.761 8.305 ( 2.300 -3.416 -5.570) 6.927 8.305 ( 2.300 3.416 -5.570) 6.927 8.492 ( -0.385 -4.691 6.049) 7.665 8.492 ( -0.385 4.691 6.049) 7.665 8.899 ( 0.375 -7.772 -0.118) 7.782 8.899 ( 0.375 7.772 -0.118) 7.782 9.496 ( 3.230 -5.393 -3.612) 7.250 9.496 ( 3.230 5.393 -3.612) 7.250 10.045 ( -1.373 -3.387 2.450) 4.400 10.045 ( -1.373 3.387 2.450) 4.400 10.307 ( 2.054 -5.946 -2.004) 6.602 10.307 ( 2.054 5.946 -2.004) 6.602 10.603 ( -1.434 -6.419 -0.904) 6.639 10.603 ( -1.434 6.419 -0.904) 6.639 11.008 ( -2.157 -8.568 -2.283) 9.126 11.008 ( -2.157 8.568 -2.283) 9.126 21.388 ( -1.174 -2.723 1.385) 3.273 21.388 ( -1.174 2.723 1.385) 3.273 21.601 ( 0.420 -0.976 -1.336) 1.707 21.601 ( 0.420 0.976 -1.336) 1.707 22.711 ( -0.274 -1.814 -0.021) 1.834 22.711 ( -0.274 1.814 -0.021) 1.834 22.858 ( -0.162 -0.146 0.128) 0.253 22.858 ( -0.162 0.146 0.128) 0.253 23.661 ( 0.715 -3.262 0.267) 3.351 23.661 ( 0.715 3.262 0.267) 3.351 23.883 ( 0.185 -6.067 -0.235) 6.075 23.883 ( 0.185 6.067 -0.235) 6.075 26.735 ( -0.794 -1.566 0.750) 1.909 26.735 ( -0.794 1.566 0.750) 1.909 27.057 ( -0.116 -0.969 -0.741) 1.226 27.057 ( -0.116 0.969 -0.741) 1.226 29.730 ( 0.903 -3.687 -0.749) 3.869 29.730 ( 0.903 3.687 -0.749) 3.869 29.850 ( -2.335 -4.517 0.290) 5.093 29.850 ( -2.335 4.517 0.290) 5.093 32.150 ( -0.081 -5.382 0.279) 5.390 32.150 ( -0.081 5.382 0.279) 5.390 32.252 ( -0.245 -6.323 -0.474) 6.345 32.252 ( -0.245 6.323 -0.474) 6.345 33.611 ( -0.090 -3.024 0.867) 3.147 33.611 ( -0.090 3.024 0.867) 3.147 33.752 ( 0.486 -4.002 -0.807) 4.111 33.752 ( 0.486 4.002 -0.807) 4.111 35.329 ( -0.303 -0.336 0.013) 0.453 35.329 ( -0.303 0.336 0.013) 0.453 35.474 ( 0.007 -0.889 0.341) 0.952 35.474 ( 0.007 0.889 0.341) 0.952 89.121 ( -0.260 -1.011 2.534) 2.741 89.121 ( -0.260 1.011 2.534) 2.741 89.513 ( 1.688 -4.508 -0.811) 4.881 89.513 ( 1.688 4.508 -0.811) 4.881 92.344 ( -0.445 -2.770 1.117) 3.020 92.344 ( -0.445 2.770 1.117) 3.020 92.629 ( -0.463 -2.506 -1.541) 2.978 92.629 ( -0.463 2.506 -1.541) 2.978 97.871 ( 0.425 -0.449 0.142) 0.635 97.871 ( 0.425 0.449 0.142) 0.635 98.119 ( -0.398 -6.922 -0.939) 6.997 98.119 ( -0.398 6.922 -0.939) 6.997 103.700 ( -0.173 -0.538 0.167) 0.589 103.700 ( -0.173 0.538 0.167) 0.589 103.848 ( -0.023 -0.658 -0.015) 0.658 103.848 ( -0.023 0.658 -0.015) 0.658 ======================= Grid point 100 (53/112) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 3.491 -8.140 -0.432) 8.868 1.092 ( 3.491 8.140 -0.432) 8.868 1.600 ( -1.638 -4.033 6.278) 7.640 1.600 ( -1.638 4.033 6.278) 7.640 1.825 ( 2.093 -5.575 -8.233) 10.161 1.825 ( 2.093 5.575 -8.233) 10.161 2.023 ( 1.500 -4.660 0.958) 4.988 2.023 ( 1.500 4.660 0.958) 4.988 2.144 ( -1.053 -1.003 -0.921) 1.721 2.144 ( -1.053 1.003 -0.921) 1.721 2.328 ( 0.746 -7.302 0.553) 7.361 2.328 ( 0.746 7.302 0.553) 7.361 2.483 ( -0.963 -4.636 -1.531) 4.976 2.483 ( -0.963 4.636 -1.531) 4.976 2.591 ( 0.479 -2.524 -3.267) 4.156 2.591 ( 0.479 2.524 -3.267) 4.156 2.902 ( -4.714 -5.428 -0.608) 7.215 2.902 ( -4.714 5.428 -0.608) 7.215 3.054 ( -1.326 -1.152 -1.216) 2.137 3.054 ( -1.326 1.152 -1.216) 2.137 3.408 ( -0.482 -3.267 5.493) 6.409 3.408 ( -0.482 3.267 5.493) 6.409 3.671 ( 3.643 -3.750 0.259) 5.235 3.671 ( 3.643 3.750 0.259) 5.235 4.372 ( -1.825 -4.679 2.892) 5.795 4.372 ( -1.825 4.679 2.892) 5.795 4.545 ( -0.212 -2.707 3.256) 4.240 4.545 ( -0.212 2.707 3.256) 4.240 4.578 ( 2.943 -1.140 -1.210) 3.380 4.578 ( 2.943 1.140 -1.210) 3.380 4.811 ( -1.531 -5.870 0.716) 6.108 4.811 ( -1.531 5.870 0.716) 6.108 4.978 ( -2.006 -3.251 -3.726) 5.336 4.978 ( -2.006 3.251 -3.726) 5.336 5.213 ( 1.689 -4.028 -0.416) 4.388 5.213 ( 1.689 4.028 -0.416) 4.388 5.453 ( 2.824 -2.740 6.038) 7.207 5.453 ( 2.824 2.740 6.038) 7.207 5.690 ( -0.516 -3.304 -0.917) 3.468 5.690 ( -0.516 3.304 -0.917) 3.468 5.746 ( 4.401 -2.507 2.509) 5.653 5.746 ( 4.401 2.507 2.509) 5.653 5.983 ( 4.550 -0.927 -0.756) 4.704 5.983 ( 4.550 0.927 -0.756) 4.704 6.271 ( -0.674 -3.634 -11.871) 12.433 6.271 ( -0.674 3.634 -11.871) 12.433 6.592 ( -1.628 -1.917 3.483) 4.296 6.592 ( -1.628 1.917 3.483) 4.296 6.930 ( -4.747 -5.157 1.414) 7.151 6.930 ( -4.747 5.157 1.414) 7.151 7.170 ( -1.775 -2.375 7.736) 8.285 7.170 ( -1.775 2.375 7.736) 8.285 7.301 ( -2.542 -2.752 2.287) 4.389 7.301 ( -2.542 2.752 2.287) 4.389 7.937 ( 0.575 -6.845 0.371) 6.879 7.937 ( 0.575 6.845 0.371) 6.879 8.280 ( 2.288 -4.119 -5.236) 7.045 8.280 ( 2.288 4.119 -5.236) 7.045 8.566 ( 0.917 -4.453 6.792) 8.174 8.566 ( 0.917 4.453 6.792) 8.174 8.919 ( 1.072 -5.092 1.436) 5.398 8.919 ( 1.072 5.092 1.436) 5.398 9.489 ( 1.185 -5.501 -4.387) 7.135 9.489 ( 1.185 5.501 -4.387) 7.135 10.034 ( -2.567 -3.978 1.971) 5.128 10.034 ( -2.567 3.978 1.971) 5.128 10.315 ( 1.055 -4.451 -1.754) 4.899 10.315 ( 1.055 4.451 -1.754) 4.899 10.599 ( 1.939 -5.383 0.168) 5.724 10.599 ( 1.939 5.383 0.168) 5.724 10.914 ( -3.610 -8.396 -6.504) 11.218 10.914 ( -3.610 8.396 -6.504) 11.218 21.388 ( -0.831 -2.867 1.476) 3.330 21.388 ( -0.831 2.867 1.476) 3.330 21.590 ( 0.393 -1.357 -1.807) 2.294 21.590 ( 0.393 1.357 -1.807) 2.294 22.711 ( 0.268 -1.343 -0.031) 1.370 22.711 ( 0.268 1.343 -0.031) 1.370 22.860 ( 0.195 -0.295 0.203) 0.408 22.860 ( 0.195 0.295 0.203) 0.408 23.671 ( -0.176 -3.542 0.611) 3.598 23.671 ( -0.176 3.542 0.611) 3.598 23.878 ( -0.319 -5.799 -0.434) 5.824 23.878 ( -0.319 5.799 -0.434) 5.824 26.740 ( 0.201 -1.562 0.972) 1.851 26.740 ( 0.201 1.562 0.972) 1.851 27.047 ( 0.304 -0.633 -1.102) 1.307 27.047 ( 0.304 0.633 -1.102) 1.307 29.759 ( 0.563 -4.196 0.153) 4.237 29.759 ( 0.563 4.196 0.153) 4.237 29.817 ( 1.067 -4.136 -0.747) 4.337 29.817 ( 1.067 4.136 -0.747) 4.337 32.163 ( 0.847 -5.619 0.939) 5.759 32.163 ( 0.847 5.619 0.939) 5.759 32.240 ( -0.275 -6.329 -1.116) 6.433 32.240 ( -0.275 6.329 -1.116) 6.433 33.618 ( -0.428 -2.934 1.221) 3.207 33.618 ( -0.428 2.934 1.221) 3.207 33.743 ( -0.184 -3.839 -1.210) 4.029 33.743 ( -0.184 3.839 -1.210) 4.029 35.328 ( 0.188 -0.310 -0.027) 0.364 35.328 ( 0.188 0.310 -0.027) 0.364 35.478 ( -0.073 -0.778 0.466) 0.910 35.478 ( -0.073 0.778 0.466) 0.910 89.136 ( -1.761 -1.245 3.174) 3.837 89.136 ( -1.761 1.245 3.174) 3.837 89.509 ( -0.898 -3.756 -1.058) 4.005 89.509 ( -0.898 3.756 -1.058) 4.005 92.351 ( -0.474 -2.479 1.601) 2.989 92.351 ( -0.474 2.479 1.601) 2.989 92.599 ( -0.211 -1.838 -2.821) 3.373 92.599 ( -0.211 1.838 -2.821) 3.373 97.903 ( 2.021 -0.979 1.659) 2.792 97.903 ( 2.021 0.979 1.659) 2.792 98.085 ( -1.390 -6.181 -2.541) 6.826 98.085 ( -1.390 6.181 -2.541) 6.826 103.700 ( 0.018 -0.259 0.190) 0.321 103.700 ( 0.018 0.259 0.190) 0.321 103.852 ( 0.481 -0.604 0.120) 0.781 103.852 ( 0.481 0.604 0.120) 0.781 ======================= Grid point 102 (54/112) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 1.795 -10.618 -1.256) 10.842 1.131 ( 1.795 10.618 -1.256) 10.842 1.576 ( -2.004 -1.159 -5.085) 5.587 1.576 ( -2.004 1.159 -5.085) 5.587 1.799 ( -2.323 -7.686 1.967) 8.267 1.799 ( -2.323 7.686 1.967) 8.267 2.067 ( 0.648 -3.680 3.019) 4.803 2.067 ( 0.648 3.680 3.019) 4.803 2.145 ( 3.280 -1.671 0.140) 3.684 2.145 ( 3.280 1.671 0.140) 3.684 2.351 ( 1.477 -8.239 -2.142) 8.640 2.351 ( 1.477 8.239 -2.142) 8.640 2.431 ( -0.985 -7.158 -0.749) 7.264 2.431 ( -0.985 7.158 -0.749) 7.264 2.606 ( 4.189 -2.998 -2.146) 5.581 2.606 ( 4.189 2.998 -2.146) 5.581 2.838 ( -0.987 -2.172 -1.847) 3.017 2.838 ( -0.987 2.172 -1.847) 3.017 3.042 ( -0.454 -2.305 1.251) 2.662 3.042 ( -0.454 2.305 1.251) 2.662 3.424 ( -2.786 -3.570 2.808) 5.328 3.424 ( -2.786 3.570 2.808) 5.328 3.706 ( 0.222 -3.189 -0.077) 3.198 3.706 ( 0.222 3.189 -0.077) 3.198 4.378 ( -1.602 -4.341 2.530) 5.274 4.378 ( -1.602 4.341 2.530) 5.274 4.547 ( 1.327 -4.073 -3.180) 5.335 4.547 ( 1.327 4.073 -3.180) 5.335 4.638 ( 1.053 -0.888 2.854) 3.169 4.638 ( 1.053 0.888 2.854) 3.169 4.804 ( -0.634 -2.365 3.099) 3.949 4.804 ( -0.634 2.365 3.099) 3.949 4.950 ( 2.244 -2.368 -1.693) 3.675 4.950 ( 2.244 2.368 -1.693) 3.675 5.225 ( 0.686 -1.809 -0.512) 2.001 5.225 ( 0.686 1.809 -0.512) 2.001 5.557 ( 1.466 -5.613 4.548) 7.371 5.557 ( 1.466 5.613 4.548) 7.371 5.680 ( 1.411 -1.553 -0.866) 2.270 5.680 ( 1.411 1.553 -0.866) 2.270 5.853 ( 3.549 -2.965 2.903) 5.460 5.853 ( 3.549 2.965 2.903) 5.460 6.051 ( 6.277 -1.043 -7.210) 9.616 6.051 ( 6.277 1.043 -7.210) 9.616 6.147 ( 2.773 -2.670 -8.502) 9.333 6.147 ( 2.773 2.670 -8.502) 9.333 6.598 ( -2.847 -4.117 3.919) 6.357 6.598 ( -2.847 4.117 3.919) 6.357 6.868 ( -5.897 -4.309 5.197) 8.964 6.868 ( -5.897 4.309 5.197) 8.964 7.200 ( -4.595 -5.173 7.571) 10.257 7.200 ( -4.595 5.173 7.571) 10.257 7.317 ( 0.956 -4.863 2.673) 5.631 7.317 ( 0.956 4.863 2.673) 5.631 7.907 ( -3.401 -7.031 -0.896) 7.861 7.907 ( -3.401 7.031 -0.896) 7.861 8.249 ( 0.994 -4.391 -6.828) 8.178 8.249 ( 0.994 4.391 -6.828) 8.178 8.679 ( 4.389 -5.404 6.198) 9.321 8.679 ( 4.389 5.404 6.198) 9.321 8.947 ( -0.850 -4.145 2.529) 4.929 8.947 ( -0.850 4.145 2.529) 4.929 9.441 ( -0.346 -4.668 -5.377) 7.129 9.441 ( -0.346 4.668 -5.377) 7.129 10.020 ( -1.864 -3.440 2.784) 4.802 10.020 ( -1.864 3.440 2.784) 4.802 10.300 ( -0.596 -1.867 -1.353) 2.382 10.300 ( -0.596 1.867 -1.353) 2.382 10.667 ( 4.140 -2.501 2.274) 5.344 10.667 ( 4.140 2.501 2.274) 5.344 10.766 ( -3.774 -7.807 -8.550) 12.178 10.766 ( -3.774 7.807 -8.550) 12.178 21.393 ( -0.700 -2.999 1.724) 3.529 21.393 ( -0.700 2.999 1.724) 3.529 21.577 ( 0.543 -1.756 -1.903) 2.646 21.577 ( 0.543 1.756 -1.903) 2.646 22.719 ( 0.706 -0.603 -0.076) 0.932 22.719 ( 0.706 0.603 -0.076) 0.932 22.868 ( 0.508 -0.850 0.246) 1.020 22.868 ( 0.508 0.850 0.246) 1.020 23.667 ( -1.000 -3.727 0.481) 3.889 23.667 ( -1.000 3.727 0.481) 3.889 23.866 ( -0.507 -5.021 -0.342) 5.058 23.866 ( -0.507 5.021 -0.342) 5.058 26.756 ( 0.453 -1.442 0.742) 1.684 26.756 ( 0.453 1.442 0.742) 1.684 27.049 ( 1.231 -0.503 -0.677) 1.492 27.049 ( 1.231 0.503 -0.677) 1.492 29.709 ( -2.662 -3.577 -2.744) 5.235 29.709 ( -2.662 3.577 -2.744) 5.235 29.904 ( 6.378 -4.985 1.962) 8.330 29.904 ( 6.378 4.985 1.962) 8.330 32.192 ( 1.020 -6.023 0.927) 6.179 32.192 ( 1.020 6.023 0.927) 6.179 32.222 ( 0.033 -6.422 -1.243) 6.541 32.222 ( 0.033 6.422 -1.243) 6.541 33.624 ( -0.666 -2.512 1.482) 2.992 33.624 ( -0.666 2.512 1.482) 2.992 33.722 ( -0.618 -3.299 -1.377) 3.628 33.722 ( -0.618 3.299 -1.377) 3.628 35.335 ( 0.731 -0.569 -0.122) 0.934 35.335 ( 0.731 0.569 -0.122) 0.934 35.483 ( -0.074 -0.728 0.661) 0.986 35.483 ( -0.074 0.728 0.661) 0.986 89.132 ( -3.312 -1.673 3.565) 5.146 89.132 ( -3.312 1.673 3.565) 5.146 89.465 ( -2.781 -2.414 -1.299) 3.905 89.465 ( -2.781 2.414 -1.299) 3.905 92.364 ( -0.444 -2.195 2.080) 3.056 92.364 ( -0.444 2.195 2.080) 3.056 92.570 ( 0.539 -1.556 -2.742) 3.198 92.570 ( 0.539 1.556 -2.742) 3.198 97.945 ( 0.413 -0.943 -0.251) 1.060 97.945 ( 0.413 0.943 -0.251) 1.060 98.041 ( 0.057 -3.272 -1.059) 3.440 98.041 ( 0.057 3.272 -1.059) 3.440 103.704 ( 0.150 -0.286 0.179) 0.369 103.704 ( 0.150 0.286 0.179) 0.369 103.867 ( 1.108 -0.705 0.171) 1.324 103.867 ( 1.108 0.705 0.171) 1.324 ======================= Grid point 104 (55/112) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -1.063 -10.425 -1.437) 10.577 1.120 ( -1.063 10.425 -1.437) 10.577 1.462 ( -2.656 -11.216 -6.544) 13.254 1.462 ( -2.656 11.216 -6.544) 13.254 1.799 ( -2.060 -4.903 4.047) 6.683 1.799 ( -2.060 4.903 4.047) 6.683 2.052 ( -2.069 -2.584 -0.815) 3.409 2.052 ( -2.069 2.584 -0.815) 3.409 2.195 ( -2.715 -0.268 3.134) 4.156 2.195 ( -2.715 0.268 3.134) 4.156 2.389 ( 3.594 -1.664 3.977) 5.612 2.389 ( 3.594 1.664 3.977) 5.612 2.475 ( 8.057 -2.482 -4.033) 9.346 2.475 ( 8.057 2.482 -4.033) 9.346 2.670 ( 5.666 -4.237 0.541) 7.095 2.670 ( 5.666 4.237 0.541) 7.095 2.822 ( 1.731 -2.418 -2.915) 4.164 2.822 ( 1.731 2.418 -2.915) 4.164 3.058 ( -0.498 -4.707 2.511) 5.358 3.058 ( -0.498 4.707 2.511) 5.358 3.387 ( -3.772 -5.491 0.154) 6.663 3.387 ( -3.772 5.491 0.154) 6.663 3.677 ( -2.499 -2.056 -1.443) 3.544 3.677 ( -2.499 2.056 -1.443) 3.544 4.372 ( -0.969 -3.718 0.902) 3.947 4.372 ( -0.969 3.718 0.902) 3.947 4.514 ( -0.463 -3.401 -3.256) 4.731 4.514 ( -0.463 3.401 -3.256) 4.731 4.682 ( 0.509 -1.547 3.712) 4.054 4.682 ( 0.509 1.547 3.712) 4.054 4.862 ( 1.650 -2.317 4.349) 5.197 4.862 ( 1.650 2.317 4.349) 5.197 4.983 ( 2.490 -1.873 -0.234) 3.124 4.983 ( 2.490 1.873 -0.234) 3.124 5.236 ( 1.123 -0.485 0.599) 1.362 5.236 ( 1.123 0.485 0.599) 1.362 5.600 ( 0.298 -6.637 1.547) 6.822 5.600 ( 0.298 6.637 1.547) 6.822 5.692 ( -0.092 -2.660 -2.123) 3.404 5.692 ( -0.092 2.660 -2.123) 3.404 5.850 ( -0.378 -1.381 -4.154) 4.394 5.850 ( -0.378 1.381 -4.154) 4.394 6.057 ( 6.371 -4.515 -7.618) 10.909 6.057 ( 6.371 4.515 -7.618) 10.909 6.193 ( 5.728 -3.093 -1.755) 6.742 6.193 ( 5.728 3.093 -1.755) 6.742 6.575 ( -4.354 -6.843 2.453) 8.473 6.575 ( -4.354 6.843 2.453) 8.473 6.890 ( -0.982 -3.089 8.758) 9.339 6.890 ( -0.982 3.089 8.758) 9.339 7.216 ( -2.521 -8.269 7.218) 11.262 7.216 ( -2.521 8.269 7.218) 11.262 7.350 ( 0.299 -4.128 0.088) 4.140 7.350 ( 0.299 4.128 0.088) 4.140 7.839 ( -4.316 -7.580 0.980) 8.778 7.839 ( -4.316 7.580 0.980) 8.778 8.161 ( -1.238 -4.770 -8.174) 9.544 8.161 ( -1.238 4.770 -8.174) 9.544 8.817 ( 4.803 -4.079 4.096) 7.516 8.817 ( 4.803 4.079 4.096) 7.516 8.935 ( -2.281 -4.291 0.565) 4.892 8.935 ( -2.281 4.291 0.565) 4.892 9.370 ( -0.926 -4.611 -5.603) 7.315 9.370 ( -0.926 4.611 -5.603) 7.315 10.040 ( -0.904 -3.829 4.593) 6.047 10.040 ( -0.904 3.829 4.593) 6.047 10.274 ( -0.605 -0.750 -1.358) 1.665 10.274 ( -0.605 0.750 -1.358) 1.665 10.602 ( -4.208 -6.094 -6.538) 9.879 10.602 ( -4.208 6.094 -6.538) 9.879 10.791 ( 5.229 -1.508 3.712) 6.588 10.791 ( 5.229 1.508 3.712) 6.588 21.401 ( -0.837 -3.054 2.128) 3.815 21.401 ( -0.837 3.054 2.128) 3.815 21.568 ( 0.789 -1.966 -1.632) 2.675 21.568 ( 0.789 1.966 -1.632) 2.675 22.732 ( 1.057 -0.032 -0.037) 1.058 22.732 ( 1.057 0.032 -0.037) 1.058 22.879 ( 0.455 -1.234 0.137) 1.322 22.879 ( 0.455 1.234 0.137) 1.322 23.651 ( -1.234 -3.575 -0.035) 3.782 23.651 ( -1.234 3.575 -0.035) 3.782 23.856 ( -0.435 -4.037 -0.098) 4.061 23.856 ( -0.435 4.037 -0.098) 4.061 26.768 ( 0.259 -1.097 0.574) 1.265 26.768 ( 0.259 1.097 0.574) 1.265 27.069 ( 1.665 -0.887 -0.213) 1.899 27.069 ( 1.665 0.887 -0.213) 1.899 29.642 ( -2.019 -3.399 -2.081) 4.468 29.642 ( -2.019 3.399 -2.081) 4.468 30.027 ( 6.017 -6.178 1.424) 8.740 30.027 ( 6.017 6.178 1.424) 8.740 32.191 ( -0.390 -5.927 -1.020) 6.027 32.191 ( -0.390 5.927 -1.020) 6.027 32.237 ( 1.424 -6.506 0.648) 6.692 32.237 ( 1.424 6.506 0.648) 6.692 33.629 ( -0.660 -2.076 1.534) 2.664 33.629 ( -0.660 2.076 1.534) 2.664 33.696 ( -0.706 -2.466 -1.328) 2.888 33.696 ( -0.706 2.466 -1.328) 2.888 35.348 ( 1.216 -1.121 -0.277) 1.677 35.348 ( 1.216 1.121 -0.277) 1.677 35.489 ( -0.183 -1.033 0.728) 1.277 35.489 ( -0.183 1.033 0.728) 1.277 89.108 ( -4.412 -1.812 3.636) 5.997 89.108 ( -4.412 1.812 3.636) 5.997 89.399 ( -3.203 -1.106 -1.639) 3.764 89.399 ( -3.203 1.106 -1.639) 3.764 92.378 ( -0.544 -2.027 1.678) 2.687 92.378 ( -0.544 2.027 1.678) 2.687 92.564 ( 1.363 -0.706 -1.011) 1.838 92.564 ( 1.363 0.706 -1.011) 1.838 97.898 ( -2.200 -2.192 -2.916) 4.260 97.898 ( -2.200 2.192 -2.916) 4.260 98.076 ( 2.198 -3.545 1.586) 4.463 98.076 ( 2.198 3.545 1.586) 4.463 103.708 ( 0.174 -0.758 0.152) 0.792 103.708 ( 0.174 0.758 0.152) 0.792 103.890 ( 1.533 -1.109 -0.055) 1.893 103.890 ( 1.533 1.109 -0.055) 1.893 ======================= Grid point 106 (56/112) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -1.521 -11.863 0.840) 11.990 1.087 ( -1.521 11.863 0.840) 11.990 1.389 ( -0.033 -17.952 -2.719) 18.157 1.389 ( -0.033 17.952 -2.719) 18.157 1.797 ( -2.353 -10.489 2.073) 10.948 1.797 ( -2.353 10.489 2.073) 10.948 2.029 ( 0.515 -3.488 -0.798) 3.615 2.029 ( 0.515 3.488 -0.798) 3.615 2.175 ( -4.921 -4.561 5.815) 8.879 2.175 ( -4.921 4.561 5.815) 8.879 2.448 ( 2.378 -3.417 -1.803) 4.537 2.448 ( 2.378 3.417 -1.803) 4.537 2.578 ( 5.976 -7.403 0.295) 9.518 2.578 ( 5.976 7.403 0.295) 9.518 2.774 ( 0.985 -1.416 1.644) 2.383 2.774 ( 0.985 1.416 1.644) 2.383 2.858 ( 8.194 -2.887 -0.196) 8.690 2.858 ( 8.194 2.887 -0.196) 8.690 3.066 ( -1.229 -4.618 1.115) 4.907 3.066 ( -1.229 4.618 1.115) 4.907 3.315 ( -3.927 -8.001 -1.224) 8.996 3.315 ( -3.927 8.001 -1.224) 8.996 3.614 ( -2.171 -1.461 -2.430) 3.571 3.614 ( -2.171 1.461 -2.430) 3.571 4.375 ( -0.128 -4.747 1.308) 4.926 4.375 ( -0.128 4.747 1.308) 4.926 4.493 ( 1.120 -2.569 -0.917) 2.948 4.493 ( 1.120 2.569 -0.917) 2.948 4.720 ( -0.955 -2.162 3.833) 4.503 4.720 ( -0.955 2.162 3.833) 4.503 4.915 ( -0.565 -2.340 2.500) 3.471 4.915 ( -0.565 2.340 2.500) 3.471 5.023 ( 1.536 -1.648 1.863) 2.924 5.023 ( 1.536 1.648 1.863) 2.924 5.280 ( 3.347 -1.508 0.587) 3.718 5.280 ( 3.347 1.508 0.587) 3.718 5.550 ( -4.429 -2.711 -3.992) 6.550 5.550 ( -4.429 2.711 -3.992) 6.550 5.669 ( 0.537 -2.089 0.348) 2.185 5.669 ( 0.537 2.089 0.348) 2.185 5.845 ( 3.623 -1.511 -3.183) 5.054 5.845 ( 3.623 1.511 -3.183) 5.054 6.055 ( 2.980 -5.348 -5.840) 8.461 6.055 ( 2.980 5.348 -5.840) 8.461 6.259 ( 4.163 -2.280 -0.847) 4.822 6.259 ( 4.163 2.280 -0.847) 4.822 6.517 ( -4.980 -6.003 0.906) 7.853 6.517 ( -4.980 6.003 0.906) 7.853 6.954 ( -1.943 -2.245 3.851) 4.862 6.954 ( -1.943 2.245 3.851) 4.862 7.268 ( 0.443 -10.666 -0.382) 10.682 7.268 ( 0.443 10.666 -0.382) 10.682 7.328 ( -0.810 -4.557 1.671) 4.921 7.328 ( -0.810 4.557 1.671) 4.921 7.805 ( -2.976 -8.414 2.507) 9.270 7.805 ( -2.976 8.414 2.507) 9.270 8.076 ( 0.301 -4.451 -2.734) 5.233 8.076 ( 0.301 4.451 -2.734) 5.233 8.841 ( -3.326 -8.219 -1.099) 8.934 8.841 ( -3.326 8.219 -1.099) 8.934 8.953 ( 4.010 -8.876 -0.938) 9.784 8.953 ( 4.010 8.876 -0.938) 9.784 9.303 ( -0.068 -5.514 -4.520) 7.130 9.303 ( -0.068 5.514 -4.520) 7.130 10.071 ( -2.069 -3.890 4.548) 6.332 10.071 ( -2.069 3.890 4.548) 6.332 10.253 ( 0.306 -2.100 -1.984) 2.905 10.253 ( 0.306 2.100 -1.984) 2.905 10.505 ( -0.987 -4.669 -2.745) 5.506 10.505 ( -0.987 4.669 -2.745) 5.506 10.910 ( 2.501 -1.962 6.055) 6.839 10.910 ( 2.501 1.962 6.055) 6.839 21.411 ( -1.176 -2.843 2.521) 3.978 21.411 ( -1.176 2.843 2.521) 3.978 21.567 ( 0.987 -1.935 -1.144) 2.455 21.567 ( 0.987 1.935 -1.144) 2.455 22.749 ( 0.922 -0.236 0.056) 0.954 22.749 ( 0.922 0.236 0.056) 0.954 22.884 ( 0.136 -1.082 -0.108) 1.096 22.884 ( 0.136 1.082 -0.108) 1.096 23.631 ( -0.754 -3.272 -0.638) 3.417 23.631 ( -0.754 3.272 -0.638) 3.417 23.850 ( -0.243 -3.308 0.056) 3.318 23.850 ( -0.243 3.308 0.056) 3.318 26.778 ( -0.004 -0.887 0.942) 1.294 26.778 ( -0.004 0.887 0.942) 1.294 27.089 ( 1.050 -1.093 -0.544) 1.610 27.089 ( 1.050 1.093 -0.544) 1.610 29.613 ( -0.447 -3.567 0.778) 3.678 29.613 ( -0.447 3.567 0.778) 3.678 30.109 ( 3.180 -6.917 -0.618) 7.638 30.109 ( 3.180 6.917 -0.618) 7.638 32.179 ( 0.054 -5.848 -0.296) 5.856 32.179 ( 0.054 5.848 -0.296) 5.856 32.260 ( 0.701 -6.737 0.204) 6.776 32.260 ( 0.701 6.737 0.204) 6.776 33.633 ( -0.825 -2.732 0.945) 3.007 33.633 ( -0.825 2.732 0.945) 3.007 33.676 ( -0.116 -2.257 -0.800) 2.397 33.676 ( -0.116 2.257 -0.800) 2.397 35.365 ( 1.238 -1.768 -0.381) 2.192 35.365 ( 1.238 1.768 -0.381) 2.192 35.489 ( -0.551 -1.607 0.303) 1.725 35.489 ( -0.551 1.607 0.303) 1.725 89.073 ( -4.515 -1.471 3.385) 5.832 89.073 ( -4.515 1.471 3.385) 5.832 89.338 ( -1.511 -0.710 -2.030) 2.629 89.338 ( -1.511 0.710 -2.030) 2.629 92.380 ( -0.682 -1.705 0.514) 1.907 92.380 ( -0.682 1.705 0.514) 1.907 92.586 ( 1.105 -0.803 0.912) 1.642 92.586 ( 1.105 0.803 0.912) 1.642 97.852 ( -0.592 -1.156 -0.457) 1.377 97.852 ( -0.592 1.156 -0.457) 1.377 98.115 ( 0.860 -4.833 0.464) 4.930 98.115 ( 0.860 4.833 0.464) 4.930 103.712 ( 0.081 -1.008 0.150) 1.023 103.712 ( 0.081 1.008 0.150) 1.023 103.909 ( 1.176 -1.596 -0.747) 2.119 103.909 ( 1.176 1.596 -0.747) 2.119 ======================= Grid point 126 (57/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -4.442 0.000 20.973) 21.439 0.878 ( -3.080 0.000 22.739) 22.946 1.453 ( -4.352 0.000 21.933) 22.360 1.508 ( 1.866 0.000 -15.643) 15.754 1.720 ( 1.465 0.000 -6.074) 6.248 1.939 ( 1.413 0.000 -0.108) 1.417 2.080 ( 2.348 0.000 3.321) 4.067 2.209 ( 1.565 0.000 -1.995) 2.536 2.223 ( -3.804 0.000 -0.886) 3.906 2.291 ( 2.382 0.000 4.183) 4.814 2.350 ( 3.130 0.000 5.605) 6.419 2.538 ( 4.915 0.000 1.914) 5.274 2.630 ( -1.974 0.000 2.588) 3.255 2.728 ( -2.910 0.000 -1.526) 3.286 2.786 ( 0.195 0.000 -4.777) 4.781 2.901 ( 1.664 0.000 3.728) 4.082 2.913 ( 1.907 0.000 1.389) 2.359 2.974 ( -5.903 0.000 4.431) 7.381 3.044 ( -0.729 0.000 -16.921) 16.937 3.132 ( 4.474 0.000 -5.164) 6.833 3.150 ( -2.442 0.000 4.960) 5.529 3.331 ( -0.321 0.000 5.045) 5.055 3.450 ( -3.154 0.000 -7.576) 8.206 3.537 ( 2.506 0.000 -3.097) 3.984 4.289 ( -2.069 0.000 -0.687) 2.180 4.294 ( 5.416 0.000 -0.102) 5.417 4.653 ( -2.239 0.000 0.205) 2.248 4.707 ( -4.915 0.000 -0.834) 4.985 4.755 ( -3.119 0.000 5.327) 6.173 4.990 ( 2.281 0.000 -0.209) 2.291 5.096 ( 3.499 0.000 4.416) 5.634 5.159 ( -2.202 0.000 -1.072) 2.449 5.160 ( -4.769 0.000 8.720) 9.939 5.267 ( -3.724 0.000 5.582) 6.710 5.330 ( 2.798 0.000 -1.713) 3.281 5.395 ( 4.424 0.000 -0.425) 4.444 5.479 ( 1.932 0.000 -1.366) 2.366 5.502 ( -4.115 0.000 -1.664) 4.439 5.568 ( 2.676 0.000 -4.675) 5.387 5.671 ( 3.611 0.000 -4.705) 5.931 5.685 ( -1.619 0.000 1.541) 2.235 5.755 ( -1.404 0.000 -2.801) 3.134 6.112 ( 2.053 0.000 0.388) 2.089 6.121 ( -4.586 0.000 1.315) 4.771 6.269 ( -0.551 0.000 0.082) 0.557 6.365 ( -0.291 0.000 2.178) 2.197 6.440 ( 1.724 0.000 -0.577) 1.818 6.452 ( 4.084 0.000 -0.770) 4.156 6.555 ( 0.124 0.000 -4.913) 4.915 6.673 ( -0.848 0.000 6.680) 6.734 6.806 ( -1.566 0.000 -11.117) 11.227 7.128 ( -5.849 0.000 -15.743) 16.794 7.238 ( 0.366 0.000 4.404) 4.419 7.343 ( 0.705 0.000 -1.073) 1.284 7.822 ( -5.901 0.000 8.810) 10.603 8.027 ( 5.939 0.000 -1.735) 6.188 8.129 ( 5.121 0.000 -1.119) 5.242 8.157 ( -9.076 0.000 -3.786) 9.834 8.330 ( 2.697 0.000 5.184) 5.844 8.534 ( -7.821 0.000 -7.319) 10.712 8.783 ( 4.873 0.000 6.531) 8.149 9.215 ( -7.269 0.000 9.240) 11.757 9.237 ( 8.601 0.000 -14.589) 16.936 9.550 ( 14.423 0.000 -7.514) 16.263 10.065 ( -2.058 0.000 4.555) 4.999 10.168 ( -9.822 0.000 2.722) 10.193 10.228 ( 13.424 0.000 -0.371) 13.429 10.270 ( 5.015 0.000 -3.975) 6.399 10.527 ( -3.716 0.000 2.154) 4.295 10.544 ( -6.642 0.000 1.000) 6.717 11.101 ( -9.061 0.000 6.679) 11.257 11.162 ( 2.696 0.000 3.805) 4.663 21.547 ( -2.514 0.000 0.801) 2.639 21.551 ( 2.593 0.000 0.507) 2.642 21.661 ( -5.053 0.000 -0.857) 5.125 21.665 ( 1.519 0.000 -0.915) 1.774 22.697 ( 1.354 0.000 0.956) 1.657 22.740 ( -2.200 0.000 -1.208) 2.510 22.869 ( 1.352 0.000 0.823) 1.583 22.891 ( -0.697 0.000 -0.288) 0.755 23.405 ( -1.366 0.000 3.039) 3.332 23.551 ( 2.566 0.000 -4.244) 4.959 23.884 ( -3.582 0.000 2.513) 4.375 23.960 ( 2.609 0.000 -1.404) 2.963 26.860 ( -4.281 0.000 2.698) 5.060 26.925 ( -0.561 0.000 3.659) 3.702 26.987 ( 2.807 0.000 -3.336) 4.360 27.051 ( -0.863 0.000 -2.469) 2.616 29.737 ( 4.685 0.000 -0.024) 4.685 29.774 ( -0.508 0.000 -1.630) 1.707 29.977 ( 3.348 0.000 6.943) 7.708 30.255 ( -2.195 0.000 -6.664) 7.016 31.914 ( 0.347 0.000 1.197) 1.246 31.946 ( -0.237 0.000 -0.335) 0.411 32.456 ( 1.586 0.000 1.945) 2.509 32.527 ( -1.531 0.000 -1.527) 2.162 33.535 ( -2.283 0.000 0.022) 2.283 33.557 ( 0.015 0.000 -0.936) 0.937 33.752 ( -2.444 0.000 1.322) 2.779 33.783 ( 2.191 0.000 -0.262) 2.206 35.297 ( -0.339 0.000 1.943) 1.973 35.382 ( 0.193 0.000 -2.147) 2.156 35.393 ( -0.344 0.000 1.969) 1.998 35.477 ( -1.502 0.000 -2.046) 2.538 89.080 ( -4.338 0.000 2.044) 4.796 89.206 ( 1.971 0.000 -4.173) 4.615 89.288 ( -17.027 0.000 2.891) 17.271 89.383 ( 6.714 0.000 -1.590) 6.899 92.271 ( -2.679 0.000 0.424) 2.712 92.287 ( 2.681 0.000 -0.459) 2.720 92.727 ( 4.158 0.000 3.573) 5.483 92.857 ( -13.314 0.000 -2.788) 13.603 97.831 ( 0.398 0.000 1.297) 1.356 97.884 ( -0.167 0.000 -1.302) 1.313 98.275 ( -6.123 0.000 1.120) 6.225 98.315 ( 14.169 0.000 -0.866) 14.196 103.682 ( 0.241 0.000 0.968) 0.997 103.725 ( -0.401 0.000 -1.114) 1.184 103.785 ( -0.067 0.000 0.139) 0.154 103.791 ( 0.421 0.000 -0.144) 0.445 ======================= Grid point 127 (58/112) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -8.537 0.000 21.279) 22.927 1.099 ( 0.455 0.000 19.984) 19.989 1.340 ( 0.111 0.000 -17.147) 17.148 1.502 ( 5.515 0.000 -13.964) 15.014 1.841 ( 5.253 0.000 11.311) 12.471 1.923 ( -0.967 0.000 -3.364) 3.500 2.133 ( -6.669 0.000 0.014) 6.669 2.170 ( 0.690 0.000 7.602) 7.633 2.203 ( 0.265 0.000 -0.366) 0.452 2.373 ( 3.545 0.000 2.074) 4.107 2.426 ( -2.563 0.000 4.629) 5.291 2.578 ( -3.871 0.000 -8.593) 9.424 2.620 ( -1.631 0.000 7.852) 8.020 2.664 ( 1.372 0.000 6.574) 6.716 2.777 ( 1.430 0.000 -3.529) 3.808 2.863 ( 2.009 0.000 -17.683) 17.797 2.901 ( -4.352 0.000 0.986) 4.463 2.919 ( -0.981 0.000 -1.978) 2.207 2.963 ( -1.315 0.000 3.588) 3.821 3.175 ( 7.087 0.000 -3.481) 7.895 3.220 ( 0.094 0.000 10.661) 10.661 3.328 ( -1.739 0.000 -7.867) 8.057 3.385 ( 0.736 0.000 3.709) 3.782 3.534 ( 2.139 0.000 -4.138) 4.658 4.257 ( -0.987 0.000 -1.483) 1.781 4.374 ( 5.317 0.000 -2.174) 5.745 4.630 ( -4.119 0.000 0.684) 4.175 4.648 ( -0.567 0.000 5.087) 5.118 4.761 ( -6.059 0.000 8.026) 10.056 4.945 ( -2.267 0.000 -4.168) 4.745 5.049 ( -5.481 0.000 -5.387) 7.685 5.100 ( -10.359 0.000 5.018) 11.511 5.135 ( -7.000 0.000 8.472) 10.989 5.285 ( -4.203 0.000 -1.986) 4.649 5.338 ( 4.279 0.000 3.586) 5.583 5.437 ( -6.938 0.000 3.788) 7.905 5.455 ( -4.400 0.000 -6.027) 7.462 5.513 ( -0.071 0.000 -5.767) 5.767 5.519 ( 7.146 0.000 -1.528) 7.307 5.561 ( -3.700 0.000 -2.146) 4.277 5.764 ( 6.657 0.000 2.279) 7.036 5.818 ( 8.076 0.000 -1.453) 8.205 6.027 ( -6.235 0.000 1.811) 6.493 6.153 ( 0.620 0.000 -0.835) 1.040 6.301 ( 6.116 0.000 1.543) 6.307 6.405 ( 4.329 0.000 -1.906) 4.730 6.458 ( -0.377 0.000 -2.845) 2.870 6.477 ( 3.369 0.000 1.084) 3.539 6.591 ( 2.113 0.000 5.979) 6.341 6.695 ( 1.521 0.000 -10.212) 10.325 6.793 ( 3.207 0.000 11.319) 11.765 6.903 ( -3.170 0.000 -10.978) 11.426 7.280 ( 0.196 0.000 2.517) 2.524 7.345 ( 1.573 0.000 -2.055) 2.588 7.770 ( -7.813 0.000 4.211) 8.875 7.885 ( -15.764 0.000 1.908) 15.879 8.175 ( 10.041 0.000 -5.108) 11.266 8.205 ( -0.571 0.000 3.283) 3.333 8.364 ( -3.290 0.000 -4.951) 5.944 8.434 ( 2.363 0.000 5.558) 6.039 8.891 ( 2.299 0.000 2.969) 3.755 9.122 ( -2.383 0.000 -14.552) 14.746 9.227 ( -2.788 0.000 8.328) 8.783 9.677 ( 14.532 0.000 -13.373) 19.749 9.941 ( -13.536 0.000 1.449) 13.614 10.073 ( -2.390 0.000 3.719) 4.421 10.297 ( -4.092 0.000 -1.016) 4.216 10.298 ( 4.983 0.000 -5.339) 7.303 10.595 ( 4.519 0.000 2.391) 5.112 10.650 ( 13.394 0.000 3.829) 13.931 11.043 ( -8.152 0.000 7.073) 10.793 11.246 ( 3.347 0.000 2.877) 4.413 21.488 ( -5.395 0.000 0.577) 5.426 21.591 ( -3.571 0.000 1.955) 4.071 21.594 ( 1.743 0.000 0.705) 1.880 21.679 ( 0.837 0.000 -0.319) 0.896 22.694 ( -1.867 0.000 -1.196) 2.217 22.730 ( 0.902 0.000 1.518) 1.765 22.872 ( -0.839 0.000 -0.658) 1.066 22.895 ( 0.896 0.000 0.351) 0.962 23.422 ( -0.672 0.000 2.970) 3.045 23.545 ( 2.590 0.000 -4.431) 5.133 23.858 ( -2.890 0.000 2.520) 3.834 23.997 ( 3.515 0.000 -1.180) 3.708 26.824 ( -4.194 0.000 3.762) 5.634 26.971 ( 0.557 0.000 3.835) 3.875 26.980 ( 0.227 0.000 -3.373) 3.381 27.013 ( -0.052 0.000 -2.131) 2.132 29.729 ( -2.273 0.000 -2.395) 3.301 29.764 ( -0.071 0.000 -0.979) 0.981 30.082 ( 0.289 0.000 7.023) 7.029 30.120 ( -4.625 0.000 -7.409) 8.734 31.936 ( 0.720 0.000 1.018) 1.246 31.939 ( 0.009 0.000 -0.677) 0.677 32.475 ( -2.478 0.000 -1.752) 3.034 32.498 ( 0.768 0.000 1.851) 2.004 33.521 ( -0.708 0.000 1.075) 1.287 33.551 ( 0.143 0.000 -0.121) 0.187 33.734 ( -1.221 0.000 0.939) 1.540 33.824 ( 3.021 0.000 -0.317) 3.038 35.317 ( 0.041 0.000 2.139) 2.140 35.361 ( 0.106 0.000 -2.016) 2.019 35.411 ( -0.551 0.000 2.444) 2.505 35.446 ( -0.231 0.000 -1.352) 1.372 89.043 ( -3.139 0.000 4.372) 5.383 89.186 ( -4.096 0.000 4.548) 6.120 89.219 ( 3.992 0.000 -2.922) 4.947 89.507 ( 8.928 0.000 1.050) 8.989 92.234 ( -2.166 0.000 0.230) 2.178 92.338 ( 3.984 0.000 -0.233) 3.990 92.667 ( -9.311 0.000 1.018) 9.367 92.838 ( 2.820 0.000 5.796) 6.445 97.854 ( 0.559 0.000 1.288) 1.404 97.866 ( -0.166 0.000 -1.479) 1.489 98.149 ( -8.970 0.000 -1.558) 9.104 98.440 ( 5.492 0.000 -3.092) 6.303 103.700 ( 0.532 0.000 1.188) 1.302 103.708 ( -0.262 0.000 -1.112) 1.143 103.784 ( -0.162 0.000 -0.197) 0.255 103.795 ( 0.341 0.000 -0.158) 0.376 ======================= Grid point 128 (59/112) ======================= q-point: ( 0.22 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -3.640 0.000 16.768) 17.159 1.115 ( 1.296 0.000 -15.471) 15.525 1.354 ( 1.669 0.000 13.752) 13.853 1.448 ( 7.720 0.000 -14.180) 16.146 1.839 ( -4.412 0.000 -4.313) 6.169 1.938 ( 1.180 0.000 -1.673) 2.047 2.016 ( -8.307 0.000 2.621) 8.711 2.172 ( -4.110 0.000 0.477) 4.138 2.273 ( 2.252 0.000 2.069) 3.058 2.394 ( -3.010 0.000 0.353) 3.031 2.430 ( -1.889 0.000 -7.153) 7.398 2.443 ( 0.518 0.000 2.847) 2.894 2.669 ( -1.038 0.000 -11.905) 11.951 2.681 ( -4.677 0.000 5.137) 6.947 2.752 ( 0.362 0.000 -2.415) 2.442 2.784 ( 5.099 0.000 -7.264) 8.875 2.867 ( -3.899 0.000 11.414) 12.061 2.931 ( 4.143 0.000 4.438) 6.071 2.990 ( 0.772 0.000 2.434) 2.554 3.216 ( -0.892 0.000 -5.562) 5.634 3.284 ( 8.635 0.000 -3.606) 9.357 3.351 ( 0.810 0.000 11.354) 11.383 3.423 ( 0.145 0.000 1.683) 1.689 3.520 ( 2.251 0.000 -4.697) 5.209 4.215 ( -0.877 0.000 -3.281) 3.396 4.432 ( 5.046 0.000 -1.132) 5.171 4.600 ( -2.230 0.000 3.147) 3.857 4.690 ( -5.835 0.000 6.138) 8.469 4.758 ( -3.962 0.000 10.839) 11.540 4.858 ( -6.005 0.000 -1.278) 6.139 4.942 ( 0.827 0.000 -3.249) 3.352 4.950 ( -9.871 0.000 -2.922) 10.295 5.080 ( -10.740 0.000 7.166) 12.911 5.210 ( -3.899 0.000 -0.747) 3.970 5.271 ( -7.983 0.000 -1.055) 8.052 5.312 ( -4.819 0.000 -4.806) 6.806 5.415 ( 1.940 0.000 -0.873) 2.127 5.431 ( -4.271 0.000 -3.537) 5.545 5.553 ( 1.280 0.000 1.459) 1.941 5.570 ( -0.367 0.000 -1.158) 1.215 5.839 ( 0.947 0.000 -0.992) 1.372 5.933 ( 6.759 0.000 -0.085) 6.760 6.059 ( 5.205 0.000 5.936) 7.895 6.137 ( 1.065 0.000 -2.817) 3.012 6.398 ( -1.198 0.000 -3.253) 3.466 6.408 ( 3.910 0.000 -0.744) 3.980 6.462 ( 4.219 0.000 -3.051) 5.207 6.600 ( 7.423 0.000 -3.116) 8.051 6.629 ( -6.130 0.000 4.360) 7.523 6.635 ( 5.184 0.000 -2.716) 5.852 6.865 ( 5.542 0.000 1.616) 5.772 6.994 ( 3.366 0.000 14.040) 14.438 7.302 ( -0.236 0.000 1.983) 1.997 7.346 ( 2.086 0.000 -2.973) 3.632 7.683 ( -12.101 0.000 3.769) 12.675 7.697 ( -5.427 0.000 3.259) 6.330 8.130 ( -8.716 0.000 2.463) 9.057 8.273 ( 6.991 0.000 -2.832) 7.543 8.364 ( 1.824 0.000 2.356) 2.979 8.498 ( -1.336 0.000 3.627) 3.865 8.875 ( -8.192 0.000 -13.431) 15.732 8.942 ( 4.129 0.000 -1.367) 4.349 9.300 ( 0.500 0.000 7.923) 7.939 9.740 ( 12.585 0.000 -14.316) 19.061 9.826 ( -2.724 0.000 -0.244) 2.735 10.065 ( -3.205 0.000 2.644) 4.155 10.182 ( -5.765 0.000 -3.351) 6.668 10.314 ( 4.973 0.000 -6.697) 8.341 10.675 ( 2.416 0.000 1.834) 3.033 10.874 ( 8.199 0.000 2.092) 8.462 10.987 ( -7.657 0.000 6.110) 9.796 11.335 ( 4.320 0.000 1.859) 4.703 21.414 ( -4.915 0.000 1.493) 5.137 21.571 ( -2.108 0.000 2.112) 2.984 21.618 ( 0.726 0.000 0.052) 0.728 21.675 ( -0.400 0.000 -1.277) 1.338 22.658 ( -1.283 0.000 -0.609) 1.420 22.751 ( -0.365 0.000 1.414) 1.461 22.857 ( -0.125 0.000 -0.342) 0.364 22.905 ( 0.228 0.000 -0.076) 0.241 23.444 ( -0.399 0.000 2.581) 2.612 23.540 ( 2.577 0.000 -4.174) 4.906 23.851 ( -1.696 0.000 3.070) 3.507 24.040 ( 3.511 0.000 -1.531) 3.830 26.803 ( -3.602 0.000 3.678) 5.148 26.936 ( -0.848 0.000 -2.808) 2.933 26.994 ( -0.174 0.000 -1.772) 1.781 27.012 ( -0.130 0.000 2.716) 2.719 29.661 ( -2.050 0.000 -3.084) 3.703 29.731 ( -2.635 0.000 -0.546) 2.691 29.973 ( -3.815 0.000 -6.048) 7.151 30.134 ( -2.482 0.000 5.792) 6.302 31.933 ( 0.355 0.000 -0.833) 0.906 31.956 ( 0.696 0.000 0.477) 0.844 32.421 ( -2.041 0.000 -1.214) 2.375 32.515 ( -0.572 0.000 0.991) 1.145 33.524 ( -0.478 0.000 0.978) 1.088 33.559 ( 0.240 0.000 0.787) 0.823 33.734 ( -0.096 0.000 1.052) 1.057 33.865 ( 2.659 0.000 -0.826) 2.784 35.342 ( 0.132 0.000 2.034) 2.038 35.346 ( 0.450 0.000 -1.501) 1.567 35.423 ( -1.428 0.000 2.500) 2.879 35.435 ( 0.595 0.000 -1.416) 1.536 89.078 ( 0.256 0.000 5.492) 5.498 89.195 ( -0.813 0.000 3.672) 3.761 89.260 ( 4.687 0.000 -2.762) 5.440 89.672 ( 6.897 0.000 4.491) 8.231 92.211 ( -1.273 0.000 0.876) 1.545 92.402 ( 4.510 0.000 -1.078) 4.637 92.564 ( -5.669 0.000 1.373) 5.833 92.912 ( -2.125 0.000 5.158) 5.578 97.850 ( 0.077 0.000 -1.362) 1.364 97.873 ( 0.283 0.000 0.877) 0.922 97.982 ( -7.301 0.000 -3.089) 7.928 98.458 ( 1.637 0.000 -3.443) 3.813 103.695 ( -0.009 0.000 -0.840) 0.840 103.723 ( 0.709 0.000 1.236) 1.425 103.775 ( -0.634 0.000 -0.402) 0.751 103.800 ( 0.355 0.000 -0.054) 0.359 ======================= Grid point 129 (60/112) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 10.098 0.000 -10.026) 14.230 1.112 ( 1.321 0.000 9.658) 9.748 1.451 ( 7.624 0.000 -8.754) 11.609 1.453 ( -4.694 0.000 7.125) 8.532 1.698 ( -7.010 0.000 -2.881) 7.579 1.925 ( 2.453 0.000 -3.935) 4.637 1.995 ( -0.858 0.000 8.360) 8.404 2.038 ( -7.852 0.000 -6.200) 10.005 2.265 ( -1.378 0.000 -3.387) 3.656 2.336 ( -5.037 0.000 -2.576) 5.657 2.388 ( 1.614 0.000 -2.458) 2.940 2.393 ( -7.366 0.000 0.292) 7.372 2.569 ( 5.796 0.000 -11.741) 13.094 2.603 ( -6.214 0.000 1.160) 6.321 2.715 ( -0.666 0.000 -2.611) 2.694 2.759 ( 2.051 0.000 -6.434) 6.752 2.965 ( -6.641 0.000 13.850) 15.360 3.063 ( 3.096 0.000 5.973) 6.728 3.085 ( 7.901 0.000 0.831) 7.944 3.176 ( 2.765 0.000 -1.929) 3.372 3.378 ( 5.579 0.000 -2.175) 5.988 3.423 ( -0.937 0.000 -0.073) 0.940 3.475 ( -0.129 0.000 9.896) 9.897 3.522 ( 4.743 0.000 -3.979) 6.191 4.177 ( 0.420 0.000 -2.259) 2.297 4.519 ( 5.205 0.000 1.420) 5.395 4.603 ( -10.891 0.000 3.373) 11.401 4.614 ( -0.986 0.000 3.248) 3.395 4.741 ( -7.415 0.000 -2.545) 7.840 4.765 ( -3.043 0.000 -0.346) 3.063 4.849 ( -1.902 0.000 8.438) 8.650 4.970 ( -11.484 0.000 9.141) 14.678 4.983 ( 3.239 0.000 2.340) 3.996 5.136 ( -5.001 0.000 2.019) 5.393 5.211 ( -3.441 0.000 4.198) 5.428 5.219 ( -0.392 0.000 -5.727) 5.741 5.334 ( -1.239 0.000 -3.864) 4.057 5.377 ( -0.958 0.000 -5.912) 5.989 5.504 ( -4.850 0.000 -0.543) 4.880 5.609 ( 1.989 0.000 1.914) 2.760 5.842 ( 2.120 0.000 -2.330) 3.150 6.026 ( 3.692 0.000 1.537) 3.999 6.134 ( 2.776 0.000 -3.548) 4.505 6.200 ( 3.674 0.000 1.865) 4.120 6.341 ( -2.551 0.000 -0.237) 2.562 6.406 ( 2.533 0.000 -9.653) 9.980 6.486 ( 2.979 0.000 -3.242) 4.403 6.575 ( 1.767 0.000 -3.259) 3.707 6.579 ( -5.174 0.000 5.750) 7.736 6.806 ( 8.287 0.000 0.303) 8.293 6.995 ( 3.936 0.000 4.439) 5.933 7.127 ( -1.122 0.000 5.356) 5.472 7.319 ( -0.004 0.000 1.782) 1.782 7.362 ( 0.766 0.000 1.147) 1.379 7.601 ( -6.461 0.000 8.796) 10.914 7.703 ( 0.636 0.000 6.640) 6.670 8.054 ( -6.435 0.000 7.077) 9.565 8.321 ( -0.277 0.000 0.794) 0.841 8.414 ( -2.501 0.000 5.325) 5.883 8.473 ( -0.232 0.000 -3.994) 4.001 8.634 ( -2.549 0.000 -10.877) 11.172 9.011 ( 6.765 0.000 -2.685) 7.278 9.397 ( 0.176 0.000 8.377) 8.379 9.782 ( 11.489 0.000 -13.963) 18.081 9.812 ( 1.689 0.000 -1.593) 2.322 9.995 ( -6.430 0.000 -1.669) 6.643 10.089 ( -1.443 0.000 -2.240) 2.665 10.309 ( 4.227 0.000 -8.141) 9.173 10.716 ( -0.089 0.000 2.786) 2.787 10.938 ( -6.021 0.000 5.697) 8.289 10.948 ( 1.838 0.000 -1.820) 2.586 11.391 ( 1.168 0.000 -1.338) 1.776 21.365 ( -3.646 0.000 2.059) 4.188 21.563 ( -1.700 0.000 2.083) 2.688 21.605 ( -1.363 0.000 -2.289) 2.664 21.654 ( 0.916 0.000 -2.254) 2.433 22.644 ( -0.217 0.000 0.338) 0.402 22.748 ( -1.353 0.000 0.671) 1.510 22.860 ( 0.258 0.000 0.441) 0.511 22.903 ( -0.016 0.000 -0.319) 0.320 23.461 ( -0.686 0.000 2.055) 2.167 23.539 ( 2.495 0.000 -3.653) 4.424 23.868 ( -0.834 0.000 3.819) 3.909 24.071 ( 2.673 0.000 -2.171) 3.444 26.787 ( -3.159 0.000 3.404) 4.644 26.901 ( -0.180 0.000 -1.941) 1.949 26.968 ( -0.277 0.000 -1.975) 1.994 27.019 ( -1.438 0.000 0.931) 1.713 29.611 ( -0.041 0.000 -2.608) 2.608 29.681 ( -2.879 0.000 -0.083) 2.880 29.888 ( -0.424 0.000 -2.947) 2.978 30.122 ( -4.824 0.000 2.787) 5.571 31.933 ( 0.623 0.000 -0.734) 0.963 31.965 ( 0.254 0.000 -0.181) 0.312 32.391 ( -0.726 0.000 0.069) 0.729 32.505 ( -1.252 0.000 0.088) 1.255 33.526 ( -0.397 0.000 0.786) 0.881 33.569 ( -0.263 0.000 0.820) 0.862 33.750 ( 0.275 0.000 1.512) 1.537 33.887 ( 1.687 0.000 -1.576) 2.309 35.344 ( 0.871 0.000 -0.888) 1.244 35.362 ( -0.079 0.000 1.653) 1.655 35.415 ( -2.394 0.000 1.811) 3.002 35.432 ( 0.999 0.000 -1.389) 1.711 89.146 ( 0.134 0.000 5.356) 5.358 89.242 ( 1.251 0.000 5.222) 5.369 89.301 ( 4.272 0.000 -3.194) 5.334 89.788 ( 0.768 0.000 4.301) 4.369 92.213 ( -0.440 0.000 2.086) 2.132 92.452 ( 4.110 0.000 -2.667) 4.899 92.504 ( -3.689 0.000 1.240) 3.891 92.861 ( -7.082 0.000 -0.492) 7.100 97.833 ( -0.152 0.000 -1.483) 1.491 97.880 ( -0.236 0.000 0.263) 0.353 97.898 ( -0.757 0.000 0.520) 0.918 98.426 ( 0.036 0.000 -4.739) 4.739 103.691 ( 0.354 0.000 -0.406) 0.539 103.748 ( 0.807 0.000 1.113) 1.374 103.756 ( -1.039 0.000 -0.488) 1.148 103.804 ( 0.183 0.000 0.044) 0.188 ======================= Grid point 130 (61/112) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 14.098 0.000 0.403) 14.104 1.246 ( 4.657 0.000 6.631) 8.103 1.367 ( -9.122 0.000 -0.688) 9.148 1.483 ( 4.354 0.000 -4.587) 6.324 1.619 ( -1.374 0.000 2.741) 3.066 1.789 ( -7.307 0.000 -11.872) 13.940 1.983 ( 5.377 0.000 -1.636) 5.621 2.090 ( -2.741 0.000 3.658) 4.571 2.150 ( -4.193 0.000 -6.942) 8.110 2.190 ( -0.247 0.000 -6.599) 6.604 2.335 ( -2.349 0.000 2.253) 3.255 2.388 ( -1.077 0.000 0.753) 1.314 2.529 ( -5.714 0.000 2.533) 6.250 2.544 ( 0.490 0.000 -3.560) 3.593 2.692 ( 1.320 0.000 -2.625) 2.938 2.728 ( 2.563 0.000 -5.642) 6.197 2.942 ( -11.908 0.000 10.866) 16.120 3.152 ( 1.070 0.000 3.019) 3.203 3.171 ( 8.888 0.000 -6.637) 11.092 3.250 ( 3.926 0.000 0.381) 3.944 3.398 ( -3.824 0.000 2.692) 4.676 3.413 ( 1.806 0.000 -0.245) 1.823 3.552 ( -1.094 0.000 5.717) 5.821 3.597 ( 7.563 0.000 -1.853) 7.787 4.186 ( 1.979 0.000 0.108) 1.982 4.442 ( -5.776 0.000 -5.397) 7.905 4.605 ( 2.363 0.000 1.769) 2.952 4.622 ( -1.428 0.000 1.819) 2.313 4.666 ( -6.250 0.000 8.049) 10.190 4.767 ( 0.897 0.000 3.539) 3.651 4.829 ( -10.883 0.000 11.101) 15.546 4.998 ( 1.822 0.000 4.614) 4.961 5.053 ( 3.252 0.000 -1.048) 3.417 5.115 ( -0.404 0.000 2.073) 2.112 5.190 ( 3.900 0.000 -2.882) 4.849 5.210 ( -2.732 0.000 2.744) 3.872 5.296 ( -0.029 0.000 -4.244) 4.244 5.323 ( 2.515 0.000 -1.543) 2.950 5.459 ( -0.849 0.000 3.060) 3.175 5.632 ( -0.646 0.000 0.233) 0.687 5.843 ( 1.588 0.000 -3.760) 4.082 6.073 ( -0.585 0.000 1.321) 1.445 6.149 ( 4.212 0.000 -4.080) 5.864 6.174 ( -4.627 0.000 -1.767) 4.953 6.302 ( 3.048 0.000 -14.989) 15.296 6.313 ( -2.783 0.000 -0.380) 2.809 6.512 ( 2.602 0.000 1.061) 2.810 6.585 ( -3.965 0.000 7.461) 8.449 6.609 ( 2.033 0.000 3.237) 3.822 6.842 ( -0.953 0.000 -4.923) 5.015 7.060 ( 0.779 0.000 0.982) 1.254 7.122 ( -0.166 0.000 -1.132) 1.144 7.348 ( 1.794 0.000 1.264) 2.195 7.378 ( 0.033 0.000 0.952) 0.952 7.652 ( -4.003 0.000 15.099) 15.620 7.825 ( -0.630 0.000 12.323) 12.339 8.077 ( -1.975 0.000 8.698) 8.920 8.277 ( -5.472 0.000 0.811) 5.532 8.332 ( -4.507 0.000 -4.783) 6.572 8.440 ( 5.022 0.000 -9.290) 10.561 8.660 ( 7.370 0.000 4.129) 8.448 9.067 ( 3.751 0.000 -4.262) 5.678 9.471 ( -3.085 0.000 8.901) 9.421 9.804 ( 7.064 0.000 -9.335) 11.706 9.830 ( 5.327 0.000 -6.776) 8.619 9.878 ( -2.771 0.000 -4.349) 5.157 10.054 ( -1.547 0.000 -0.714) 1.704 10.273 ( 2.992 0.000 -8.893) 9.383 10.735 ( -2.189 0.000 4.144) 4.686 10.925 ( -0.219 0.000 -3.698) 3.704 10.932 ( -2.962 0.000 7.405) 7.976 11.331 ( -3.466 0.000 -5.791) 6.749 21.340 ( -2.708 0.000 2.788) 3.887 21.546 ( -0.675 0.000 -4.590) 4.639 21.560 ( -1.532 0.000 2.144) 2.636 21.651 ( 1.312 0.000 -2.035) 2.421 22.659 ( 1.058 0.000 1.187) 1.590 22.726 ( -1.603 0.000 -0.096) 1.606 22.870 ( 0.097 0.000 0.682) 0.689 22.899 ( 0.043 0.000 -0.443) 0.445 23.464 ( -1.361 0.000 1.630) 2.124 23.541 ( 2.326 0.000 -3.074) 3.854 23.901 ( -0.767 0.000 4.392) 4.458 24.076 ( 1.279 0.000 -2.803) 3.081 26.776 ( -2.484 0.000 3.236) 4.080 26.889 ( 1.103 0.000 -1.702) 2.028 26.954 ( 1.170 0.000 -1.512) 1.912 26.988 ( -2.508 0.000 -0.535) 2.565 29.606 ( 1.939 0.000 -1.215) 2.289 29.641 ( -1.763 0.000 -0.346) 1.796 29.900 ( 3.736 0.000 0.139) 3.739 30.046 ( -5.943 0.000 -0.286) 5.950 31.937 ( 0.667 0.000 -0.426) 0.791 31.959 ( -0.418 0.000 -0.648) 0.771 32.399 ( 0.734 0.000 1.268) 1.465 32.481 ( -1.184 0.000 -0.652) 1.351 33.531 ( 0.099 0.000 0.874) 0.880 33.566 ( -0.734 0.000 0.213) 0.764 33.771 ( -0.136 0.000 2.015) 2.020 33.886 ( 0.684 0.000 -2.197) 2.301 35.354 ( 1.112 0.000 -0.228) 1.135 35.371 ( -0.729 0.000 0.793) 1.077 35.390 ( -2.437 0.000 1.406) 2.814 35.437 ( 1.283 0.000 -1.273) 1.808 89.182 ( -1.535 0.000 3.745) 4.047 89.325 ( 3.095 0.000 -3.494) 4.668 89.357 ( 2.908 0.000 9.557) 9.989 89.779 ( -4.476 0.000 0.027) 4.476 92.241 ( 0.012 0.000 3.570) 3.570 92.469 ( -2.588 0.000 1.683) 3.087 92.469 ( 2.458 0.000 -4.296) 4.949 92.712 ( -6.155 0.000 -5.098) 7.992 97.835 ( 1.282 0.000 -0.100) 1.286 97.871 ( -0.763 0.000 -0.327) 0.830 97.945 ( 2.451 0.000 4.715) 5.314 98.358 ( -0.711 0.000 -6.953) 6.990 103.697 ( 0.733 0.000 0.052) 0.735 103.732 ( -1.212 0.000 -0.558) 1.334 103.772 ( 0.796 0.000 0.946) 1.236 103.805 ( -0.118 0.000 -0.089) 0.148 ======================= Grid point 131 (62/112) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -15.034 0.000 2.014) 15.168 1.350 ( -12.321 0.000 4.412) 13.087 1.433 ( 5.888 0.000 -6.003) 8.409 1.492 ( 15.597 0.000 2.430) 15.785 1.638 ( 4.065 0.000 -6.556) 7.714 1.681 ( 4.409 0.000 0.228) 4.415 1.933 ( -4.954 0.000 -3.295) 5.950 2.033 ( 2.773 0.000 -4.529) 5.310 2.107 ( -1.072 0.000 -5.702) 5.802 2.161 ( 4.443 0.000 -3.565) 5.696 2.357 ( -6.154 0.000 5.197) 8.055 2.376 ( 0.834 0.000 4.809) 4.881 2.476 ( -1.960 0.000 -1.070) 2.233 2.509 ( -3.606 0.000 2.621) 4.458 2.697 ( 2.327 0.000 -2.175) 3.185 2.728 ( 4.646 0.000 -4.882) 6.739 2.856 ( -11.140 0.000 9.720) 14.785 3.166 ( -1.807 0.000 1.315) 2.235 3.230 ( 2.321 0.000 -2.886) 3.703 3.278 ( 6.710 0.000 -6.440) 9.300 3.355 ( -6.186 0.000 4.468) 7.630 3.460 ( 2.384 0.000 1.677) 2.915 3.555 ( -3.230 0.000 1.251) 3.463 3.691 ( 5.438 0.000 -1.284) 5.587 4.242 ( 3.406 0.000 2.514) 4.234 4.328 ( -0.928 0.000 -6.032) 6.103 4.606 ( -2.859 0.000 1.133) 3.075 4.632 ( -0.987 0.000 2.078) 2.300 4.677 ( -5.340 0.000 10.246) 11.554 4.826 ( -3.568 0.000 10.486) 11.076 4.855 ( 3.163 0.000 5.813) 6.618 5.000 ( -3.529 0.000 -2.131) 4.123 5.061 ( 3.573 0.000 -6.134) 7.099 5.160 ( -0.530 0.000 -3.696) 3.734 5.164 ( 4.838 0.000 -1.173) 4.978 5.264 ( 8.475 0.000 -3.423) 9.140 5.350 ( 4.244 0.000 4.076) 5.884 5.361 ( 3.428 0.000 -0.007) 3.428 5.557 ( 3.797 0.000 8.233) 9.066 5.607 ( -1.782 0.000 -0.001) 1.782 5.812 ( 0.070 0.000 -3.472) 3.473 5.999 ( -2.329 0.000 -9.731) 10.006 6.070 ( -5.724 0.000 -0.597) 5.755 6.185 ( 4.017 0.000 -1.753) 4.383 6.234 ( -5.151 0.000 -1.637) 5.405 6.243 ( 2.714 0.000 -4.801) 5.515 6.556 ( -3.617 0.000 4.648) 5.890 6.620 ( 1.239 0.000 6.265) 6.387 6.687 ( -1.283 0.000 2.925) 3.194 6.718 ( -2.515 0.000 -3.956) 4.687 7.059 ( -0.454 0.000 -0.817) 0.934 7.126 ( 2.703 0.000 -1.987) 3.355 7.379 ( -0.005 0.000 -1.338) 1.338 7.409 ( 4.557 0.000 0.764) 4.621 7.769 ( -4.901 0.000 18.852) 19.479 7.893 ( -7.419 0.000 10.821) 13.120 8.152 ( 0.734 0.000 6.336) 6.379 8.189 ( -3.121 0.000 -3.597) 4.763 8.266 ( 3.291 0.000 -3.734) 4.978 8.423 ( 5.426 0.000 -9.697) 11.112 8.859 ( 8.383 0.000 6.563) 10.646 9.015 ( -2.274 0.000 -8.115) 8.428 9.473 ( -7.687 0.000 7.714) 10.890 9.800 ( 0.569 0.000 -4.190) 4.228 9.823 ( 7.323 0.000 -12.589) 14.564 9.840 ( 2.946 0.000 -3.192) 4.343 10.023 ( -2.094 0.000 0.768) 2.230 10.225 ( 2.658 0.000 -7.910) 8.344 10.741 ( -3.070 0.000 5.507) 6.305 10.877 ( -0.918 0.000 -3.356) 3.479 11.008 ( -0.006 0.000 10.729) 10.729 11.182 ( -5.502 0.000 -6.895) 8.821 21.339 ( -2.111 0.000 4.252) 4.747 21.496 ( 0.728 0.000 -4.544) 4.602 21.561 ( -1.385 0.000 2.270) 2.659 21.649 ( 1.315 0.000 -2.133) 2.506 22.697 ( -1.326 0.000 -0.720) 1.509 22.701 ( 2.137 0.000 1.499) 2.610 22.878 ( 0.064 0.000 0.638) 0.641 22.895 ( 0.120 0.000 -0.551) 0.564 23.453 ( -2.081 0.000 1.509) 2.571 23.546 ( 2.133 0.000 -2.665) 3.413 23.932 ( -1.530 0.000 4.501) 4.754 24.052 ( -0.066 0.000 -3.243) 3.244 26.780 ( -1.405 0.000 3.394) 3.673 26.898 ( 2.596 0.000 -2.343) 3.497 26.937 ( -2.699 0.000 -0.811) 2.819 26.977 ( 2.627 0.000 -0.195) 2.634 29.614 ( -0.631 0.000 -1.541) 1.665 29.640 ( 3.149 0.000 -0.373) 3.171 29.941 ( -5.306 0.000 -1.817) 5.609 30.001 ( 7.111 0.000 1.821) 7.340 31.940 ( -0.945 0.000 -0.672) 1.159 31.944 ( 0.505 0.000 -0.018) 0.505 32.436 ( 1.673 0.000 1.640) 2.343 32.454 ( -0.954 0.000 -1.301) 1.613 33.549 ( 0.784 0.000 1.150) 1.392 33.554 ( -0.549 0.000 -0.206) 0.586 33.787 ( -0.857 0.000 2.453) 2.599 33.864 ( -0.231 0.000 -2.451) 2.462 35.348 ( -2.233 0.000 0.233) 2.245 35.374 ( 1.227 0.000 0.404) 1.292 35.381 ( -1.061 0.000 1.333) 1.704 35.446 ( 1.454 0.000 -1.140) 1.848 89.185 ( -2.700 0.000 3.299) 4.263 89.326 ( 1.813 0.000 -3.398) 3.852 89.534 ( 3.939 0.000 12.975) 13.560 89.664 ( -6.306 0.000 -4.350) 7.661 92.286 ( -0.254 0.000 4.750) 4.757 92.428 ( -1.069 0.000 -5.367) 5.473 92.464 ( -1.377 0.000 4.102) 4.327 92.599 ( -0.751 0.000 -4.670) 4.730 97.850 ( -1.076 0.000 -0.691) 1.279 97.859 ( 1.475 0.000 0.171) 1.485 98.061 ( 3.435 0.000 7.131) 7.915 98.253 ( -1.300 0.000 -9.721) 9.807 103.707 ( -1.175 0.000 -0.461) 1.262 103.714 ( 0.976 0.000 0.402) 1.056 103.793 ( 0.721 0.000 0.623) 0.953 103.799 ( -0.299 0.000 -0.397) 0.497 ======================= Grid point 132 (63/112) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -16.856 0.000 5.978) 17.885 1.014 ( -19.657 0.000 -8.257) 21.321 1.536 ( -0.556 0.000 7.203) 7.225 1.675 ( 1.982 0.000 1.490) 2.479 1.694 ( 4.712 0.000 -8.325) 9.566 1.734 ( 8.267 0.000 3.914) 9.147 1.948 ( 4.475 0.000 1.009) 4.587 1.976 ( -1.743 0.000 -4.017) 4.379 2.041 ( 1.376 0.000 -1.191) 1.820 2.223 ( 5.273 0.000 -1.616) 5.515 2.370 ( 3.071 0.000 3.209) 4.442 2.387 ( -1.608 0.000 -1.164) 1.986 2.424 ( -1.670 0.000 -3.375) 3.765 2.522 ( -1.723 0.000 7.325) 7.525 2.711 ( 1.194 0.000 -0.597) 1.335 2.766 ( 5.346 0.000 -3.747) 6.529 2.828 ( -3.872 0.000 7.899) 8.797 3.135 ( -4.416 0.000 2.709) 5.181 3.180 ( -2.059 0.000 -3.386) 3.963 3.306 ( -6.007 0.000 4.948) 7.782 3.358 ( 8.798 0.000 -4.303) 9.794 3.476 ( -5.630 0.000 -2.334) 6.095 3.487 ( 0.240 0.000 -1.800) 1.816 3.728 ( 1.342 0.000 -2.169) 2.551 4.266 ( 0.879 0.000 -6.103) 6.166 4.353 ( 5.005 0.000 5.643) 7.543 4.552 ( -4.157 0.000 -0.246) 4.164 4.623 ( -1.911 0.000 1.322) 2.323 4.717 ( -2.988 0.000 9.336) 9.803 4.909 ( -2.940 0.000 -1.482) 3.293 4.933 ( 1.505 0.000 11.085) 11.187 4.953 ( -0.104 0.000 3.514) 3.515 5.052 ( 5.039 0.000 -5.098) 7.168 5.137 ( 1.442 0.000 -1.384) 1.999 5.234 ( 7.922 0.000 -5.103) 9.423 5.368 ( 7.629 0.000 -3.178) 8.265 5.416 ( 6.566 0.000 -4.902) 8.194 5.433 ( 3.885 0.000 -2.427) 4.581 5.593 ( -0.183 0.000 -0.678) 0.702 5.649 ( -0.095 0.000 -0.668) 0.675 5.840 ( -0.357 0.000 10.883) 10.889 5.854 ( -0.967 0.000 -9.325) 9.375 6.017 ( 0.312 0.000 0.939) 0.989 6.127 ( -5.505 0.000 -1.469) 5.697 6.219 ( -0.906 0.000 2.869) 3.008 6.255 ( 2.472 0.000 -2.089) 3.236 6.523 ( -4.637 0.000 3.064) 5.558 6.543 ( -6.243 0.000 -4.174) 7.510 6.726 ( 2.205 0.000 5.807) 6.211 6.782 ( 1.879 0.000 2.379) 3.032 7.038 ( -0.881 0.000 -0.337) 0.943 7.148 ( 3.812 0.000 -5.227) 6.470 7.351 ( -1.333 0.000 -0.761) 1.535 7.510 ( 7.637 0.000 -0.732) 7.672 7.836 ( -7.610 0.000 3.211) 8.259 7.866 ( -7.972 0.000 15.337) 17.285 8.125 ( 0.493 0.000 -1.944) 2.005 8.206 ( -0.808 0.000 2.802) 2.916 8.377 ( 9.302 0.000 5.307) 10.710 8.408 ( 6.159 0.000 -9.757) 11.538 8.834 ( -6.653 0.000 -10.827) 12.708 9.011 ( 5.249 0.000 -1.302) 5.408 9.410 ( -9.634 0.000 7.130) 11.986 9.719 ( -2.907 0.000 -6.369) 7.001 9.820 ( 5.318 0.000 -5.713) 7.805 9.871 ( 4.769 0.000 -3.769) 6.079 10.013 ( -1.849 0.000 3.556) 4.008 10.199 ( 3.458 0.000 -5.829) 6.778 10.765 ( -2.390 0.000 6.948) 7.347 10.815 ( -3.552 0.000 -2.475) 4.329 11.048 ( -3.158 0.000 -3.169) 4.474 11.147 ( 1.369 0.000 12.193) 12.270 21.373 ( -0.876 0.000 7.422) 7.474 21.473 ( 1.793 0.000 -3.493) 3.927 21.564 ( -1.262 0.000 2.296) 2.620 21.648 ( 1.333 0.000 -2.083) 2.473 22.672 ( -0.607 0.000 -0.906) 1.091 22.754 ( 2.630 0.000 0.913) 2.784 22.886 ( 0.170 0.000 0.548) 0.574 22.890 ( -0.011 0.000 -0.768) 0.768 23.433 ( -2.535 0.000 1.750) 3.080 23.552 ( 2.017 0.000 -2.629) 3.313 23.944 ( -2.788 0.000 4.161) 5.009 24.010 ( -0.668 0.000 -3.282) 3.350 26.808 ( 0.106 0.000 3.754) 3.755 26.895 ( -1.896 0.000 0.483) 1.957 26.920 ( 3.600 0.000 -2.941) 4.649 27.025 ( 2.951 0.000 0.349) 2.971 29.581 ( -0.685 0.000 -2.678) 2.765 29.693 ( 3.714 0.000 -0.362) 3.732 29.852 ( -3.349 0.000 -1.210) 3.561 30.147 ( 8.228 0.000 1.449) 8.354 31.918 ( -1.076 0.000 -0.254) 1.106 31.952 ( 0.194 0.000 0.265) 0.328 32.425 ( -0.698 0.000 -1.468) 1.626 32.482 ( 1.967 0.000 1.315) 2.366 33.549 ( 0.235 0.000 -0.266) 0.355 33.580 ( 1.429 0.000 0.998) 1.743 33.796 ( -1.505 0.000 2.751) 3.136 33.828 ( -0.924 0.000 -2.325) 2.502 35.316 ( -2.041 0.000 0.486) 2.098 35.378 ( -0.958 0.000 1.157) 1.502 35.399 ( 1.158 0.000 0.359) 1.213 35.461 ( 1.848 0.000 -0.532) 1.923 89.169 ( -3.541 0.000 3.171) 4.754 89.315 ( 1.216 0.000 -3.033) 3.268 89.505 ( -5.654 0.000 -6.501) 8.616 89.754 ( 5.771 0.000 12.254) 13.545 92.320 ( -1.545 0.000 3.876) 4.172 92.346 ( -1.757 0.000 -4.455) 4.789 92.548 ( 2.426 0.000 12.026) 12.269 92.572 ( 1.871 0.000 -2.996) 3.532 97.825 ( -1.001 0.000 -0.694) 1.218 97.882 ( 1.175 0.000 0.053) 1.176 98.105 ( -2.702 0.000 -11.757) 12.063 98.189 ( 2.735 0.000 6.831) 7.358 103.686 ( -0.931 0.000 -0.207) 0.954 103.735 ( 0.902 0.000 0.555) 1.059 103.788 ( -0.232 0.000 -0.735) 0.771 103.807 ( 0.480 0.000 0.093) 0.489 ======================= Grid point 133 (64/112) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -19.433 0.000 0.167) 19.434 0.773 ( -15.740 0.000 13.091) 20.473 1.501 ( -22.301 0.000 22.015) 31.337 1.693 ( 6.063 0.000 -11.019) 12.577 1.734 ( 4.018 0.000 0.194) 4.022 1.805 ( 0.194 0.000 2.844) 2.851 1.982 ( 8.072 0.000 -4.526) 9.254 2.039 ( 7.363 0.000 0.501) 7.380 2.150 ( 4.886 0.000 4.589) 6.704 2.225 ( 1.512 0.000 -9.010) 9.136 2.349 ( -1.481 0.000 -0.367) 1.526 2.379 ( -0.108 0.000 0.958) 0.964 2.517 ( 9.700 0.000 2.349) 9.981 2.578 ( 0.237 0.000 4.844) 4.850 2.727 ( 0.317 0.000 1.538) 1.570 2.805 ( 3.924 0.000 -2.868) 4.860 2.886 ( 0.821 0.000 6.095) 6.150 3.082 ( -5.894 0.000 2.078) 6.249 3.124 ( 0.065 0.000 -3.173) 3.174 3.275 ( -6.073 0.000 6.860) 9.161 3.344 ( -5.410 0.000 -4.091) 6.782 3.403 ( 0.263 0.000 -9.263) 9.267 3.463 ( 3.815 0.000 -0.938) 3.928 3.688 ( -1.987 0.000 -4.108) 4.563 4.225 ( 1.578 0.000 -4.564) 4.829 4.435 ( -4.854 0.000 1.097) 4.976 4.569 ( 7.571 0.000 7.021) 10.325 4.619 ( -0.664 0.000 2.010) 2.117 4.761 ( -1.560 0.000 5.425) 5.645 4.904 ( -3.258 0.000 -3.460) 4.752 4.921 ( 2.602 0.000 4.066) 4.827 5.023 ( -0.862 0.000 1.853) 2.044 5.128 ( 4.870 0.000 0.159) 4.872 5.238 ( 8.062 0.000 6.193) 10.167 5.288 ( 6.829 0.000 -8.171) 10.649 5.386 ( 2.728 0.000 -4.165) 4.979 5.443 ( 2.708 0.000 -3.768) 4.640 5.505 ( 8.609 0.000 -4.807) 9.861 5.540 ( -0.645 0.000 -6.321) 6.353 5.597 ( -3.147 0.000 -1.376) 3.435 5.810 ( 0.526 0.000 0.440) 0.686 5.899 ( -7.310 0.000 6.182) 9.573 6.040 ( 1.702 0.000 -0.293) 1.727 6.147 ( 5.067 0.000 7.378) 8.951 6.226 ( -2.969 0.000 -0.268) 2.981 6.232 ( -2.869 0.000 2.109) 3.561 6.443 ( -1.538 0.000 -2.094) 2.598 6.484 ( -3.029 0.000 1.173) 3.248 6.756 ( -1.769 0.000 -2.528) 3.086 6.781 ( -1.581 0.000 -3.653) 3.980 7.061 ( 1.471 0.000 4.763) 4.985 7.113 ( 0.677 0.000 -8.124) 8.152 7.339 ( -0.054 0.000 0.321) 0.325 7.588 ( 2.912 0.000 -6.259) 6.903 7.754 ( -5.297 0.000 2.375) 5.805 7.836 ( -1.702 0.000 0.410) 1.750 8.178 ( -0.483 0.000 8.139) 8.153 8.188 ( -2.262 0.000 -1.310) 2.614 8.440 ( 8.474 0.000 -4.472) 9.582 8.602 ( -7.948 0.000 -8.869) 11.910 8.666 ( 16.079 0.000 10.127) 19.002 8.964 ( -1.907 0.000 -11.642) 11.798 9.328 ( -10.420 0.000 7.939) 13.100 9.593 ( -3.326 0.000 -6.815) 7.584 9.904 ( 5.370 0.000 5.703) 7.833 9.912 ( 6.448 0.000 -4.302) 7.751 10.035 ( -1.353 0.000 4.765) 4.953 10.206 ( 4.231 0.000 -4.618) 6.263 10.711 ( -6.581 0.000 -0.683) 6.617 10.800 ( -3.141 0.000 6.481) 7.202 11.025 ( 0.758 0.000 1.456) 1.641 11.276 ( -0.157 0.000 6.818) 6.820 21.478 ( 2.521 0.000 -2.115) 3.291 21.492 ( 3.964 0.000 10.688) 11.400 21.568 ( -1.298 0.000 2.123) 2.488 21.648 ( 1.398 0.000 -1.865) 2.331 22.661 ( 0.300 0.000 -0.556) 0.631 22.795 ( 2.001 0.000 -0.614) 2.093 22.874 ( -0.710 0.000 -1.267) 1.452 22.894 ( 0.174 0.000 0.408) 0.443 23.413 ( -2.554 0.000 2.237) 3.396 23.554 ( 2.058 0.000 -2.995) 3.634 23.933 ( -3.811 0.000 3.825) 5.399 23.968 ( -0.195 0.000 -2.840) 2.846 26.847 ( 0.066 0.000 1.930) 1.931 26.906 ( 0.944 0.000 3.431) 3.558 26.947 ( 3.907 0.000 -3.318) 5.126 27.067 ( 1.992 0.000 -0.259) 2.009 29.545 ( -0.991 0.000 0.221) 1.015 29.745 ( 3.357 0.000 -0.737) 3.437 29.817 ( -0.909 0.000 1.293) 1.581 30.273 ( 6.361 0.000 -0.897) 6.424 31.903 ( -0.812 0.000 0.364) 0.890 31.955 ( -0.151 0.000 0.261) 0.302 32.406 ( 0.014 0.000 -0.611) 0.611 32.524 ( 1.767 0.000 0.678) 1.892 33.555 ( 0.914 0.000 -0.399) 0.997 33.607 ( 1.342 0.000 -0.766) 1.546 33.789 ( -0.939 0.000 -1.794) 2.025 33.798 ( -2.022 0.000 2.537) 3.244 35.295 ( -1.549 0.000 0.954) 1.819 35.377 ( -0.790 0.000 1.261) 1.488 35.409 ( 0.544 0.000 -1.008) 1.145 35.499 ( 2.967 0.000 -0.094) 2.969 89.143 ( -3.760 0.000 2.973) 4.794 89.307 ( 1.849 0.000 -2.707) 3.278 89.357 ( -3.713 0.000 -6.662) 7.627 89.906 ( 2.042 0.000 -1.907) 2.794 92.287 ( -0.575 0.000 -2.891) 2.948 92.323 ( -2.344 0.000 2.620) 3.516 92.587 ( 2.742 0.000 -1.037) 2.931 92.829 ( 11.646 0.000 17.146) 20.728 97.808 ( -0.360 0.000 0.052) 0.364 97.896 ( 0.681 0.000 -0.328) 0.756 97.941 ( -3.280 0.000 -6.054) 6.886 98.284 ( 0.755 0.000 5.219) 5.274 103.674 ( -0.553 0.000 0.179) 0.581 103.750 ( 0.158 0.000 0.215) 0.267 103.779 ( 0.350 0.000 -0.752) 0.829 103.807 ( -0.222 0.000 -0.597) 0.637 ======================= Grid point 134 (65/112) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -2.060 0.000 20.264) 20.369 0.744 ( -9.997 0.000 20.392) 22.710 1.390 ( -23.273 0.000 29.344) 37.453 1.623 ( 3.082 0.000 -13.745) 14.086 1.773 ( 2.342 0.000 -4.498) 5.071 1.881 ( 3.580 0.000 2.873) 4.590 2.042 ( 4.433 0.000 -5.534) 7.090 2.167 ( 3.941 0.000 5.859) 7.060 2.185 ( 4.101 0.000 -3.519) 5.404 2.243 ( 2.588 0.000 2.535) 3.623 2.319 ( -1.331 0.000 -1.998) 2.401 2.431 ( 4.279 0.000 2.086) 4.760 2.623 ( -0.422 0.000 3.109) 3.137 2.683 ( 7.683 0.000 -0.100) 7.684 2.768 ( 1.795 0.000 3.975) 4.362 2.849 ( 3.989 0.000 -0.010) 3.989 2.932 ( -3.178 0.000 -0.124) 3.180 3.001 ( -5.570 0.000 4.924) 7.434 3.116 ( 2.973 0.000 -3.456) 4.559 3.198 ( -6.293 0.000 -0.022) 6.293 3.246 ( -2.726 0.000 -13.812) 14.078 3.297 ( -1.899 0.000 4.342) 4.739 3.516 ( 3.655 0.000 -1.934) 4.135 3.583 ( -3.667 0.000 -6.335) 7.320 4.231 ( 3.410 0.000 -1.715) 3.817 4.350 ( -4.334 0.000 -1.050) 4.459 4.645 ( 0.875 0.000 2.179) 2.348 4.778 ( -1.031 0.000 5.190) 5.291 4.779 ( -3.751 0.000 3.612) 5.207 4.845 ( 5.764 0.000 2.548) 6.302 4.993 ( 5.929 0.000 -2.824) 6.568 5.074 ( -0.628 0.000 11.938) 11.955 5.170 ( 2.511 0.000 -3.425) 4.247 5.302 ( 5.403 0.000 -4.984) 7.350 5.314 ( -0.756 0.000 -4.148) 4.216 5.385 ( -0.005 0.000 -2.382) 2.382 5.468 ( 1.218 0.000 -1.074) 1.624 5.541 ( 2.874 0.000 -2.614) 3.885 5.569 ( 1.654 0.000 -3.818) 4.161 5.571 ( 8.371 0.000 1.661) 8.535 5.779 ( -9.502 0.000 0.767) 9.533 5.821 ( -1.753 0.000 0.675) 1.879 6.107 ( 2.881 0.000 2.038) 3.528 6.127 ( -3.000 0.000 -2.518) 3.916 6.252 ( -1.344 0.000 5.118) 5.292 6.301 ( 2.144 0.000 8.557) 8.822 6.427 ( 1.511 0.000 -2.044) 2.542 6.446 ( -0.638 0.000 -2.749) 2.822 6.650 ( -2.872 0.000 -7.315) 7.859 6.689 ( -4.436 0.000 -1.017) 4.551 6.981 ( -3.752 0.000 -11.358) 11.962 7.156 ( 2.487 0.000 5.150) 5.719 7.344 ( 0.314 0.000 -0.297) 0.432 7.414 ( -7.555 0.000 -13.904) 15.824 7.761 ( -1.671 0.000 9.551) 9.696 7.908 ( 9.571 0.000 -2.586) 9.914 8.126 ( -0.999 0.000 -3.499) 3.638 8.244 ( 0.207 0.000 5.535) 5.539 8.372 ( -9.562 0.000 -5.149) 10.861 8.607 ( 7.982 0.000 5.500) 9.693 8.754 ( -7.714 0.000 -9.948) 12.588 9.062 ( 24.227 0.000 -2.403) 24.346 9.255 ( -9.865 0.000 9.073) 13.403 9.492 ( 0.153 0.000 -5.289) 5.291 10.006 ( 8.496 0.000 -0.985) 8.553 10.068 ( 1.232 0.000 2.887) 3.139 10.087 ( 6.022 0.000 9.057) 10.876 10.231 ( 4.675 0.000 -4.189) 6.277 10.605 ( -7.013 0.000 1.433) 7.158 10.752 ( -10.261 0.000 0.904) 10.300 11.081 ( 2.250 0.000 3.602) 4.247 11.224 ( -9.855 0.000 0.318) 9.860 21.506 ( 2.862 0.000 -0.664) 2.938 21.565 ( -1.552 0.000 1.593) 2.224 21.653 ( 1.514 0.000 -1.499) 2.131 21.673 ( 5.152 0.000 2.682) 5.808 22.670 ( 1.059 0.000 0.164) 1.072 22.790 ( -1.324 0.000 -1.929) 2.340 22.850 ( -0.317 0.000 0.075) 0.326 22.898 ( -0.151 0.000 0.137) 0.204 23.402 ( -2.114 0.000 2.747) 3.467 23.554 ( 2.359 0.000 -3.608) 4.311 23.911 ( -3.691 0.000 3.382) 5.006 23.948 ( 1.125 0.000 -2.088) 2.372 26.865 ( -0.293 0.000 2.243) 2.262 26.937 ( -1.808 0.000 1.049) 2.091 26.971 ( 3.634 0.000 -3.473) 5.026 27.078 ( 0.391 0.000 -1.484) 1.535 29.611 ( 5.841 0.000 4.825) 7.576 29.778 ( 1.805 0.000 -1.149) 2.139 29.857 ( 1.857 0.000 5.212) 5.533 30.316 ( 2.202 0.000 -4.153) 4.701 31.902 ( -0.260 0.000 0.927) 0.963 31.953 ( -0.312 0.000 0.033) 0.314 32.417 ( 1.114 0.000 0.914) 1.441 32.546 ( 0.671 0.000 -0.528) 0.854 33.563 ( 0.649 0.000 -0.860) 1.078 33.588 ( -1.575 0.000 -2.455) 2.917 33.768 ( 0.333 0.000 -0.893) 0.953 33.780 ( -2.948 0.000 1.733) 3.420 35.288 ( -0.922 0.000 1.496) 1.757 35.381 ( -0.538 0.000 1.544) 1.635 35.399 ( 0.247 0.000 -1.769) 1.786 35.520 ( 0.682 0.000 -2.850) 2.931 89.115 ( -3.408 0.000 2.482) 4.216 89.251 ( -0.924 0.000 -5.758) 5.831 89.322 ( 3.753 0.000 -2.369) 4.439 89.676 ( -19.392 0.000 -11.485) 22.538 92.267 ( 1.017 0.000 -1.478) 1.795 92.304 ( -2.645 0.000 1.427) 3.005 92.639 ( 3.604 0.000 1.169) 3.789 93.058 ( 0.264 0.000 -3.914) 3.923 97.816 ( -0.025 0.000 0.918) 0.919 97.896 ( 0.169 0.000 -0.847) 0.864 98.016 ( 13.614 0.000 7.049) 15.331 98.318 ( -2.332 0.000 3.276) 4.021 103.673 ( -0.137 0.000 0.604) 0.620 103.743 ( -0.429 0.000 -0.749) 0.863 103.784 ( 0.657 0.000 -0.203) 0.687 103.791 ( -0.821 0.000 -0.207) 0.847 ======================= Grid point 135 (66/112) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -7.352 2.355 21.553) 22.893 0.872 ( 2.746 5.422 19.264) 20.200 1.498 ( -2.100 -0.904 -9.108) 9.391 1.538 ( 2.493 3.134 -1.549) 4.294 1.757 ( -1.966 5.465 7.178) 9.233 1.935 ( 2.268 -3.119 0.666) 3.913 2.052 ( 1.186 -0.784 -0.051) 1.423 2.156 ( 0.060 -1.466 2.187) 2.634 2.209 ( -0.624 -5.637 -1.855) 5.967 2.238 ( 0.936 -4.031 1.677) 4.465 2.403 ( 0.794 5.169 8.750) 10.194 2.525 ( 3.797 0.008 -0.921) 3.908 2.638 ( -0.570 -0.530 0.178) 0.799 2.726 ( 0.156 -1.272 -1.860) 2.259 2.815 ( -0.427 2.302 -3.369) 4.102 2.871 ( -1.580 -0.150 2.041) 2.585 2.906 ( -1.151 -0.665 3.255) 3.516 2.961 ( -2.634 -0.165 4.211) 4.969 3.023 ( -1.014 -1.935 -3.751) 4.341 3.178 ( 1.937 0.908 0.932) 2.334 3.204 ( 3.058 5.118 -11.049) 12.555 3.295 ( -2.378 -2.579 5.233) 6.300 3.447 ( -1.377 -1.340 -5.771) 6.082 3.524 ( 1.590 -0.712 -3.651) 4.045 4.297 ( 3.356 2.389 1.776) 4.486 4.368 ( -0.145 4.378 -2.980) 5.298 4.598 ( -1.448 -3.157 2.231) 4.128 4.695 ( -1.750 -1.597 1.293) 2.699 4.776 ( -5.235 1.341 0.962) 5.489 4.931 ( 3.225 -5.081 0.526) 6.041 5.047 ( -3.369 -5.021 4.700) 7.659 5.078 ( 1.510 -4.986 1.309) 5.371 5.178 ( -5.771 -0.001 6.316) 8.556 5.269 ( -4.099 -0.276 5.700) 7.026 5.340 ( 1.174 -3.248 1.595) 3.805 5.351 ( 4.943 -0.884 1.007) 5.122 5.394 ( 0.795 -1.763 -3.222) 3.757 5.470 ( 0.522 -3.694 -3.142) 4.877 5.577 ( 1.701 0.722 -2.777) 3.335 5.689 ( 3.687 0.733 -6.850) 7.814 5.709 ( -0.861 2.619 0.036) 2.757 5.794 ( -1.285 2.342 -4.079) 4.876 6.013 ( 4.318 -5.390 0.681) 6.940 6.098 ( -1.100 -2.070 -2.198) 3.213 6.290 ( -4.689 -0.477 3.172) 5.681 6.388 ( 3.989 2.452 2.594) 5.353 6.396 ( 2.362 -1.299 -0.990) 2.872 6.552 ( -1.083 0.409 -5.765) 5.880 6.588 ( 2.435 5.835 -1.371) 6.469 6.722 ( -2.801 3.406 2.899) 5.278 6.788 ( -3.129 1.387 -6.680) 7.506 7.207 ( -4.170 4.957 -14.587) 15.960 7.289 ( -1.930 4.312 4.099) 6.255 7.364 ( 1.035 1.855 -0.372) 2.157 7.764 ( -3.087 -3.888 6.410) 8.107 7.920 ( 5.143 -6.835 -3.192) 9.130 8.193 ( -5.713 6.743 2.336) 9.142 8.262 ( -0.190 3.471 -0.983) 3.613 8.371 ( 2.464 4.028 2.773) 5.476 8.566 ( -4.787 3.147 -8.023) 9.859 8.778 ( 4.736 0.347 6.958) 8.425 9.160 ( -0.922 -4.101 -3.935) 5.758 9.248 ( 2.181 0.122 -1.859) 2.869 9.434 ( 9.440 -8.042 -3.461) 12.875 10.089 ( -8.551 -0.847 5.811) 10.373 10.120 ( 3.636 1.544 2.858) 4.876 10.227 ( 1.650 0.451 -1.936) 2.583 10.345 ( 5.030 -1.002 -4.414) 6.767 10.492 ( -1.140 -0.114 2.244) 2.519 10.531 ( -2.093 -0.824 -0.322) 2.272 11.107 ( -4.841 0.387 6.872) 8.415 11.166 ( -0.027 -0.185 3.568) 3.573 21.525 ( -3.252 -2.254 1.303) 4.166 21.544 ( 2.397 -0.488 0.098) 2.449 21.580 ( -3.069 -4.849 3.064) 6.505 21.644 ( 1.389 -1.886 -1.203) 2.633 22.725 ( 1.356 1.737 -0.183) 2.211 22.746 ( -1.975 0.562 -0.893) 2.239 22.867 ( 1.050 -0.067 0.692) 1.259 22.890 ( -0.617 -0.125 -0.384) 0.737 23.450 ( -0.959 3.648 1.578) 4.089 23.569 ( 2.205 1.576 -3.870) 4.725 23.869 ( -3.332 -1.353 2.575) 4.423 23.944 ( 2.382 -1.493 -1.405) 3.143 26.838 ( -3.342 -1.485 2.881) 4.655 26.887 ( 0.473 -2.258 2.162) 3.161 27.014 ( 1.917 1.554 -1.681) 2.986 27.063 ( -1.047 0.695 -2.467) 2.768 29.706 ( 3.611 -1.649 2.763) 4.836 29.800 ( -0.617 1.755 -1.905) 2.663 29.945 ( 2.581 -2.195 6.765) 7.566 30.226 ( -2.108 -2.858 -6.811) 7.682 31.968 ( 0.657 4.473 0.432) 4.541 31.986 ( -0.456 3.820 -0.260) 3.856 32.423 ( 1.480 -3.074 1.823) 3.868 32.487 ( -1.354 -3.642 -1.215) 4.071 33.544 ( -1.685 0.926 0.385) 1.961 33.570 ( 0.024 1.208 -0.994) 1.564 33.734 ( -2.083 -1.393 1.302) 2.824 33.766 ( 2.109 -1.540 -0.285) 2.627 35.310 ( -0.275 1.157 1.739) 2.106 35.385 ( 0.357 0.284 -1.765) 1.823 35.416 ( 0.411 1.491 0.770) 1.728 35.486 ( -1.875 0.537 -2.203) 2.942 89.073 ( -4.302 -0.416 2.599) 5.043 89.208 ( 1.349 0.007 -3.838) 4.068 89.242 ( -11.625 -3.156 4.261) 12.777 89.365 ( 5.733 -1.729 -2.014) 6.318 92.289 ( -2.383 1.653 0.521) 2.947 92.313 ( 2.104 2.125 -0.951) 3.138 92.704 ( 3.514 -2.059 3.096) 5.116 92.790 ( -9.234 -5.070 -0.325) 10.539 97.844 ( 0.675 1.211 1.602) 2.119 97.908 ( -0.485 2.141 -1.485) 2.650 98.178 ( 5.365 -6.928 4.434) 9.821 98.279 ( 0.091 -3.509 -1.545) 3.835 103.686 ( 0.296 0.547 0.913) 1.105 103.735 ( -0.831 -0.095 -1.367) 1.603 103.813 ( 0.339 2.277 -0.570) 2.371 103.825 ( 0.356 2.739 -1.263) 3.037 ======================= Grid point 136 (67/112) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -5.262 5.202 18.880) 20.278 1.112 ( 0.389 2.343 17.482) 17.642 1.341 ( -0.145 -0.004 -13.762) 13.763 1.508 ( 7.340 1.369 -16.474) 18.088 1.878 ( 1.740 1.910 7.459) 7.894 1.921 ( -1.618 -2.467 -3.854) 4.854 2.034 ( -7.105 -6.722 3.973) 10.557 2.178 ( 0.952 -1.738 0.277) 2.001 2.202 ( 0.571 0.543 4.496) 4.565 2.298 ( 2.113 -3.232 4.405) 5.858 2.449 ( -4.703 0.910 1.217) 4.942 2.568 ( 1.490 -2.361 2.399) 3.681 2.629 ( -0.085 2.113 -0.909) 2.302 2.691 ( 0.022 0.434 -2.105) 2.150 2.773 ( -0.122 0.895 -1.009) 1.354 2.858 ( -2.128 3.789 0.429) 4.367 2.894 ( -1.432 -1.501 0.446) 2.122 2.961 ( -2.006 0.060 2.490) 3.199 3.006 ( 0.962 0.862 -2.729) 3.019 3.124 ( -0.198 1.572 -4.200) 4.489 3.228 ( -0.846 -2.709 3.392) 4.423 3.307 ( 3.103 -0.606 -2.085) 3.787 3.409 ( 0.644 1.131 -1.262) 1.813 3.519 ( 2.618 -1.485 -3.397) 4.539 4.311 ( -1.127 4.330 -1.582) 4.746 4.394 ( 4.415 2.015 -1.291) 5.022 4.607 ( -2.460 -0.903 2.226) 3.438 4.653 ( -0.903 0.046 2.204) 2.383 4.746 ( -5.555 -1.313 5.755) 8.106 4.910 ( -3.917 -3.355 -1.807) 5.465 5.003 ( -1.904 -5.330 -1.204) 5.786 5.060 ( -10.576 -2.395 4.676) 11.809 5.116 ( -6.251 -1.916 3.914) 7.620 5.294 ( 0.844 -1.887 0.460) 2.117 5.300 ( -3.668 -0.547 0.255) 3.718 5.381 ( -2.494 -2.539 1.629) 3.914 5.429 ( -6.030 -3.382 0.750) 6.954 5.492 ( 4.737 -0.724 0.649) 4.836 5.525 ( 2.743 0.986 -5.579) 6.295 5.604 ( -1.751 2.110 -5.573) 6.211 5.745 ( 3.737 -2.541 1.287) 4.698 5.815 ( 5.020 2.191 -2.717) 6.114 6.031 ( -1.701 -2.222 -3.322) 4.344 6.108 ( 4.221 -2.151 0.281) 4.746 6.282 ( 2.501 0.957 1.863) 3.262 6.434 ( 4.344 -2.385 -0.800) 5.020 6.454 ( -2.513 0.712 -2.076) 3.336 6.510 ( 5.108 2.606 3.254) 6.593 6.596 ( -2.463 0.258 -4.836) 5.434 6.658 ( 2.900 -0.371 -0.580) 2.981 6.883 ( 3.976 6.746 12.790) 14.997 6.989 ( -3.380 5.857 -12.373) 14.100 7.294 ( -1.787 1.199 2.694) 3.448 7.398 ( 3.025 4.161 -0.525) 5.171 7.650 ( -11.460 -5.211 1.031) 12.631 8.051 ( 0.440 0.993 1.298) 1.692 8.073 ( 0.138 3.411 -0.137) 3.416 8.290 ( -1.740 4.477 1.010) 4.908 8.386 ( -1.621 2.005 -0.592) 2.646 8.499 ( 3.144 4.873 -0.176) 5.802 8.892 ( 1.983 0.219 3.907) 4.387 9.035 ( -5.421 -5.904 -9.155) 12.168 9.262 ( 1.051 1.472 1.044) 2.089 9.552 ( 11.294 -9.586 -7.594) 16.647 9.942 ( -9.880 1.058 1.804) 10.099 10.141 ( -1.895 4.389 2.061) 5.206 10.225 ( -2.685 -0.814 -0.428) 2.838 10.427 ( 5.861 3.056 -6.066) 8.972 10.501 ( 4.262 -6.388 3.752) 8.547 10.623 ( 8.033 -1.262 1.373) 8.247 11.075 ( -6.626 2.009 5.623) 8.920 11.228 ( 2.224 -1.644 3.216) 4.241 21.470 ( -5.005 -1.456 1.461) 5.414 21.558 ( -2.378 -2.441 2.242) 4.079 21.584 ( 1.537 -0.928 0.481) 1.859 21.654 ( 1.081 -2.081 -0.965) 2.536 22.705 ( -1.985 0.953 -0.738) 2.322 22.744 ( 0.556 1.030 0.816) 1.427 22.871 ( -0.667 -0.090 -0.506) 0.842 22.891 ( 0.700 -0.361 0.218) 0.817 23.460 ( -0.366 3.303 2.177) 3.973 23.564 ( 2.471 1.644 -4.010) 4.989 23.846 ( -2.730 -1.019 2.506) 3.843 23.977 ( 3.287 -1.850 -1.188) 3.955 26.815 ( -3.559 -0.656 3.178) 4.816 26.908 ( -0.214 -3.054 0.596) 3.119 27.021 ( -0.577 0.845 -2.048) 2.289 27.031 ( 1.161 1.834 -0.020) 2.171 29.745 ( -2.295 1.516 -3.121) 4.160 29.759 ( 0.177 -0.166 1.123) 1.149 30.047 ( 0.212 -2.980 7.047) 7.654 30.091 ( -4.367 -2.591 -7.215) 8.823 31.974 ( -0.337 3.620 -0.338) 3.652 31.987 ( 0.757 4.220 0.412) 4.307 32.437 ( -2.251 -3.439 -1.202) 4.282 32.466 ( 0.736 -3.054 1.293) 3.397 33.532 ( -0.862 1.062 0.882) 1.627 33.568 ( 0.602 1.522 -0.134) 1.642 33.719 ( -1.184 -1.275 0.861) 1.941 33.805 ( 2.848 -1.765 -0.397) 3.374 35.326 ( -0.193 0.796 1.769) 1.950 35.367 ( 0.068 0.540 -1.678) 1.764 35.427 ( -0.943 1.182 0.884) 1.751 35.452 ( 0.156 0.546 -0.450) 0.724 89.047 ( -2.645 0.438 4.234) 5.012 89.172 ( -3.586 -1.293 4.287) 5.737 89.223 ( 4.039 0.563 -2.930) 5.022 89.471 ( 8.364 -3.153 0.092) 8.939 92.257 ( -2.011 2.079 0.435) 2.925 92.351 ( 3.123 1.002 -0.264) 3.290 92.654 ( -7.280 -1.059 0.776) 7.397 92.799 ( 2.481 -3.432 4.502) 6.180 97.875 ( 0.821 1.954 1.608) 2.661 97.881 ( -0.541 1.431 -1.721) 2.303 98.121 ( -7.767 -2.456 -1.912) 8.367 98.355 ( 5.343 -7.022 -0.749) 8.855 103.703 ( 0.161 0.293 0.834) 0.899 103.710 ( -0.334 0.198 -0.653) 0.760 103.804 ( -0.514 1.692 -0.516) 1.842 103.823 ( 0.466 2.123 -0.523) 2.235 ======================= Grid point 137 (68/112) ======================= q-point: ( 0.22 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -3.009 3.834 10.869) 11.912 1.114 ( 1.236 1.815 -8.960) 9.225 1.376 ( 1.654 2.219 11.445) 11.775 1.452 ( 7.180 1.546 -14.580) 16.326 1.797 ( -3.977 -5.587 -6.157) 9.216 1.920 ( -2.939 -2.168 -0.739) 3.726 1.971 ( -4.030 -2.824 4.501) 6.669 2.187 ( -1.495 0.539 -0.830) 1.793 2.243 ( 0.162 -2.854 1.957) 3.464 2.343 ( -4.388 -1.891 0.205) 4.782 2.387 ( 0.847 -1.271 -0.151) 1.535 2.522 ( -2.508 0.806 -5.692) 6.272 2.606 ( -1.532 -0.001 -2.611) 3.027 2.711 ( -0.354 1.070 -0.230) 1.151 2.760 ( -5.096 0.354 -1.064) 5.218 2.844 ( 2.242 1.888 5.605) 6.325 2.928 ( 1.278 2.203 -2.886) 3.848 2.947 ( 2.099 2.344 3.724) 4.875 2.973 ( -0.992 1.210 2.053) 2.581 3.173 ( 3.463 -4.624 2.962) 6.493 3.194 ( 0.522 -3.734 -2.863) 4.735 3.374 ( 2.150 -1.187 1.323) 2.790 3.426 ( 1.947 1.584 2.594) 3.610 3.525 ( 2.472 -0.400 -3.561) 4.354 4.261 ( -1.379 3.891 -3.372) 5.330 4.446 ( 4.136 1.417 -1.062) 4.499 4.578 ( -1.847 -1.268 1.762) 2.850 4.689 ( -5.112 -0.388 5.198) 7.301 4.733 ( -2.530 -2.120 7.879) 8.543 4.822 ( -4.387 -3.909 0.739) 5.922 4.889 ( -10.078 -2.100 -2.562) 10.609 4.961 ( -3.922 -0.142 -0.655) 3.979 5.069 ( -6.157 -1.633 6.202) 8.890 5.203 ( -5.500 -0.493 -0.775) 5.576 5.260 ( -3.599 -1.811 -2.592) 4.791 5.315 ( -4.751 0.700 -2.682) 5.500 5.375 ( -0.417 -0.422 -1.490) 1.604 5.488 ( -0.434 0.485 1.291) 1.446 5.557 ( 1.172 1.534 -0.656) 2.039 5.578 ( -0.043 0.792 -2.376) 2.505 5.790 ( -1.238 -3.211 -0.711) 3.514 5.834 ( 3.808 -7.015 -1.796) 8.182 6.000 ( 0.397 -2.854 0.990) 3.047 6.212 ( 8.778 -0.266 -0.083) 8.783 6.344 ( 2.983 3.753 -3.076) 5.696 6.365 ( -3.696 -3.579 -3.429) 6.182 6.515 ( 1.336 -2.802 0.840) 3.216 6.540 ( 4.809 -3.237 -2.614) 6.359 6.644 ( 4.495 6.865 0.750) 8.239 6.748 ( 3.110 1.900 8.696) 9.429 6.870 ( 1.975 4.101 -4.436) 6.355 7.100 ( 3.738 6.987 13.363) 15.536 7.301 ( -1.063 0.032 3.140) 3.315 7.437 ( 2.898 8.236 -2.062) 8.971 7.482 ( -8.732 -7.304 0.337) 11.389 7.943 ( -7.320 9.749 3.567) 12.702 8.153 ( -4.439 1.962 1.391) 5.049 8.259 ( 5.724 0.361 -1.341) 5.890 8.417 ( 0.984 4.328 3.339) 5.554 8.521 ( -2.136 0.900 0.220) 2.328 8.819 ( -7.499 -3.546 -9.126) 12.333 8.947 ( 3.704 0.468 -0.919) 3.845 9.308 ( 2.156 0.332 2.335) 3.195 9.635 ( 10.020 -8.608 -8.114) 15.503 9.868 ( -0.793 3.768 -0.702) 3.914 10.118 ( -4.380 2.646 1.183) 5.252 10.150 ( -3.425 0.494 -1.689) 3.851 10.408 ( 3.092 5.921 -7.635) 10.144 10.614 ( 2.642 -6.739 3.150) 7.894 10.767 ( 6.465 -6.100 1.467) 9.009 11.021 ( -6.231 1.333 3.706) 7.371 11.298 ( 3.059 -3.333 1.428) 4.744 21.410 ( -4.389 -0.185 1.793) 4.745 21.546 ( -1.975 -2.095 2.065) 3.542 21.605 ( 0.757 -1.134 -0.235) 1.384 21.651 ( 0.314 -1.953 -1.720) 2.621 22.670 ( -1.510 1.108 -0.282) 1.894 22.755 ( -0.467 0.280 0.859) 1.017 22.858 ( -0.098 0.102 -0.370) 0.396 22.898 ( 0.051 -0.577 0.133) 0.594 23.481 ( -0.072 3.208 2.105) 3.838 23.563 ( 2.564 2.042 -3.685) 4.932 23.839 ( -1.645 -0.960 2.933) 3.497 24.017 ( 3.272 -2.183 -1.464) 4.197 26.793 ( -3.285 -0.760 2.865) 4.425 26.891 ( -1.250 -3.227 -0.950) 3.589 26.998 ( -0.043 1.146 -1.592) 1.962 27.050 ( 0.062 1.719 1.110) 2.047 29.668 ( -2.146 0.780 -3.660) 4.314 29.752 ( -2.125 1.891 0.758) 2.944 29.947 ( -3.752 -2.384 -5.903) 7.390 30.104 ( -2.346 -2.789 5.750) 6.808 31.965 ( -0.052 3.052 -0.549) 3.102 32.003 ( 0.661 4.168 0.186) 4.224 32.387 ( -2.017 -3.113 -1.047) 3.854 32.481 ( -0.398 -3.133 0.785) 3.255 33.531 ( -0.600 0.823 1.037) 1.453 33.582 ( 0.717 2.004 0.414) 2.168 33.718 ( -0.194 -1.475 0.962) 1.772 33.842 ( 2.569 -2.056 -0.937) 3.421 35.334 ( -0.219 -0.066 0.305) 0.381 35.360 ( 0.148 0.511 0.071) 0.537 35.415 ( -0.588 0.403 0.064) 0.716 35.463 ( -0.011 1.429 0.950) 1.716 89.080 ( 0.156 0.275 5.059) 5.068 89.182 ( -0.862 -1.231 3.562) 3.866 89.268 ( 4.928 0.874 -2.602) 5.641 89.616 ( 7.003 -4.851 2.619) 8.912 92.238 ( -1.256 2.392 1.085) 2.912 92.400 ( 3.243 -0.200 -0.495) 3.287 92.570 ( -4.271 0.622 0.532) 4.348 92.857 ( -1.429 -4.652 3.536) 6.016 97.857 ( -0.184 0.706 -1.510) 1.677 97.899 ( 0.293 2.401 0.958) 2.601 97.971 ( -6.169 -0.930 -3.022) 6.932 98.396 ( 1.864 -5.451 -2.040) 6.112 103.691 ( -0.226 0.048 -0.687) 0.725 103.727 ( 0.354 -0.163 1.362) 1.417 103.789 ( -0.590 1.761 -0.500) 1.923 103.825 ( 0.148 1.704 -0.129) 1.715 ======================= Grid point 138 (69/112) ======================= q-point: ( 0.33 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 4.323 -2.059 -4.724) 6.726 1.179 ( 4.824 5.415 2.428) 7.648 1.423 ( 4.171 -1.434 -9.348) 10.336 1.462 ( -4.276 1.233 8.082) 9.227 1.705 ( -1.705 -1.093 -2.202) 2.992 1.873 ( -0.390 -2.263 0.157) 2.302 1.987 ( 0.062 -0.330 2.664) 2.685 2.076 ( -6.553 1.230 -3.353) 7.463 2.247 ( -0.536 -1.505 -2.341) 2.834 2.291 ( -2.925 -3.452 -0.113) 4.526 2.364 ( -4.434 -1.032 -0.134) 4.555 2.414 ( 0.079 0.031 -7.122) 7.123 2.548 ( -2.471 -0.381 -1.713) 3.031 2.618 ( -4.954 1.166 -3.036) 5.927 2.697 ( -0.047 -0.294 -5.115) 5.124 2.845 ( 0.273 2.319 -5.369) 5.855 2.933 ( -4.574 -2.782 6.639) 8.529 3.048 ( 6.717 -0.490 0.848) 6.788 3.088 ( 1.613 0.987 7.721) 7.949 3.164 ( 2.662 -0.741 0.670) 2.843 3.294 ( 3.451 -4.731 0.293) 5.863 3.408 ( 2.636 -2.044 1.763) 3.773 3.492 ( -0.625 0.812 4.492) 4.607 3.540 ( 4.531 0.818 -2.066) 5.047 4.214 ( -0.011 3.230 -2.383) 4.014 4.511 ( 4.096 -0.704 0.523) 4.188 4.574 ( -4.247 -0.742 3.886) 5.804 4.634 ( -5.359 -0.636 -0.011) 5.396 4.695 ( -4.485 -3.688 -0.568) 5.834 4.750 ( -4.946 -0.959 2.482) 5.617 4.846 ( -1.294 -3.162 5.828) 6.755 4.881 ( -8.281 0.929 7.335) 11.101 5.053 ( -1.477 -0.739 2.684) 3.152 5.145 ( -3.016 0.697 2.174) 3.782 5.185 ( -2.809 -1.383 -1.234) 3.366 5.238 ( -0.205 2.181 -4.031) 4.588 5.308 ( -2.172 0.510 -3.715) 4.333 5.488 ( -1.378 2.698 -1.134) 3.235 5.509 ( -3.277 4.167 -0.838) 5.367 5.593 ( 2.366 -1.300 1.445) 3.062 5.764 ( 0.138 -5.472 -1.868) 5.784 5.893 ( 3.542 -9.951 1.538) 10.674 6.039 ( 1.795 -3.960 1.199) 4.510 6.249 ( -1.593 -5.944 -4.651) 7.713 6.291 ( -0.244 -3.912 -6.007) 7.172 6.394 ( 5.794 6.333 0.636) 8.607 6.479 ( 1.691 -1.392 -9.613) 9.859 6.602 ( -0.695 2.727 6.151) 6.764 6.689 ( 0.652 5.613 1.501) 5.847 6.874 ( 5.983 5.263 -0.153) 7.970 6.968 ( 3.752 -0.286 7.697) 8.568 7.222 ( -1.084 6.854 2.822) 7.491 7.323 ( -2.418 0.980 5.259) 5.871 7.350 ( -3.256 -3.197 -1.155) 4.707 7.538 ( 4.663 3.478 7.190) 9.249 7.924 ( -2.419 9.375 7.007) 11.952 8.073 ( -7.004 3.874 4.106) 8.995 8.340 ( 2.872 1.489 0.012) 3.236 8.410 ( -3.890 -2.657 -4.206) 6.315 8.492 ( -1.167 3.147 3.951) 5.184 8.652 ( -1.345 2.737 -5.304) 6.118 9.008 ( 5.935 -0.514 -2.804) 6.584 9.370 ( 1.801 -1.991 2.889) 3.943 9.702 ( 8.212 -7.382 -6.951) 13.048 9.874 ( 3.245 6.010 -2.681) 7.338 10.014 ( -5.679 0.972 -2.411) 6.246 10.110 ( -1.343 2.748 -0.824) 3.168 10.368 ( 2.747 4.434 -8.534) 10.002 10.666 ( -0.040 -5.222 3.645) 6.369 10.835 ( 1.169 -6.279 0.478) 6.405 10.958 ( -4.932 -0.922 1.450) 5.222 11.331 ( 0.786 -5.352 -2.340) 5.894 21.370 ( -3.343 0.517 2.145) 4.005 21.538 ( -1.652 -2.117 1.737) 3.198 21.594 ( -0.751 -0.998 -2.143) 2.481 21.638 ( 1.045 -1.379 -2.157) 2.765 22.654 ( -0.539 0.937 0.407) 1.155 22.747 ( -1.137 -0.038 0.179) 1.152 22.860 ( 0.291 -0.019 0.257) 0.389 22.897 ( -0.286 -0.609 0.062) 0.675 23.499 ( -0.320 3.322 1.733) 3.761 23.566 ( 2.445 2.546 -3.139) 4.723 23.855 ( -0.873 -1.166 3.600) 3.883 24.045 ( 2.485 -2.419 -2.059) 4.033 26.773 ( -2.746 -0.997 2.662) 3.952 26.862 ( -0.864 -3.062 -0.941) 3.318 26.981 ( 0.072 1.489 -1.554) 2.153 27.048 ( -1.194 1.601 0.131) 2.001 29.614 ( -0.058 0.587 -2.567) 2.634 29.716 ( -2.813 2.954 0.287) 4.089 29.862 ( -0.420 -2.291 -2.940) 3.751 30.093 ( -4.713 -2.695 2.753) 6.087 31.962 ( 0.301 2.761 -0.430) 2.810 32.009 ( 0.219 3.938 -0.370) 3.961 32.358 ( -0.788 -3.016 0.155) 3.121 32.472 ( -1.064 -3.035 -0.067) 3.217 33.534 ( -0.505 0.897 1.121) 1.522 33.594 ( 0.221 2.192 0.160) 2.209 33.732 ( 0.210 -1.710 1.455) 2.255 33.863 ( 1.718 -2.180 -1.626) 3.217 35.333 ( 0.156 -0.452 -0.211) 0.523 35.363 ( -0.282 -0.644 0.403) 0.810 35.413 ( -0.231 1.171 0.564) 1.320 35.466 ( -0.506 1.676 0.434) 1.803 89.142 ( 0.138 -0.321 4.969) 4.982 89.220 ( 0.787 -1.734 4.008) 4.438 89.319 ( 4.469 1.520 -1.983) 5.120 89.721 ( 2.002 -5.717 2.444) 6.531 92.241 ( -0.572 2.447 2.182) 3.328 92.436 ( 1.935 -1.242 -0.785) 2.429 92.523 ( -1.658 1.493 -0.644) 2.322 92.814 ( -5.393 -4.003 -1.064) 6.801 97.839 ( -0.138 0.506 -1.375) 1.472 97.886 ( -0.542 -0.013 -0.029) 0.543 97.917 ( -0.341 2.403 0.646) 2.512 98.378 ( -0.003 -4.380 -3.857) 5.837 103.686 ( 0.211 -0.069 -0.254) 0.337 103.739 ( -0.413 -0.943 0.503) 1.146 103.781 ( -0.043 2.229 0.233) 2.241 103.825 ( -0.041 1.415 -0.039) 1.416 ======================= Grid point 139 (70/112) ======================= q-point: ( 0.44 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 2.875 -6.138 3.852) 7.796 1.293 ( 6.795 0.414 -2.055) 7.111 1.363 ( 4.576 -1.076 -7.170) 8.573 1.494 ( -2.359 4.318 8.430) 9.761 1.656 ( -3.793 2.030 -1.907) 4.705 1.817 ( -2.290 1.960 -7.573) 8.151 1.975 ( 4.074 -0.681 -0.797) 4.206 2.094 ( -0.625 -0.416 4.817) 4.875 2.140 ( -4.080 0.606 -6.257) 7.494 2.230 ( -0.788 1.701 -3.943) 4.366 2.287 ( -2.651 -2.272 -0.405) 3.515 2.391 ( 2.011 -1.680 -3.231) 4.160 2.488 ( -5.961 -1.431 2.805) 6.741 2.530 ( -3.241 -1.011 -1.271) 3.625 2.656 ( 1.584 -1.561 -4.035) 4.607 2.792 ( -0.019 1.401 -4.622) 4.830 2.901 ( -8.619 -3.465 7.616) 12.013 3.118 ( 2.389 -3.153 -2.836) 4.867 3.152 ( 4.580 -2.379 -0.051) 5.162 3.236 ( 0.524 -0.868 -1.632) 1.921 3.326 ( 1.362 -2.020 5.339) 5.868 3.454 ( 0.546 0.745 0.379) 0.998 3.548 ( -0.757 -0.074 5.997) 6.045 3.614 ( 7.058 1.078 -1.245) 7.247 4.216 ( 1.630 2.754 0.202) 3.206 4.456 ( -5.218 1.252 -4.757) 7.171 4.581 ( 2.537 -1.505 1.217) 3.191 4.611 ( -0.603 -1.472 1.478) 2.171 4.668 ( -5.766 -0.362 7.727) 9.648 4.732 ( -1.133 -2.137 4.200) 4.847 4.800 ( -9.039 -3.061 10.241) 13.999 4.931 ( 2.297 -1.620 2.830) 3.989 5.066 ( -0.702 -3.727 1.095) 3.948 5.112 ( -1.914 1.193 -2.801) 3.596 5.148 ( 0.629 -4.117 -1.575) 4.452 5.237 ( 5.007 -0.207 -8.064) 9.494 5.281 ( 2.009 5.971 4.638) 7.823 5.445 ( -1.761 2.601 0.106) 3.143 5.500 ( 0.190 6.556 2.930) 7.184 5.630 ( 0.032 -0.169 1.499) 1.509 5.753 ( 1.374 -6.340 -2.441) 6.931 5.964 ( 1.236 -8.594 3.133) 9.230 6.072 ( 1.213 -3.983 0.164) 4.167 6.175 ( -2.504 -4.279 -2.427) 5.520 6.205 ( 0.522 -4.442 -9.322) 10.339 6.332 ( -1.277 -1.929 -12.106) 12.325 6.511 ( 3.991 3.538 1.652) 5.583 6.639 ( -3.843 4.165 5.193) 7.687 6.719 ( 0.413 5.515 4.100) 6.884 6.901 ( -0.259 4.961 -3.384) 6.011 7.081 ( 2.019 2.381 4.113) 5.163 7.182 ( -1.161 5.102 -2.440) 5.773 7.319 ( -4.764 -1.532 6.735) 8.391 7.362 ( 3.226 -0.436 -0.145) 3.259 7.718 ( 2.960 4.301 12.945) 13.958 7.947 ( -5.872 9.659 5.956) 12.777 8.059 ( -0.609 -1.456 5.717) 5.930 8.301 ( -2.670 -1.961 -5.418) 6.350 8.342 ( -3.155 5.113 2.339) 6.448 8.483 ( 2.605 3.659 -4.196) 6.147 8.711 ( 6.552 4.576 4.251) 9.052 9.051 ( 3.515 -1.716 -4.467) 5.938 9.420 ( -0.426 -3.742 4.020) 5.508 9.730 ( 3.900 -7.036 -6.763) 10.510 9.887 ( 0.545 6.314 -3.086) 7.049 9.932 ( 2.479 3.778 -5.123) 6.832 10.082 ( -1.294 2.440 -0.175) 2.767 10.313 ( 1.960 3.227 -8.541) 9.338 10.700 ( -1.464 -3.641 4.645) 6.081 10.840 ( -0.118 -6.119 -0.036) 6.121 10.904 ( -3.634 -3.295 2.089) 5.332 11.264 ( -2.980 -6.088 -6.512) 9.400 21.349 ( -2.517 0.874 2.761) 3.837 21.526 ( -0.801 -1.650 -0.925) 2.054 21.555 ( -0.975 -0.540 -1.167) 1.614 21.635 ( 1.253 -1.432 -2.079) 2.818 22.663 ( 0.618 0.439 1.078) 1.318 22.726 ( -1.218 0.035 -0.438) 1.294 22.870 ( 0.280 -0.068 0.527) 0.601 22.892 ( -0.238 -0.676 -0.116) 0.726 23.506 ( -0.993 3.621 1.420) 4.014 23.572 ( 2.204 2.864 -2.675) 4.496 23.884 ( -0.839 -1.511 4.150) 4.496 24.050 ( 1.215 -2.493 -2.670) 3.850 26.764 ( -1.982 -0.944 2.710) 3.487 26.847 ( 0.280 -2.979 -0.847) 3.110 26.972 ( 0.917 1.558 -1.167) 2.152 27.017 ( -1.732 1.745 -1.150) 2.714 29.614 ( 2.146 0.953 -0.797) 2.479 29.673 ( -2.239 2.687 -0.612) 3.551 29.874 ( 3.699 -2.356 0.122) 4.388 30.019 ( -5.824 -2.550 -0.298) 6.365 31.966 ( 0.501 2.742 -0.080) 2.788 32.002 ( -0.349 3.759 -0.851) 3.870 32.365 ( 0.599 -3.097 1.311) 3.416 32.450 ( -1.024 -2.938 -0.801) 3.213 33.540 ( -0.202 1.018 1.255) 1.628 33.592 ( -0.227 2.240 -0.404) 2.287 33.751 ( -0.158 -1.816 1.961) 2.678 33.862 ( 0.742 -2.138 -2.171) 3.136 35.336 ( 0.248 -0.820 0.123) 0.866 35.357 ( -0.787 -1.121 0.005) 1.370 35.418 ( -0.307 2.017 1.079) 2.308 35.461 ( 0.074 1.549 -0.436) 1.611 89.178 ( -1.420 -0.336 3.733) 4.008 89.284 ( 1.940 -2.820 2.161) 4.048 89.379 ( 3.123 1.417 3.139) 4.650 89.722 ( -2.807 -4.918 -0.826) 5.723 92.266 ( -0.201 2.192 3.472) 4.111 92.445 ( -0.150 -1.256 0.116) 1.270 92.497 ( 0.113 1.482 -2.483) 2.894 92.690 ( -4.916 -1.919 -4.751) 7.101 97.842 ( 1.330 0.679 0.072) 1.495 97.890 ( -0.456 1.552 -0.254) 1.638 97.944 ( 1.917 0.236 3.920) 4.370 98.316 ( -1.020 -3.857 -6.176) 7.352 103.692 ( 0.598 -0.189 0.178) 0.652 103.726 ( -1.011 -0.568 -0.362) 1.215 103.792 ( 0.464 1.682 0.814) 1.925 103.823 ( -0.062 1.297 -0.178) 1.311 ======================= Grid point 140 (71/112) ======================= q-point: (-0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -11.696 -5.499 3.540) 13.401 1.336 ( -0.372 -3.790 -2.202) 4.399 1.429 ( -1.701 1.592 -8.773) 9.077 1.522 ( 11.424 0.510 -0.347) 11.440 1.613 ( 1.003 3.886 7.062) 8.123 1.810 ( 4.423 5.005 -0.478) 6.696 1.965 ( -3.740 3.498 -5.890) 7.805 2.024 ( 3.173 -0.671 -4.235) 5.335 2.123 ( -0.072 1.785 -2.817) 3.336 2.190 ( 1.479 2.435 -4.300) 5.158 2.307 ( 0.863 -3.736 4.080) 5.599 2.381 ( -1.886 -1.260 1.246) 2.588 2.428 ( -4.278 -2.590 2.366) 5.532 2.483 ( -3.166 -1.886 3.038) 4.776 2.665 ( 3.286 -1.959 -2.076) 4.353 2.748 ( 0.240 -1.046 -3.874) 4.020 2.843 ( -7.650 -1.000 7.376) 10.674 3.106 ( -0.619 -5.020 -1.925) 5.412 3.185 ( -0.538 -4.785 -1.297) 4.987 3.230 ( 3.600 -3.262 -1.353) 5.043 3.366 ( -3.092 1.031 2.143) 3.900 3.486 ( 2.774 2.132 0.933) 3.621 3.556 ( -3.120 0.431 2.054) 3.760 3.708 ( 5.116 0.993 -1.440) 5.406 4.267 ( 2.505 2.282 2.691) 4.327 4.351 ( -0.823 2.140 -5.434) 5.898 4.588 ( -3.402 -1.813 0.602) 3.902 4.621 ( 0.508 -0.839 1.188) 1.540 4.677 ( -4.872 0.017 9.889) 11.025 4.782 ( -2.017 -3.118 8.562) 9.333 4.839 ( 1.726 -1.885 7.658) 8.073 4.962 ( -1.904 -2.818 -2.644) 4.308 5.038 ( 2.100 -4.254 -2.457) 5.343 5.067 ( -0.159 -2.522 -1.920) 3.174 5.155 ( 3.862 -3.417 -4.191) 6.645 5.251 ( 6.549 -0.437 -5.547) 8.594 5.402 ( 2.875 4.083 3.008) 5.830 5.442 ( 3.300 5.405 0.271) 6.339 5.569 ( 2.324 1.334 3.769) 4.625 5.652 ( 1.136 3.735 2.389) 4.577 5.755 ( 1.186 -3.667 -0.152) 3.857 5.972 ( -1.625 -3.966 -3.080) 5.278 6.050 ( -3.432 -1.706 -0.327) 3.847 6.099 ( -0.395 -4.489 -6.329) 7.770 6.167 ( 1.308 -5.696 -2.599) 6.396 6.205 ( 1.114 -4.533 -6.866) 8.302 6.566 ( -5.432 3.009 1.421) 6.370 6.605 ( 0.952 0.484 3.771) 3.920 6.789 ( 0.123 5.591 5.886) 8.119 6.837 ( -3.108 8.356 -1.087) 8.982 7.115 ( -0.211 4.635 0.182) 4.644 7.166 ( 1.532 3.745 -1.548) 4.332 7.310 ( -3.628 -2.753 3.970) 6.042 7.435 ( 5.756 -0.062 0.102) 5.757 7.874 ( -3.171 7.422 13.047) 15.342 7.903 ( -7.238 0.757 8.193) 10.959 8.104 ( 0.517 -1.372 1.028) 1.791 8.207 ( 0.132 -0.506 -6.515) 6.536 8.346 ( 0.434 7.615 2.683) 8.085 8.504 ( 5.437 6.121 -4.490) 9.338 8.879 ( 6.165 1.895 4.893) 8.095 9.008 ( -0.414 -0.711 -7.571) 7.615 9.430 ( -4.778 -3.546 5.216) 7.913 9.688 ( 1.194 -7.476 -7.632) 10.750 9.859 ( 1.099 4.581 -3.535) 5.890 9.943 ( 4.575 5.386 -4.894) 8.596 10.071 ( -0.656 4.076 0.874) 4.220 10.254 ( 1.722 2.561 -7.439) 8.054 10.713 ( -2.657 -2.494 4.364) 5.686 10.828 ( 0.086 -4.503 -2.467) 5.135 10.924 ( -1.529 -7.042 9.779) 12.147 11.119 ( -4.757 -5.870 -7.380) 10.561 21.349 ( -1.992 0.982 3.984) 4.562 21.495 ( 0.806 -0.051 -3.856) 3.940 21.544 ( -1.355 -1.442 1.946) 2.776 21.632 ( 1.274 -1.565 -2.166) 2.960 22.693 ( 1.138 -0.277 1.192) 1.671 22.702 ( -0.565 0.327 -0.707) 0.963 22.877 ( -0.135 -0.239 0.375) 0.465 22.891 ( 0.493 -0.406 -0.162) 0.658 23.499 ( -1.677 3.953 1.256) 4.475 23.579 ( 1.944 2.919 -2.391) 4.244 23.912 ( -1.601 -1.839 4.293) 4.937 24.028 ( 0.049 -2.319 -3.068) 3.846 26.769 ( -1.092 -0.837 2.847) 3.162 26.847 ( 0.765 -2.955 -1.089) 3.241 26.977 ( -0.560 2.008 -1.335) 2.475 26.993 ( 2.028 1.361 -0.390) 2.474 29.626 ( -1.484 1.265 -1.383) 2.391 29.663 ( 3.641 2.129 -0.239) 4.225 29.912 ( -5.168 -2.585 -1.634) 6.005 29.976 ( 6.914 -2.338 1.606) 7.473 31.974 ( 0.285 3.126 0.242) 3.148 31.983 ( -0.494 3.569 -0.863) 3.705 32.400 ( 1.381 -3.285 1.638) 3.922 32.424 ( -0.663 -2.845 -1.377) 3.229 33.554 ( 0.058 0.971 1.392) 1.698 33.583 ( -0.019 2.125 -0.643) 2.220 33.766 ( -0.887 -1.878 2.352) 3.137 33.842 ( -0.166 -2.026 -2.393) 3.140 35.337 ( -1.141 -0.752 0.296) 1.398 35.346 ( 0.057 -0.910 0.124) 0.921 35.426 ( -0.108 2.276 1.042) 2.506 35.462 ( 0.954 1.257 -0.658) 1.710 89.183 ( -2.645 -0.176 3.322) 4.250 89.310 ( 1.421 -1.678 -1.879) 2.892 89.496 ( 2.082 -2.738 9.906) 10.486 89.627 ( -5.014 -3.151 -4.276) 7.304 92.305 ( -0.502 1.664 4.383) 4.715 92.435 ( -0.525 0.117 -2.635) 2.689 92.473 ( -0.773 1.085 1.631) 2.106 92.591 ( -0.723 -0.769 -4.484) 4.606 97.867 ( -0.942 1.478 -0.791) 1.923 97.871 ( 1.297 1.173 0.244) 1.765 98.049 ( 3.291 -1.081 6.410) 7.286 98.214 ( -1.717 -3.460 -8.549) 9.381 103.704 ( -0.812 -0.176 -0.259) 0.871 103.709 ( 0.653 -0.307 0.316) 0.788 103.807 ( 0.381 1.263 0.560) 1.433 103.821 ( 0.346 1.557 -0.398) 1.644 ======================= Grid point 141 (72/112) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -14.786 -1.400 6.770) 16.322 1.055 ( -16.973 3.556 -8.460) 19.295 1.474 ( 7.674 -4.940 -4.337) 10.104 1.698 ( 5.402 -2.714 1.658) 6.268 1.703 ( -3.241 6.123 11.059) 13.050 1.840 ( 5.609 5.144 -7.750) 10.862 1.930 ( 0.967 0.269 -0.818) 1.295 2.003 ( 0.723 1.557 -0.963) 1.968 2.079 ( 0.384 3.870 -1.382) 4.127 2.225 ( 3.557 0.285 1.311) 3.802 2.331 ( -0.937 -3.690 1.293) 4.021 2.366 ( 0.682 -2.347 -4.110) 4.782 2.400 ( 0.697 0.457 0.602) 1.028 2.536 ( 1.443 -0.504 8.292) 8.432 2.701 ( 2.525 -1.130 -0.572) 2.825 2.725 ( 0.863 -2.976 -1.111) 3.292 2.841 ( -1.048 0.091 5.096) 5.203 3.064 ( -3.623 -6.361 0.540) 7.340 3.147 ( -1.212 -3.513 -2.627) 4.551 3.273 ( -2.343 -2.610 4.236) 5.499 3.320 ( -0.469 -1.677 -2.226) 2.826 3.506 ( -2.874 1.007 -0.888) 3.173 3.515 ( 1.088 3.164 -2.921) 4.442 3.731 ( 0.671 0.085 -2.725) 2.808 4.279 ( 0.221 1.311 -4.388) 4.585 4.379 ( 4.657 2.209 4.463) 6.818 4.526 ( -3.957 -2.218 -0.490) 4.562 4.620 ( -1.274 -0.456 -0.018) 1.353 4.716 ( -2.738 -0.095 8.279) 8.720 4.860 ( -1.457 -3.714 5.912) 7.132 4.886 ( -0.052 -2.519 0.704) 2.615 4.967 ( 2.379 -1.068 7.934) 8.352 5.035 ( 1.590 -1.822 -4.338) 4.967 5.088 ( 3.387 -4.535 0.007) 5.660 5.188 ( 6.297 -2.450 -4.346) 8.034 5.306 ( 6.367 -3.462 -4.330) 8.442 5.414 ( 1.203 2.032 -2.965) 3.790 5.523 ( 4.447 3.506 -2.236) 6.088 5.630 ( 3.406 2.790 -1.598) 4.684 5.667 ( 0.829 1.791 -3.103) 3.677 5.818 ( -1.973 -0.687 4.286) 4.768 5.864 ( 0.502 -0.054 -5.188) 5.213 6.025 ( -3.238 -6.248 -0.956) 7.102 6.034 ( 1.344 -0.360 1.147) 1.803 6.169 ( 0.998 -4.807 1.308) 5.081 6.220 ( 4.162 -3.889 -2.310) 6.146 6.450 ( -8.139 1.918 0.556) 8.380 6.690 ( 1.474 1.003 3.638) 4.052 6.763 ( -2.851 8.836 1.430) 9.394 6.860 ( -0.214 5.166 3.133) 6.046 7.111 ( -0.692 6.143 0.975) 6.258 7.154 ( 0.456 0.235 -5.037) 5.063 7.301 ( -1.223 -1.294 2.635) 3.180 7.539 ( 7.944 -0.271 -1.820) 8.155 7.851 ( -7.611 -1.002 6.544) 10.087 7.893 ( -8.534 4.777 5.303) 11.126 8.114 ( -0.320 0.557 3.399) 3.459 8.205 ( 3.979 -5.019 -1.964) 6.699 8.385 ( 2.275 9.915 -0.593) 10.190 8.578 ( 8.564 8.219 -1.057) 11.917 8.834 ( -5.822 0.475 -8.261) 10.118 9.017 ( 5.079 0.438 -4.213) 6.613 9.387 ( -7.854 -2.225 6.245) 10.278 9.610 ( -1.374 -7.627 -6.788) 10.302 9.851 ( 2.841 4.041 -2.650) 5.606 9.980 ( 4.929 5.978 -2.505) 8.143 10.066 ( -1.662 5.045 1.538) 5.529 10.221 ( 2.727 1.834 -5.002) 5.984 10.717 ( -3.218 -4.077 4.629) 6.958 10.792 ( -1.892 -2.343 -1.844) 3.531 10.989 ( -2.226 -5.400 -2.155) 6.226 11.042 ( -0.344 -8.649 11.531) 14.419 21.376 ( -1.235 0.454 6.364) 6.499 21.477 ( 1.754 0.413 -3.297) 3.757 21.547 ( -1.278 -1.592 2.341) 3.106 21.630 ( 1.320 -1.642 -2.078) 2.960 22.682 ( -0.138 0.894 -0.885) 1.265 22.734 ( 1.764 -1.196 1.000) 2.354 22.874 ( -0.358 -0.628 -0.164) 0.741 22.903 ( 0.898 0.275 -0.031) 0.940 23.483 ( -1.857 4.202 1.202) 4.749 23.582 ( 1.710 2.753 -2.424) 4.047 23.921 ( -2.758 -2.052 3.905) 5.203 23.991 ( -0.452 -1.861 -2.952) 3.519 26.791 ( -0.071 -1.252 2.979) 3.232 26.844 ( 0.160 -2.697 -0.640) 2.776 26.967 ( 1.407 2.440 -1.492) 3.188 27.037 ( 2.856 0.787 0.467) 2.999 29.581 ( -1.518 0.344 -2.070) 2.590 29.729 ( 4.342 3.185 -0.145) 5.387 29.824 ( -3.420 -2.522 -1.169) 4.407 30.120 ( 8.156 -2.624 1.363) 8.676 31.961 ( -0.641 3.792 -0.589) 3.890 31.988 ( 0.334 3.399 0.499) 3.452 32.394 ( -0.588 -2.859 -1.476) 3.271 32.446 ( 1.844 -3.338 1.283) 4.024 33.566 ( 0.188 1.490 0.312) 1.534 33.586 ( 0.632 0.832 0.330) 1.096 33.773 ( -1.630 -1.987 2.530) 3.606 33.808 ( -0.819 -1.867 -2.224) 3.017 35.317 ( -1.401 0.136 0.359) 1.453 35.353 ( 0.274 -0.969 0.449) 1.102 35.434 ( 0.195 1.777 0.053) 1.788 35.481 ( 1.759 1.432 0.207) 2.278 89.167 ( -3.551 -0.135 3.118) 4.728 89.302 ( 0.883 -1.238 -2.496) 2.923 89.488 ( -4.945 -1.464 -6.037) 7.939 89.635 ( 0.541 -8.930 10.488) 13.785 92.332 ( -1.575 1.208 3.477) 4.004 92.376 ( -0.922 2.086 -4.173) 4.755 92.546 ( 2.361 -0.211 9.587) 9.875 92.563 ( 1.679 -0.783 -2.722) 3.292 97.836 ( -1.214 1.008 -0.938) 1.836 97.897 ( 1.117 1.343 0.154) 1.754 98.071 ( -3.086 -2.570 -8.533) 9.431 98.177 ( 3.213 -1.470 5.194) 6.282 103.686 ( -0.769 0.165 -0.238) 0.822 103.729 ( 0.924 -0.510 0.623) 1.226 103.811 ( 0.202 1.740 -0.409) 1.799 103.830 ( 1.041 1.751 -0.336) 2.065 ======================= Grid point 142 (73/112) ======================= q-point: (-0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -16.055 7.706 -1.261) 17.854 0.769 ( -14.103 2.628 13.579) 19.754 1.533 ( -1.413 -1.087 3.561) 3.982 1.665 ( -6.818 -3.255 4.624) 8.858 1.749 ( -3.396 6.653 4.664) 8.806 1.873 ( 5.369 2.647 -5.764) 8.310 1.961 ( 5.639 -2.579 -0.576) 6.227 2.041 ( 5.895 1.293 -1.382) 6.191 2.141 ( 1.755 -1.904 2.352) 3.498 2.250 ( 0.005 1.251 -2.164) 2.499 2.288 ( -0.431 -2.014 -1.287) 2.428 2.384 ( 3.466 1.117 0.461) 3.670 2.496 ( 7.421 -1.189 2.090) 7.801 2.654 ( 2.692 3.721 5.364) 7.062 2.736 ( 1.795 0.713 1.340) 2.351 2.764 ( 4.417 -3.022 0.474) 5.373 2.893 ( 0.894 -0.292 3.121) 3.260 2.997 ( -5.701 -6.624 1.146) 8.814 3.109 ( 0.452 -2.270 -1.991) 3.053 3.236 ( -5.818 -2.750 4.039) 7.598 3.282 ( -3.735 -3.454 -2.286) 5.577 3.461 ( -1.345 4.238 -6.370) 7.768 3.482 ( 2.611 0.351 -2.238) 3.457 3.678 ( -2.404 -0.832 -4.153) 4.870 4.239 ( 0.632 1.568 -3.570) 3.950 4.456 ( -2.049 0.304 -0.568) 2.148 4.546 ( 5.943 -1.459 7.142) 9.405 4.595 ( -1.544 -1.914 0.622) 2.537 4.750 ( -1.251 -0.714 3.777) 4.042 4.875 ( -0.098 -1.816 4.190) 4.567 4.928 ( 2.457 -0.190 -3.023) 3.900 5.039 ( -1.680 0.839 4.962) 5.305 5.059 ( 2.200 -5.826 2.191) 6.602 5.179 ( 7.347 -4.940 0.145) 8.854 5.265 ( 6.210 -1.842 0.481) 6.495 5.344 ( 3.576 -3.779 -3.042) 6.027 5.409 ( 2.933 0.979 -3.005) 4.312 5.510 ( 0.074 -0.245 -7.552) 7.556 5.608 ( -3.859 1.828 -4.435) 6.157 5.623 ( 3.188 5.401 -5.080) 8.071 5.799 ( 3.233 -1.101 -0.656) 3.477 5.863 ( -5.308 -3.290 1.199) 6.359 5.982 ( -0.645 -6.021 1.459) 6.229 6.129 ( 4.478 0.950 2.285) 5.117 6.214 ( 0.463 -1.467 5.230) 5.452 6.271 ( 4.389 -1.688 -1.848) 5.053 6.337 ( -6.383 1.217 1.678) 6.711 6.671 ( -3.759 6.809 0.191) 7.781 6.767 ( -0.201 3.815 -3.377) 5.099 6.844 ( -2.773 5.414 -1.759) 6.333 7.088 ( -1.654 -1.881 -3.788) 4.541 7.136 ( 1.301 6.227 3.756) 7.388 7.319 ( 0.785 0.255 0.288) 0.874 7.621 ( 6.397 -1.459 -5.780) 8.744 7.712 ( -8.461 -0.568 -7.057) 11.033 7.864 ( -3.794 2.394 9.439) 10.451 8.171 ( -1.677 -0.759 8.258) 8.460 8.242 ( 1.370 -4.178 0.049) 4.397 8.417 ( 5.558 8.712 -2.379) 10.604 8.614 ( -6.625 2.231 -7.188) 10.026 8.795 ( 12.796 7.037 3.076) 14.924 8.961 ( -0.565 -0.218 -11.902) 11.918 9.320 ( -8.929 -1.123 6.552) 11.132 9.506 ( -2.348 -6.337 -6.340) 9.266 9.907 ( 4.438 2.595 1.073) 5.251 10.040 ( 5.136 7.339 -0.674) 8.983 10.076 ( -0.092 3.499 4.172) 5.446 10.229 ( 3.697 1.917 -3.424) 5.392 10.671 ( -6.685 -3.619 1.867) 7.828 10.748 ( -3.051 -5.239 0.460) 6.080 10.987 ( 1.013 -3.092 2.982) 4.413 11.156 ( -1.334 -8.720 9.639) 13.066 21.454 ( 0.707 -2.289 8.749) 9.071 21.481 ( 2.366 0.373 -2.079) 3.172 21.551 ( -1.313 -1.532 2.228) 3.006 21.631 ( 1.406 -1.679 -1.800) 2.835 22.681 ( 1.115 1.555 -0.618) 2.011 22.768 ( 1.375 -1.620 0.303) 2.146 22.863 ( -0.581 -0.418 -0.405) 0.823 22.912 ( 0.390 0.383 -0.492) 0.735 23.468 ( -1.414 4.315 0.953) 4.640 23.581 ( 1.630 2.374 -2.807) 4.021 23.910 ( -3.252 -1.992 3.229) 4.997 23.955 ( -0.392 -1.360 -2.199) 2.615 26.823 ( 0.344 -1.831 1.875) 2.643 26.850 ( 0.229 -3.055 1.529) 3.424 26.983 ( 2.445 2.180 -1.680) 3.682 27.082 ( 2.213 0.663 -0.063) 2.311 29.547 ( -0.967 0.429 0.680) 1.257 29.783 ( 0.679 -0.227 -0.261) 0.762 29.796 ( 2.032 1.620 0.846) 2.733 30.243 ( 6.384 -2.823 -0.993) 7.051 31.951 ( -0.070 3.959 -0.161) 3.963 31.996 ( 0.005 3.873 0.368) 3.891 32.377 ( 0.054 -2.791 -0.692) 2.876 32.484 ( 1.509 -3.556 0.710) 3.928 33.573 ( 0.805 1.550 -0.481) 1.811 33.596 ( -0.041 -0.414 0.088) 0.425 33.766 ( -1.647 -1.878 0.815) 2.627 33.774 ( -1.407 -1.919 -0.111) 2.382 35.303 ( -1.093 0.737 0.776) 1.530 35.365 ( 0.620 -0.513 0.405) 0.900 35.430 ( 0.040 1.334 -0.948) 1.637 35.519 ( 2.469 1.075 -0.084) 2.695 89.139 ( -3.830 -0.262 2.843) 4.777 89.293 ( 1.375 -1.395 -2.329) 3.044 89.352 ( -3.424 -0.324 -6.228) 7.115 89.684 ( -6.110 -15.353 3.784) 16.951 92.325 ( -0.031 2.776 -2.791) 3.937 92.336 ( -2.094 1.272 1.881) 3.089 92.577 ( 2.525 -0.847 -0.854) 2.797 92.748 ( 6.140 -5.714 12.706) 15.224 97.815 ( -0.400 0.663 0.057) 0.776 97.897 ( -0.668 -0.198 -1.303) 1.478 97.954 ( -1.207 1.593 -3.187) 3.762 98.269 ( 1.579 -1.837 4.010) 4.685 103.676 ( -0.364 0.437 0.083) 0.574 103.749 ( 0.707 -0.886 0.474) 1.229 103.810 ( 0.661 2.665 -1.052) 2.940 103.840 ( 1.118 2.371 -1.233) 2.896 ======================= Grid point 143 (74/112) ======================= q-point: (-0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -2.947 6.227 16.524) 17.902 0.752 ( -10.034 5.312 19.049) 22.176 1.510 ( -10.865 7.121 15.142) 19.951 1.604 ( -1.280 -3.645 -5.871) 7.028 1.768 ( -0.607 3.001 2.177) 3.757 1.883 ( 4.938 -1.305 -5.360) 7.404 2.039 ( 4.012 -1.264 -3.460) 5.446 2.104 ( 2.417 -1.632 2.279) 3.701 2.173 ( 2.717 -4.729 0.387) 5.467 2.245 ( -1.371 -3.102 2.477) 4.200 2.317 ( 2.240 4.801 2.643) 5.921 2.456 ( 5.020 2.931 -0.791) 5.867 2.613 ( 3.910 -1.622 1.060) 4.364 2.716 ( 1.301 0.959 0.834) 1.818 2.800 ( 2.446 3.007 3.422) 5.171 2.850 ( 3.471 -0.706 1.627) 3.898 2.897 ( -2.865 -1.375 -0.197) 3.184 2.949 ( -2.445 -3.133 4.650) 6.117 3.125 ( 0.250 -1.636 -2.263) 2.804 3.150 ( -3.232 -1.277 -1.797) 3.912 3.221 ( -0.440 -4.242 -0.412) 4.284 3.353 ( -3.163 5.194 -5.683) 8.324 3.504 ( 2.106 -2.017 -2.606) 3.910 3.577 ( -2.969 -0.216 -5.567) 6.313 4.238 ( 2.074 1.681 -0.226) 2.679 4.415 ( -0.789 3.470 -3.085) 4.710 4.589 ( -0.411 -3.842 1.903) 4.307 4.687 ( -0.591 -4.452 4.549) 6.393 4.806 ( 4.049 -1.650 6.220) 7.603 4.869 ( -2.930 1.663 -1.297) 3.610 4.976 ( 6.343 -1.607 -1.559) 6.727 5.058 ( -1.893 -2.002 5.441) 6.099 5.131 ( 1.325 -3.186 5.304) 6.327 5.250 ( 5.794 -3.173 -3.714) 7.579 5.341 ( -4.874 -2.547 -1.227) 5.635 5.354 ( 1.115 -2.567 -0.496) 2.842 5.413 ( 1.498 1.575 -3.778) 4.359 5.468 ( 5.072 -3.630 -1.657) 6.454 5.541 ( 0.057 -0.689 -0.035) 0.692 5.651 ( 4.673 3.207 -1.549) 5.876 5.764 ( -2.484 -0.197 -3.696) 4.457 5.844 ( 0.028 0.445 -0.423) 0.615 5.984 ( -1.246 -7.188 1.745) 7.501 6.142 ( -2.230 0.605 -1.793) 2.925 6.285 ( -0.465 -0.701 5.933) 5.992 6.306 ( 2.089 3.787 2.733) 5.116 6.348 ( 3.995 -3.755 0.062) 5.484 6.600 ( -2.676 3.505 -3.321) 5.521 6.671 ( -2.568 4.945 -6.941) 8.901 6.763 ( -4.111 7.189 -1.250) 8.375 6.969 ( -4.778 -0.290 -9.342) 10.497 7.229 ( 1.720 5.729 5.645) 8.225 7.328 ( 0.819 0.008 -1.310) 1.545 7.481 ( -7.267 3.577 -10.715) 13.432 7.663 ( 5.060 -5.348 0.152) 7.364 7.919 ( -1.148 -0.017 4.667) 4.806 8.208 ( 1.056 -0.363 -2.161) 2.432 8.251 ( -1.333 2.586 5.794) 6.484 8.428 ( -7.070 5.233 -4.167) 9.733 8.564 ( 8.695 0.844 4.414) 9.788 8.781 ( -5.674 1.968 -9.035) 10.849 9.064 ( 17.064 -0.287 -2.694) 17.278 9.254 ( -7.948 -0.404 7.052) 10.633 9.414 ( -0.328 -5.500 -5.452) 7.751 9.997 ( 6.727 0.375 -0.031) 6.738 10.098 ( -2.741 3.338 6.810) 8.064 10.179 ( 7.175 3.733 0.937) 8.142 10.267 ( 5.975 3.269 -2.624) 7.299 10.580 ( -7.939 -2.526 2.995) 8.853 10.649 ( -8.204 -8.178 -2.837) 11.926 11.056 ( 0.964 -1.476 5.771) 6.034 11.179 ( -4.723 -3.459 4.549) 7.415 21.506 ( 2.698 0.043 -0.891) 2.842 21.544 ( -1.253 -3.189 2.857) 4.461 21.562 ( -0.119 -4.939 5.083) 7.089 21.636 ( 1.391 -1.879 -1.352) 2.700 22.702 ( 2.029 1.981 -0.604) 2.899 22.777 ( -0.318 -0.833 -0.616) 1.084 22.852 ( -0.117 0.224 0.083) 0.266 22.904 ( -0.557 0.116 -0.481) 0.745 23.456 ( -1.173 4.094 0.736) 4.322 23.575 ( 1.849 1.898 -3.349) 4.270 23.891 ( -3.168 -1.729 2.915) 4.640 23.936 ( 0.689 -1.228 -1.677) 2.190 26.844 ( -0.176 -1.720 1.852) 2.533 26.867 ( -0.928 -3.483 2.055) 4.149 27.002 ( 2.271 1.787 -2.039) 3.537 27.095 ( 0.282 0.576 -1.642) 1.762 29.597 ( 3.452 -0.553 4.765) 5.910 29.802 ( 0.965 -0.297 0.831) 1.307 29.849 ( 2.420 1.501 2.641) 3.884 30.287 ( 2.309 -2.904 -4.321) 5.695 31.955 ( 0.525 4.199 0.126) 4.234 31.995 ( -0.350 4.104 -0.002) 4.119 32.386 ( 1.060 -2.874 0.813) 3.169 32.504 ( 0.347 -3.809 -0.237) 3.832 33.573 ( -0.424 0.259 -1.153) 1.256 33.582 ( -0.813 0.785 -0.390) 1.195 33.750 ( -0.069 -1.492 -0.330) 1.530 33.756 ( -2.068 -1.916 1.388) 3.143 35.300 ( -0.639 1.091 1.293) 1.808 35.381 ( 1.039 -0.007 0.008) 1.039 35.417 ( -0.161 1.311 -1.077) 1.704 35.532 ( 0.295 0.413 -2.523) 2.573 89.108 ( -3.604 -0.480 2.490) 4.407 89.253 ( -1.030 0.166 -5.320) 5.421 89.303 ( 2.858 -2.027 -2.045) 4.056 89.497 ( -16.997 -11.595 -0.758) 20.589 92.303 ( 0.922 2.740 -2.127) 3.590 92.320 ( -2.284 1.442 1.269) 2.984 92.625 ( 3.230 -1.150 1.153) 3.617 92.894 ( -1.674 -10.822 2.728) 11.286 97.823 ( 0.117 0.643 1.037) 1.226 97.921 ( 0.889 1.648 -0.013) 1.873 97.973 ( 6.842 -2.044 4.964) 8.696 98.305 ( -0.983 -2.139 1.517) 2.801 103.676 ( 0.027 0.586 0.471) 0.752 103.755 ( -0.155 -1.134 -0.476) 1.239 103.810 ( 1.026 3.307 -1.318) 3.705 103.836 ( 0.532 3.033 -1.826) 3.580 ======================= Grid point 144 (75/112) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.467 13.115 13.227) 18.632 1.062 ( -1.014 11.529 13.278) 17.615 1.436 ( -1.829 -5.208 -2.121) 5.914 1.586 ( 5.614 2.633 -10.092) 11.845 1.789 ( -0.178 -10.706 -0.505) 10.720 1.859 ( -0.116 -0.705 2.542) 2.641 1.947 ( -0.512 -4.678 -1.218) 4.861 2.046 ( -1.333 -8.680 -2.806) 9.219 2.192 ( 3.883 4.255 6.249) 8.499 2.280 ( -4.352 8.771 5.358) 11.161 2.480 ( 0.408 -3.650 1.880) 4.126 2.527 ( -0.406 4.158 2.708) 4.979 2.604 ( -0.357 -3.423 1.750) 3.861 2.680 ( 2.198 -2.099 -2.745) 4.095 2.836 ( -2.153 -1.095 0.859) 2.564 2.868 ( -0.593 0.342 2.135) 2.242 2.925 ( -2.802 1.582 0.635) 3.280 2.987 ( 1.353 2.902 3.762) 4.940 3.044 ( -1.989 4.153 0.619) 4.646 3.138 ( -2.033 -3.795 2.744) 5.105 3.206 ( 3.721 -3.240 2.910) 5.728 3.335 ( 0.824 2.771 -9.455) 9.887 3.382 ( 0.331 -2.698 -3.875) 4.733 3.507 ( 1.151 -1.521 -6.242) 6.527 4.379 ( 2.682 4.826 3.886) 6.751 4.443 ( -0.935 2.641 -0.488) 2.844 4.559 ( 1.425 -0.509 3.278) 3.610 4.655 ( 1.187 -2.362 2.960) 3.968 4.791 ( -4.728 0.044 -1.682) 5.018 4.816 ( 1.809 -4.669 1.183) 5.144 4.927 ( -4.653 -5.092 2.617) 7.378 4.960 ( -2.272 -5.301 0.960) 5.847 5.177 ( -4.312 -0.042 7.757) 8.875 5.235 ( -3.462 -2.543 7.906) 8.998 5.291 ( 0.415 -1.312 1.276) 1.877 5.315 ( 2.703 -1.328 1.306) 3.283 5.403 ( 0.484 -0.091 -4.260) 4.289 5.431 ( 1.844 1.288 -5.669) 6.099 5.591 ( 1.175 0.551 -2.875) 3.155 5.663 ( -0.394 -2.464 -5.605) 6.135 5.785 ( 7.538 3.018 -3.677) 8.913 5.845 ( -1.146 2.586 -3.821) 4.754 5.930 ( 8.501 -1.988 -0.078) 8.731 6.045 ( -3.136 -3.034 -4.311) 6.134 6.281 ( -1.134 0.267 2.124) 2.422 6.361 ( 3.943 -2.083 -0.011) 4.459 6.439 ( 0.729 1.997 3.394) 4.004 6.515 ( 1.689 -2.184 -3.031) 4.100 6.701 ( -5.056 3.984 -2.405) 6.871 6.763 ( -6.345 0.814 -8.783) 10.866 6.922 ( -1.573 9.341 2.213) 9.728 7.244 ( -4.664 -2.342 -7.861) 9.436 7.377 ( 2.064 2.940 2.882) 4.606 7.415 ( -3.592 2.715 -0.641) 4.548 7.710 ( 3.190 -0.657 2.533) 4.126 7.805 ( -4.275 -3.879 -2.818) 6.424 8.265 ( 6.315 1.473 4.846) 8.095 8.351 ( 1.352 1.201 7.402) 7.619 8.464 ( -3.587 6.966 -4.381) 8.977 8.643 ( -1.094 2.553 -9.253) 9.661 8.833 ( 2.461 4.898 4.023) 6.799 9.055 ( -1.502 -5.489 -5.041) 7.603 9.241 ( 1.647 -0.639 0.616) 1.871 9.299 ( 4.382 -4.367 -2.644) 6.728 10.053 ( -4.833 -1.261 2.301) 5.499 10.161 ( 4.364 -1.849 -2.404) 5.314 10.222 ( -3.874 -0.926 2.975) 4.972 10.274 ( -0.329 -0.415 0.321) 0.619 10.504 ( 3.909 0.701 1.606) 4.284 10.542 ( 1.137 0.802 -1.118) 1.785 11.113 ( -1.698 0.203 6.429) 6.653 11.147 ( -1.191 -1.406 4.441) 4.808 21.473 ( -3.320 -1.522 3.576) 5.111 21.511 ( -1.944 -2.292 2.602) 3.975 21.540 ( 2.252 0.132 -0.694) 2.360 21.597 ( 1.620 -2.307 -1.486) 3.187 22.750 ( 0.263 0.716 -0.065) 0.765 22.759 ( -0.481 0.406 -0.332) 0.711 22.869 ( 0.444 0.211 0.186) 0.526 22.885 ( -0.337 -0.352 -0.483) 0.686 23.533 ( -0.458 3.842 0.422) 3.892 23.605 ( 1.396 1.274 -2.843) 3.414 23.840 ( -2.208 -0.875 1.994) 3.101 23.900 ( 1.604 -2.518 -1.164) 3.204 26.817 ( -1.674 -0.393 2.458) 2.999 26.846 ( 0.264 -1.587 1.531) 2.221 27.042 ( 0.995 1.100 -1.236) 1.931 27.069 ( -0.539 -0.099 -2.000) 2.074 29.698 ( 2.381 0.999 5.125) 5.739 29.806 ( 0.717 -2.097 3.206) 3.897 29.939 ( 0.147 2.652 -0.234) 2.666 30.141 ( -1.869 -4.954 -6.368) 8.282 32.077 ( 0.933 5.832 0.678) 5.944 32.102 ( -0.678 6.597 -0.682) 6.666 32.333 ( 1.261 -5.305 1.535) 5.665 32.385 ( -1.048 -5.890 -0.944) 6.056 33.576 ( -1.061 1.975 0.424) 2.281 33.602 ( -0.029 1.588 -1.030) 1.893 33.701 ( -1.356 -1.634 0.996) 2.345 33.725 ( 1.816 -2.214 -0.162) 2.868 35.342 ( -0.038 1.752 1.120) 2.080 35.389 ( 0.526 -0.097 -0.981) 1.117 35.443 ( 0.443 1.108 -0.029) 1.194 35.486 ( -1.634 -0.638 -1.622) 2.390 89.076 ( -3.911 0.842 3.342) 5.212 89.164 ( -6.217 -3.021 4.180) 8.078 89.230 ( 1.649 1.135 -3.311) 3.869 89.317 ( 4.354 -2.566 -2.692) 5.726 92.333 ( -1.754 2.265 0.552) 2.918 92.358 ( 0.837 1.679 -0.882) 2.073 92.655 ( 1.908 -2.059 2.128) 3.523 92.690 ( -3.494 -3.894 1.037) 5.334 97.881 ( 1.504 2.336 2.460) 3.711 97.966 ( -0.745 2.841 -1.054) 3.120 98.050 ( 4.451 -4.349 4.257) 7.540 98.183 ( -2.638 -5.163 -2.265) 6.224 103.702 ( 0.143 0.827 0.653) 1.064 103.728 ( -0.447 -0.406 -0.428) 0.740 103.854 ( -0.096 1.658 -0.698) 1.802 103.873 ( 0.491 1.288 -2.167) 2.568 ======================= Grid point 145 (76/112) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -1.949 11.325 11.378) 16.171 1.216 ( -0.095 7.095 10.620) 12.773 1.354 ( 1.741 1.316 -6.402) 6.764 1.585 ( 8.712 5.951 -13.978) 17.513 1.743 ( -3.943 -13.261 -2.939) 14.143 1.868 ( -1.013 -3.699 -2.788) 4.742 1.886 ( -6.269 -5.480 5.443) 9.948 2.040 ( 4.123 -11.106 -1.445) 11.935 2.256 ( -3.597 4.693 4.248) 7.280 2.344 ( 2.576 6.127 6.539) 9.324 2.443 ( -5.412 -1.537 -0.660) 5.665 2.557 ( -1.039 1.508 4.527) 4.884 2.619 ( 2.167 -3.171 -2.026) 4.342 2.681 ( 2.181 -1.184 -2.874) 3.797 2.819 ( -0.977 0.264 2.803) 2.980 2.873 ( -5.453 2.475 3.503) 6.937 2.887 ( -0.878 -3.171 1.418) 3.583 2.983 ( -4.871 3.301 3.387) 6.789 3.044 ( -1.123 4.289 1.539) 4.693 3.141 ( -1.578 -3.733 3.429) 5.309 3.185 ( -4.275 0.468 -1.839) 4.678 3.319 ( 7.980 3.208 -7.808) 11.616 3.392 ( 2.272 -3.647 -0.795) 4.370 3.476 ( 3.754 -2.334 -6.061) 7.502 4.407 ( -2.449 4.387 -0.107) 5.025 4.456 ( 2.585 3.291 1.055) 4.316 4.619 ( -0.806 1.975 -0.135) 2.138 4.658 ( 0.842 0.700 1.895) 2.188 4.717 ( -5.014 -0.981 1.902) 5.452 4.820 ( -5.678 -4.191 0.220) 7.060 4.882 ( 0.691 -5.781 0.540) 5.847 4.939 ( -5.238 -7.477 6.397) 11.148 5.107 ( -7.700 1.164 0.956) 7.846 5.253 ( -2.668 -2.431 3.944) 5.346 5.296 ( -4.965 -0.494 0.557) 5.021 5.319 ( -3.200 -3.578 -0.030) 4.800 5.386 ( 0.000 1.083 4.539) 4.667 5.482 ( 4.988 -0.864 -0.584) 5.096 5.542 ( 2.909 0.444 -7.135) 7.718 5.602 ( 0.268 -2.605 -4.923) 5.576 5.735 ( -2.479 2.969 -2.706) 4.721 5.902 ( -1.067 3.037 -4.210) 5.299 5.943 ( 6.158 -2.220 -5.686) 8.670 6.094 ( 8.622 -0.910 -0.918) 8.718 6.318 ( 3.741 2.194 2.586) 5.050 6.387 ( 1.580 -1.892 -3.101) 3.961 6.449 ( -3.509 -1.784 -0.387) 3.956 6.475 ( -2.239 -2.935 -3.069) 4.801 6.639 ( 1.134 3.335 3.773) 5.161 6.700 ( 1.555 1.955 1.484) 2.906 7.016 ( 3.310 5.156 11.211) 12.776 7.083 ( -3.012 2.388 -8.319) 9.164 7.329 ( -4.815 2.248 1.624) 5.557 7.441 ( -1.107 -1.386 0.519) 1.848 7.639 ( -3.042 4.641 -0.145) 5.551 7.921 ( 10.715 -6.837 1.618) 12.813 8.280 ( -7.046 9.442 -6.071) 13.253 8.395 ( -0.608 4.898 4.142) 6.443 8.437 ( 1.316 2.468 2.989) 4.093 8.565 ( 0.566 -0.243 -5.585) 5.619 8.902 ( -1.188 0.416 2.465) 2.768 8.938 ( -2.921 -1.887 -4.008) 5.306 9.275 ( 3.433 0.007 -1.810) 3.881 9.370 ( 7.281 -6.631 -3.091) 10.321 9.965 ( -4.680 1.312 0.536) 4.890 10.185 ( -4.246 -4.082 3.064) 6.639 10.259 ( -2.109 2.818 0.736) 3.596 10.282 ( 8.381 -4.044 0.089) 9.306 10.542 ( 2.399 2.682 -3.196) 4.813 10.598 ( 5.126 -1.108 0.054) 5.245 11.107 ( -5.250 1.131 3.960) 6.673 11.182 ( -0.303 -2.493 3.636) 4.419 21.447 ( -3.698 -0.327 2.508) 4.480 21.505 ( -2.154 -2.465 2.357) 4.034 21.566 ( 1.772 -0.484 -0.573) 1.925 21.606 ( 1.437 -2.165 -1.531) 3.016 22.730 ( -1.700 1.272 -0.185) 2.131 22.759 ( -0.048 0.243 0.224) 0.334 22.869 ( -0.425 -0.022 -0.162) 0.455 22.881 ( 0.264 -0.490 -0.110) 0.567 23.539 ( 0.225 3.728 1.001) 3.866 23.603 ( 2.155 1.522 -2.753) 3.813 23.827 ( -1.880 -0.238 1.876) 2.667 23.922 ( 2.419 -3.226 -0.985) 4.151 26.807 ( -2.653 0.007 2.088) 3.376 26.852 ( -1.092 -2.175 0.591) 2.504 27.039 ( -0.082 0.840 -1.222) 1.485 27.055 ( 0.997 0.452 -0.415) 1.171 29.770 ( -0.250 1.486 2.488) 2.909 29.790 ( -1.316 2.261 -2.209) 3.424 29.975 ( -0.522 -3.304 5.349) 6.309 30.020 ( -3.644 -3.867 -6.022) 8.032 32.077 ( -1.040 5.907 -0.593) 6.027 32.102 ( 0.881 6.346 0.471) 6.424 32.340 ( -1.963 -5.565 -0.772) 5.951 32.374 ( 0.817 -5.518 0.812) 5.637 33.564 ( -0.918 1.916 0.565) 2.198 33.606 ( 1.107 1.565 -0.048) 1.917 33.690 ( -0.910 -1.069 0.450) 1.474 33.757 ( 2.332 -2.630 -0.394) 3.537 35.348 ( -0.683 1.211 0.883) 1.647 35.377 ( -0.322 0.229 -0.957) 1.035 35.447 ( -0.858 0.653 -0.548) 1.209 35.462 ( 0.691 0.203 0.578) 0.924 89.064 ( -2.115 1.181 3.852) 4.551 89.137 ( -2.821 -1.947 3.868) 5.168 89.248 ( 4.576 1.939 -2.879) 5.744 89.390 ( 7.049 -4.217 -1.490) 8.348 92.311 ( -1.590 2.804 0.694) 3.297 92.370 ( 1.155 0.536 0.018) 1.274 92.634 ( -3.337 -0.495 0.367) 3.393 92.715 ( 1.586 -4.037 2.246) 4.884 97.921 ( -1.235 2.408 -1.409) 3.051 97.937 ( 1.158 3.719 1.418) 4.145 98.058 ( -5.165 -3.105 -2.223) 6.424 98.193 ( 4.230 -7.605 1.610) 8.850 103.711 ( -0.243 0.348 0.439) 0.611 103.714 ( -0.377 0.185 -0.115) 0.435 103.842 ( -0.505 1.661 -0.422) 1.787 103.861 ( 0.115 1.115 -1.007) 1.507 ======================= Grid point 146 (77/112) ======================= q-point: ( 0.22 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -4.489 3.804 -3.176) 6.687 1.275 ( 1.558 10.117 3.566) 10.839 1.433 ( 1.346 1.652 6.999) 7.316 1.517 ( -0.482 1.419 -10.687) 10.792 1.638 ( 1.989 -3.653 -6.552) 7.761 1.842 ( -1.012 -4.537 3.146) 5.613 1.900 ( 0.800 -4.641 2.055) 5.138 2.083 ( 2.885 -9.684 -2.486) 10.406 2.250 ( -1.963 1.924 2.792) 3.918 2.324 ( -6.945 -0.683 -1.948) 7.245 2.379 ( -2.913 1.768 1.167) 3.602 2.524 ( -3.168 1.268 -2.699) 4.350 2.627 ( 0.452 -2.409 -2.727) 3.667 2.667 ( -1.981 -1.727 -2.007) 3.306 2.774 ( -8.097 0.601 1.995) 8.361 2.835 ( -4.529 -4.151 -0.934) 6.214 2.942 ( 5.795 2.179 7.950) 10.076 2.985 ( -1.686 2.086 3.333) 4.278 3.068 ( 0.973 2.019 1.003) 2.455 3.112 ( -0.182 -0.421 2.307) 2.353 3.149 ( 0.619 1.400 -0.656) 1.666 3.358 ( 3.457 0.120 -4.522) 5.693 3.431 ( 2.129 -1.789 2.942) 4.048 3.492 ( 4.808 -2.104 -4.296) 6.782 4.354 ( -2.607 4.597 -1.843) 5.597 4.491 ( 1.986 2.004 -1.523) 3.206 4.560 ( -1.431 -0.661 -2.393) 2.866 4.654 ( -3.098 -3.386 -0.120) 4.591 4.691 ( -5.581 -0.396 1.871) 5.899 4.766 ( -2.550 0.169 7.747) 8.157 4.830 ( -7.432 -3.880 2.370) 8.713 4.970 ( -1.079 -3.349 2.786) 4.488 5.003 ( -4.379 0.819 1.168) 4.605 5.202 ( -5.169 -0.586 -0.729) 5.253 5.218 ( -4.418 -1.495 1.203) 4.817 5.278 ( -2.664 -3.800 1.799) 4.978 5.421 ( -0.067 3.852 -0.611) 3.901 5.489 ( -1.308 0.700 0.604) 1.602 5.548 ( 2.120 -1.771 -6.147) 6.739 5.578 ( 4.700 -2.753 -2.525) 6.004 5.722 ( -1.478 -1.059 1.948) 2.664 5.780 ( -4.485 -0.045 -3.599) 5.750 5.959 ( 0.953 0.878 -3.445) 3.681 6.198 ( 5.998 -2.361 -2.637) 6.964 6.256 ( -4.815 -3.006 -6.253) 8.445 6.419 ( 4.570 -4.075 -4.527) 7.615 6.464 ( 3.263 2.006 -0.212) 3.836 6.508 ( 5.592 0.577 6.424) 8.537 6.738 ( -0.830 2.174 4.132) 4.742 6.783 ( 5.788 2.148 8.741) 10.701 7.004 ( 0.629 7.448 -2.268) 7.812 7.214 ( 3.680 2.636 12.656) 13.441 7.308 ( -1.193 0.518 3.625) 3.851 7.358 ( -5.880 -4.525 -1.154) 7.509 7.666 ( 3.236 12.167 0.003) 12.590 8.041 ( -3.647 -1.206 0.010) 3.841 8.152 ( 5.752 0.974 -4.529) 7.386 8.371 ( -2.795 5.318 1.824) 6.279 8.466 ( -4.945 -3.370 -6.216) 8.629 8.514 ( 0.767 3.057 4.938) 5.858 8.817 ( -4.027 3.654 -1.260) 5.582 8.955 ( 1.828 -0.078 0.081) 1.831 9.310 ( 4.065 0.164 -3.004) 5.057 9.455 ( 7.932 -7.459 -3.909) 11.568 9.942 ( 1.225 3.399 0.054) 3.613 10.137 ( -5.652 -0.416 2.882) 6.358 10.223 ( -2.453 3.788 -0.252) 4.520 10.399 ( 5.270 -8.515 -0.355) 10.020 10.533 ( 1.439 3.607 -3.898) 5.502 10.674 ( 4.713 -3.536 -1.146) 6.002 11.043 ( -6.341 1.452 1.823) 6.756 11.206 ( 0.049 -5.127 0.767) 5.185 21.415 ( -3.338 0.746 2.170) 4.050 21.495 ( -2.045 -2.607 2.112) 3.929 21.581 ( 1.077 -0.861 -1.143) 1.791 21.608 ( 1.105 -1.901 -1.938) 2.931 22.701 ( -1.584 1.720 0.016) 2.339 22.756 ( -0.642 -0.376 0.127) 0.755 22.861 ( -0.206 0.169 -0.214) 0.342 22.883 ( -0.234 -0.811 0.287) 0.891 23.558 ( 0.616 3.642 1.077) 3.848 23.614 ( 2.552 2.179 -2.220) 4.024 23.823 ( -1.233 0.031 2.066) 2.406 23.951 ( 2.457 -3.931 -1.121) 4.769 26.781 ( -2.836 -0.169 1.596) 3.259 26.828 ( -1.834 -2.497 -0.210) 3.105 27.029 ( 0.117 1.573 -0.898) 1.815 27.069 ( 0.369 0.107 0.376) 0.537 29.700 ( -2.196 2.348 -4.159) 5.257 29.797 ( -1.252 1.367 0.921) 2.070 29.892 ( -3.721 -1.609 -3.666) 5.466 30.026 ( -2.161 -4.392 5.193) 7.137 32.056 ( -0.773 5.304 -0.501) 5.383 32.116 ( 0.458 6.307 0.129) 6.325 32.297 ( -1.853 -5.169 -0.777) 5.546 32.388 ( -0.087 -5.553 0.449) 5.572 33.561 ( -0.508 1.975 0.934) 2.243 33.630 ( 1.433 1.701 0.434) 2.266 33.683 ( -0.421 -1.042 0.270) 1.156 33.786 ( 2.184 -3.078 -0.944) 3.890 35.340 ( -0.721 0.500 -0.005) 0.877 35.362 ( -0.817 -0.245 -0.220) 0.881 35.439 ( 0.162 1.522 0.127) 1.536 35.480 ( 0.134 0.127 1.098) 1.114 89.090 ( -0.143 0.724 4.119) 4.185 89.148 ( -0.817 -1.780 3.429) 3.949 89.304 ( 5.455 2.661 -2.246) 6.471 89.496 ( 6.780 -5.973 -0.256) 9.039 92.300 ( -1.110 3.158 1.279) 3.583 92.390 ( 0.895 -0.840 0.450) 1.307 92.592 ( -1.726 1.661 -0.571) 2.463 92.745 ( -0.444 -5.403 1.051) 5.522 97.878 ( -0.985 1.200 -1.894) 2.449 97.934 ( -3.557 -0.901 -2.487) 4.433 97.986 ( 0.147 4.253 0.882) 4.346 98.255 ( 1.916 -7.377 0.141) 7.623 103.699 ( -0.485 0.548 -0.314) 0.797 103.720 ( -0.186 -0.397 0.731) 0.852 103.831 ( -0.539 1.825 -0.006) 1.903 103.854 ( -0.145 0.867 -0.259) 0.916 ======================= Grid point 147 (78/112) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -1.575 1.464 -1.315) 2.520 1.276 ( -2.865 -1.966 -1.250) 3.693 1.402 ( 3.747 3.511 -9.971) 11.216 1.523 ( -1.634 4.268 10.104) 11.089 1.698 ( 7.397 2.838 -1.600) 8.082 1.854 ( 0.388 -0.940 -0.852) 1.327 1.955 ( 2.598 -3.093 3.020) 5.044 2.043 ( -3.965 -4.934 -5.298) 8.255 2.204 ( -2.804 -2.518 -0.131) 3.771 2.260 ( -1.916 -0.427 1.978) 2.787 2.314 ( -4.961 -0.787 -0.144) 5.025 2.434 ( -3.284 2.385 -3.691) 5.486 2.569 ( -2.317 1.797 -2.529) 3.873 2.617 ( -3.623 -5.163 -0.670) 6.343 2.657 ( -4.250 -0.821 -4.213) 6.041 2.748 ( -2.154 -6.893 -2.838) 7.759 2.950 ( -3.635 1.930 -0.629) 4.164 3.044 ( 0.678 -2.058 -2.992) 3.694 3.096 ( 1.773 2.677 0.442) 3.241 3.180 ( 2.809 -0.435 8.132) 8.614 3.253 ( 3.718 1.914 3.138) 5.228 3.360 ( 2.754 -2.243 1.632) 3.909 3.493 ( 1.489 -0.137 2.608) 3.006 3.542 ( 4.921 -0.713 -1.205) 5.116 4.300 ( -0.951 4.731 -1.880) 5.179 4.501 ( 1.980 -0.424 -1.449) 2.490 4.539 ( -0.403 -4.076 0.374) 4.113 4.581 ( -2.986 -2.809 -3.979) 5.713 4.645 ( -5.422 0.248 7.460) 9.226 4.743 ( -7.169 -1.466 4.367) 8.522 4.795 ( -4.629 0.759 6.008) 7.623 4.931 ( -2.732 1.974 0.948) 3.501 5.000 ( -0.933 -2.432 1.446) 2.980 5.113 ( -2.555 -2.923 -3.642) 5.323 5.189 ( -3.367 0.886 3.147) 4.693 5.254 ( -0.807 -1.472 -1.488) 2.243 5.375 ( -2.208 5.318 0.233) 5.763 5.480 ( -0.806 -1.037 -2.126) 2.499 5.546 ( 3.108 -1.944 0.044) 3.666 5.626 ( 2.986 0.343 -1.079) 3.194 5.696 ( -2.842 -0.610 -0.190) 2.913 5.720 ( 0.891 -2.869 0.866) 3.127 5.968 ( 1.007 -2.274 0.995) 2.679 6.113 ( -4.052 -6.885 -3.007) 8.536 6.229 ( 1.985 -0.060 -6.996) 7.273 6.392 ( 1.628 -4.830 -9.952) 11.181 6.526 ( 3.739 4.015 1.167) 5.609 6.658 ( 2.437 -0.463 5.302) 5.854 6.777 ( -0.311 5.806 6.181) 8.486 6.958 ( 4.403 1.009 4.892) 6.658 7.041 ( 2.511 6.556 4.482) 8.329 7.260 ( -2.552 -3.683 -2.676) 5.219 7.353 ( 0.219 2.472 4.985) 5.569 7.360 ( -2.245 3.348 8.261) 9.192 7.707 ( 2.752 10.566 0.997) 10.964 7.980 ( -2.010 -0.505 3.195) 3.809 8.198 ( 0.841 2.222 -3.379) 4.131 8.302 ( -0.961 -6.315 -8.251) 10.435 8.415 ( 0.313 6.973 5.652) 8.981 8.572 ( -2.039 2.738 6.749) 7.563 8.757 ( -1.053 6.634 -0.224) 6.721 8.982 ( 2.715 -2.119 -2.046) 4.005 9.339 ( 3.662 -0.254 -3.105) 4.808 9.532 ( 6.758 -8.045 -4.282) 11.346 9.989 ( 4.065 4.237 -0.613) 5.903 10.073 ( -5.052 4.608 2.192) 7.181 10.177 ( -2.310 2.837 -1.250) 3.866 10.425 ( 1.897 -3.363 -5.549) 6.760 10.529 ( 0.353 -2.296 1.906) 3.005 10.714 ( 2.598 -5.474 -2.340) 6.495 10.949 ( -6.147 1.262 -0.391) 6.288 11.188 ( -0.764 -7.717 -3.606) 8.552 21.390 ( -2.697 1.444 2.253) 3.799 21.486 ( -1.760 -2.699 1.950) 3.767 21.573 ( 0.353 -0.649 -2.402) 2.513 21.603 ( 1.110 -1.706 -2.135) 2.950 22.683 ( -0.885 1.723 0.330) 1.965 22.743 ( -0.798 -0.541 -0.324) 1.017 22.859 ( 0.083 -0.016 0.077) 0.115 22.880 ( -0.575 -0.899 0.427) 1.150 23.579 ( 0.539 3.821 1.019) 3.991 23.634 ( 2.385 3.038 -1.715) 4.226 23.832 ( -0.843 -0.379 2.507) 2.672 23.972 ( 1.862 -4.392 -1.597) 5.031 26.757 ( -2.195 -0.388 1.616) 2.753 26.800 ( -1.287 -2.506 -0.085) 2.818 27.019 ( -0.064 1.919 -0.982) 2.157 27.067 ( -0.691 0.096 -0.396) 0.802 29.644 ( 0.099 2.302 -2.560) 3.444 29.773 ( -0.644 -0.638 -0.901) 1.278 29.821 ( -2.737 1.498 -0.805) 3.222 30.015 ( -4.395 -4.555 2.499) 6.805 32.044 ( -0.191 4.897 -0.088) 4.902 32.118 ( -0.038 6.085 -0.479) 6.104 32.272 ( -0.812 -4.977 0.229) 5.048 32.382 ( -0.710 -5.420 -0.324) 5.476 33.566 ( -0.346 2.182 1.282) 2.555 33.652 ( 0.988 2.974 -0.325) 3.151 33.685 ( -0.098 -2.398 1.035) 2.614 33.804 ( 1.570 -3.318 -1.545) 3.982 35.330 ( -0.339 0.134 -0.119) 0.383 35.348 ( -0.670 -0.655 -0.117) 0.944 35.448 ( 0.262 1.765 0.594) 1.881 35.487 ( -0.465 0.295 0.760) 0.939 89.138 ( 0.102 0.014 4.156) 4.157 89.180 ( 0.135 -1.856 3.483) 3.949 89.366 ( 4.665 3.102 -1.500) 5.799 89.582 ( 3.796 -6.838 -0.315) 7.828 92.304 ( -0.699 3.175 2.084) 3.862 92.406 ( 0.264 -1.635 0.692) 1.795 92.562 ( -0.481 2.323 -1.917) 3.051 92.716 ( -2.575 -4.825 -1.773) 5.749 97.852 ( -0.131 0.738 -1.066) 1.303 97.880 ( -0.349 -0.478 -0.230) 0.635 97.996 ( -0.274 4.907 0.206) 4.919 98.258 ( -0.088 -6.607 -2.115) 6.938 103.692 ( -0.127 0.545 -0.015) 0.560 103.721 ( -0.446 -0.764 0.342) 0.948 103.826 ( -0.334 1.827 0.362) 1.893 103.849 ( -0.239 0.732 -0.060) 0.772 ======================= Grid point 148 (79/112) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.424 -0.780 4.374) 4.463 1.221 ( -0.478 -6.016 -1.083) 6.131 1.416 ( 9.567 5.921 -9.224) 14.549 1.612 ( -1.155 4.188 10.157) 11.047 1.707 ( -3.043 3.533 -7.279) 8.644 1.839 ( 0.639 -0.178 -2.585) 2.669 1.959 ( 2.098 -0.782 -0.027) 2.239 2.044 ( 2.744 -3.827 2.805) 5.481 2.170 ( -2.648 0.796 0.440) 2.800 2.236 ( -1.884 -2.433 -0.813) 3.183 2.255 ( -2.371 0.268 0.626) 2.467 2.363 ( -0.041 1.973 -3.453) 3.977 2.502 ( -4.446 1.182 -2.283) 5.136 2.523 ( -3.709 0.161 -1.636) 4.057 2.591 ( -0.380 -4.565 -1.720) 4.893 2.700 ( -1.849 -7.498 -1.031) 7.791 2.881 ( -3.385 0.905 -1.279) 3.730 3.020 ( 2.309 -5.262 -6.299) 8.527 3.104 ( -0.917 -1.336 1.799) 2.421 3.169 ( -4.932 -4.539 -0.887) 6.761 3.382 ( 3.792 5.245 6.807) 9.393 3.460 ( 2.238 0.284 3.256) 3.961 3.550 ( 0.738 0.257 3.824) 3.903 3.619 ( 6.954 -0.912 -1.379) 7.148 4.294 ( 0.938 4.517 0.681) 4.663 4.483 ( -2.756 0.589 -2.691) 3.897 4.536 ( 1.615 -3.872 -1.039) 4.322 4.556 ( 1.519 -2.195 0.817) 2.792 4.654 ( -4.927 -0.320 8.909) 10.185 4.705 ( -5.185 -2.064 7.072) 9.009 4.762 ( -4.875 2.018 5.337) 7.505 4.919 ( 0.209 -0.946 -0.185) 0.987 4.986 ( -1.937 -2.650 -0.231) 3.291 5.048 ( -1.036 -4.528 -4.125) 6.213 5.139 ( -2.533 1.357 -1.705) 3.341 5.225 ( 2.698 -1.377 -5.832) 6.571 5.413 ( 2.811 5.509 4.282) 7.522 5.467 ( 0.591 0.508 1.629) 1.806 5.607 ( 1.810 -0.105 0.560) 1.897 5.638 ( 0.458 1.107 1.189) 1.687 5.685 ( 1.721 2.449 0.928) 3.134 5.788 ( 2.727 -7.001 3.498) 8.288 5.994 ( 1.118 -3.103 0.931) 3.427 6.047 ( -1.764 -5.628 -1.052) 5.991 6.149 ( -0.283 -0.970 -9.305) 9.360 6.264 ( -1.252 -4.115 -13.792) 14.447 6.592 ( 1.945 3.363 2.477) 4.607 6.685 ( -3.223 -0.423 2.808) 4.295 6.845 ( -0.526 7.066 5.769) 9.137 7.001 ( 0.037 2.756 -0.677) 2.838 7.156 ( 2.370 3.881 5.855) 7.413 7.232 ( -0.201 -0.767 1.701) 1.877 7.353 ( -4.946 4.227 3.342) 7.315 7.376 ( -1.237 1.578 2.663) 3.333 7.811 ( 3.632 4.587 6.816) 8.983 8.011 ( 0.260 -3.182 -0.227) 3.200 8.130 ( -2.592 6.129 -0.072) 6.655 8.255 ( 1.687 -1.931 -4.562) 5.233 8.483 ( -0.955 7.418 5.576) 9.329 8.573 ( -0.727 4.198 1.597) 4.550 8.824 ( 4.722 5.106 4.681) 8.384 8.992 ( 1.830 -3.619 -3.007) 5.049 9.358 ( 2.059 -1.186 -2.085) 3.161 9.564 ( 3.564 -8.305 -5.729) 10.700 9.995 ( -2.374 4.702 0.323) 5.277 10.077 ( 3.893 8.937 -2.764) 10.132 10.130 ( -2.143 1.092 1.324) 2.745 10.372 ( 0.440 0.710 -6.468) 6.522 10.580 ( 0.740 -5.744 5.393) 7.913 10.715 ( 1.051 -5.932 -2.178) 6.406 10.845 ( -5.434 -0.357 -1.391) 5.620 11.099 ( -2.768 -8.921 -7.466) 11.958 21.378 ( -2.090 1.835 2.656) 3.846 21.481 ( -1.293 -2.552 1.694) 3.325 21.547 ( 0.201 0.033 -2.936) 2.943 21.597 ( 1.097 -1.948 -2.295) 3.204 22.681 ( 0.030 1.309 0.689) 1.480 22.726 ( -0.600 -0.216 -0.650) 0.911 22.865 ( 0.380 -0.350 0.244) 0.571 22.874 ( -0.602 -0.874 0.298) 1.103 23.595 ( -0.111 4.332 1.120) 4.476 23.650 ( 1.864 3.720 -1.733) 4.507 23.848 ( -0.904 -1.307 3.048) 3.437 23.974 ( 0.925 -4.507 -2.128) 5.069 26.748 ( -1.246 -0.386 1.879) 2.287 26.789 ( -0.194 -2.369 0.161) 2.383 27.009 ( 0.263 1.692 -0.999) 1.982 27.042 ( -0.998 0.470 -1.362) 1.753 29.652 ( 2.710 2.679 -0.352) 3.827 29.745 ( -3.006 3.914 -0.632) 4.975 29.809 ( 3.158 -3.485 0.029) 4.703 29.945 ( -5.394 -4.303 -0.378) 6.911 32.048 ( 0.380 4.902 0.456) 4.938 32.106 ( -0.426 5.877 -1.046) 5.985 32.277 ( 0.402 -5.074 1.247) 5.241 32.362 ( -0.759 -5.295 -1.029) 5.447 33.577 ( -0.270 2.384 1.555) 2.859 33.652 ( 0.192 3.288 -1.201) 3.506 33.701 ( -0.109 -2.841 1.858) 3.396 33.803 ( 0.727 -3.345 -2.009) 3.969 35.326 ( -0.068 -0.126 0.051) 0.152 35.338 ( -0.400 -0.651 -0.158) 0.780 35.458 ( 0.080 1.660 0.812) 1.850 35.485 ( -0.357 0.577 0.158) 0.697 89.173 ( -1.087 -0.021 3.693) 3.850 89.225 ( 0.410 -2.572 3.486) 4.351 89.418 ( 2.764 2.488 0.137) 3.722 89.601 ( 0.064 -5.959 -1.843) 6.238 92.321 ( -0.500 2.821 2.972) 4.128 92.415 ( -0.273 -1.590 1.191) 2.005 92.533 ( 0.080 1.994 -2.992) 3.596 92.639 ( -2.581 -2.767 -3.969) 5.484 97.862 ( 1.482 1.112 0.613) 1.951 97.905 ( 1.608 -0.444 1.823) 2.471 97.984 ( -0.706 3.811 -0.079) 3.876 98.210 ( -1.433 -5.799 -4.360) 7.396 103.694 ( 0.241 0.327 0.263) 0.484 103.714 ( -0.590 -0.528 -0.020) 0.792 103.828 ( 0.014 1.517 0.483) 1.592 103.846 ( 0.004 0.727 -0.144) 0.741 ======================= Grid point 149 (80/112) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -5.896 2.134 4.933) 7.978 1.247 ( 2.094 -4.197 -1.358) 4.883 1.469 ( 4.916 1.303 -8.834) 10.193 1.522 ( 0.755 0.070 -8.693) 8.726 1.725 ( -1.466 5.467 11.469) 12.790 1.857 ( 2.204 0.141 -0.359) 2.237 2.011 ( 3.976 -0.100 -3.134) 5.063 2.042 ( 0.831 1.720 -4.729) 5.100 2.185 ( -0.079 3.641 0.344) 3.658 2.221 ( 1.508 -3.618 5.165) 6.484 2.229 ( -2.062 0.077 0.972) 2.281 2.356 ( 2.755 1.534 -4.483) 5.480 2.405 ( -7.211 0.471 3.919) 8.221 2.462 ( -1.999 -0.237 -0.403) 2.053 2.600 ( 2.345 -4.330 -0.351) 4.937 2.663 ( -1.268 -5.935 -0.877) 6.132 2.824 ( -2.625 -0.710 0.113) 2.722 2.970 ( -0.486 -7.219 -5.538) 9.112 3.083 ( -2.864 -3.366 1.617) 4.706 3.145 ( 0.719 -4.411 2.243) 5.001 3.422 ( -3.585 3.888 1.883) 5.614 3.526 ( -0.312 0.534 3.515) 3.569 3.579 ( 1.951 2.364 -0.790) 3.166 3.708 ( 4.904 -1.284 -1.924) 5.422 4.333 ( 0.662 3.939 2.992) 4.990 4.414 ( -0.434 3.598 -4.073) 5.452 4.531 ( -2.842 -3.645 0.812) 4.693 4.585 ( 1.885 -2.742 -1.032) 3.484 4.680 ( -3.869 0.237 9.636) 10.386 4.725 ( -2.424 -2.145 7.322) 8.005 4.807 ( 1.545 0.056 7.475) 7.634 4.900 ( -2.113 -2.718 -3.438) 4.866 4.949 ( -0.509 -3.264 0.269) 3.314 4.991 ( -0.272 -4.915 -2.594) 5.564 5.121 ( 3.901 0.854 -3.683) 5.432 5.227 ( 5.073 -1.964 -5.472) 7.716 5.483 ( -0.118 3.409 3.006) 4.546 5.537 ( 4.893 2.697 0.088) 5.588 5.608 ( 0.935 2.241 0.036) 2.429 5.692 ( 4.586 -0.580 -2.768) 5.388 5.757 ( 1.926 3.749 6.129) 7.438 5.854 ( -0.074 -4.948 5.653) 7.513 6.010 ( -0.641 -2.192 -1.585) 2.780 6.028 ( -0.377 -5.625 -5.461) 7.849 6.040 ( 1.280 -2.133 -9.033) 9.369 6.105 ( 1.805 -4.207 -8.363) 9.534 6.628 ( -4.975 2.496 2.376) 6.052 6.653 ( 0.421 2.665 2.476) 3.662 6.884 ( -1.912 3.815 5.645) 7.076 6.976 ( -1.840 3.164 -0.194) 3.665 7.224 ( 0.639 5.099 2.952) 5.926 7.240 ( -3.341 2.959 2.698) 5.215 7.321 ( -3.254 3.430 4.260) 6.364 7.412 ( 2.534 -1.944 2.058) 3.800 7.897 ( -3.673 -0.340 4.852) 6.095 7.970 ( 1.364 -0.658 -3.281) 3.614 8.134 ( -1.869 4.572 3.010) 5.784 8.218 ( -0.581 1.058 -4.382) 4.545 8.523 ( 1.277 8.346 4.446) 9.542 8.625 ( 4.762 4.341 -0.117) 6.445 8.929 ( 0.298 2.217 2.155) 3.106 8.989 ( 3.571 -0.700 -2.538) 4.437 9.356 ( -0.910 -2.420 -0.129) 2.588 9.524 ( 0.864 -7.810 -7.548) 10.896 9.973 ( -1.568 5.869 1.299) 6.212 10.059 ( 0.932 4.777 -2.990) 5.712 10.169 ( 2.060 4.842 1.762) 5.549 10.310 ( 0.059 1.738 -5.718) 5.977 10.650 ( 0.167 -3.198 3.149) 4.491 10.715 ( 1.290 -4.662 -0.843) 4.910 10.772 ( -3.596 -5.807 4.554) 8.209 10.955 ( -3.958 -9.035 -8.058) 12.737 21.380 ( -1.687 1.960 3.408) 4.278 21.481 ( -0.461 -1.923 0.974) 2.204 21.522 ( 0.076 0.166 -1.992) 2.001 21.590 ( 1.147 -2.259 -2.354) 3.458 22.696 ( 0.685 0.603 0.859) 1.253 22.711 ( -0.198 0.366 -0.812) 0.913 22.867 ( -0.412 -0.544 0.159) 0.700 22.878 ( 0.822 -0.786 0.196) 1.154 23.597 ( -1.060 4.886 1.015) 5.102 23.656 ( 1.348 3.759 -1.912) 4.427 23.864 ( -1.477 -2.111 3.359) 4.233 23.958 ( 0.163 -4.193 -2.409) 4.838 26.755 ( -0.520 -0.335 1.875) 1.975 26.792 ( 0.376 -2.164 -0.066) 2.197 27.010 ( 0.499 1.187 -0.703) 1.467 27.020 ( 0.837 0.895 -1.077) 1.632 29.671 ( -2.910 3.000 -1.091) 4.319 29.727 ( 4.610 3.777 0.044) 5.960 29.839 ( -4.790 -4.136 -1.249) 6.451 29.908 ( 6.354 -4.002 1.109) 7.590 32.065 ( 0.740 5.249 0.874) 5.373 32.084 ( -0.549 5.776 -1.312) 5.949 32.307 ( 1.104 -5.333 1.595) 5.675 32.337 ( -0.451 -5.225 -1.531) 5.463 33.590 ( -0.262 2.398 1.764) 2.988 33.638 ( -0.110 2.988 -1.340) 3.277 33.716 ( -0.673 -2.722 2.089) 3.496 33.785 ( -0.084 -3.227 -2.212) 3.913 35.327 ( -0.227 -0.166 0.165) 0.326 35.333 ( 0.164 -0.392 -0.143) 0.448 35.466 ( -0.180 1.503 0.760) 1.694 35.485 ( 0.472 0.661 -0.030) 0.812 89.183 ( -2.406 0.328 3.394) 4.173 89.257 ( -0.253 -2.996 1.911) 3.562 89.459 ( 0.226 -0.300 2.917) 2.942 89.550 ( -2.572 -3.809 -3.561) 5.814 92.348 ( -0.740 2.256 3.510) 4.238 92.424 ( -0.403 -1.056 1.114) 1.587 92.506 ( 0.337 1.720 -1.739) 2.469 92.569 ( -0.440 -1.262 -3.885) 4.108 97.900 ( 1.581 1.771 1.051) 2.596 97.913 ( -0.996 2.428 -1.393) 2.971 98.021 ( 2.506 -1.199 4.249) 5.077 98.124 ( -2.045 -4.659 -5.855) 7.757 103.702 ( -0.280 0.050 0.045) 0.288 103.705 ( 0.249 -0.070 0.213) 0.335 103.836 ( 0.333 1.240 0.341) 1.328 103.848 ( 0.671 0.857 -0.311) 1.133 ======================= Grid point 150 (81/112) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -7.680 8.226 6.879) 13.190 1.140 ( -8.372 3.936 -6.898) 11.540 1.398 ( 3.517 -2.114 -6.848) 7.983 1.603 ( 5.566 -6.816 0.898) 8.845 1.803 ( 0.285 1.712 4.740) 5.047 1.836 ( -1.447 -1.841 -4.086) 4.709 2.008 ( 1.538 4.185 -5.102) 6.775 2.043 ( 1.529 2.328 0.739) 2.882 2.202 ( -0.514 4.847 -0.210) 4.879 2.239 ( -2.566 3.403 3.296) 5.388 2.272 ( 3.389 0.243 2.561) 4.254 2.361 ( 1.349 -1.969 4.196) 4.827 2.385 ( 0.953 0.912 -2.541) 2.863 2.493 ( 4.535 -2.937 5.149) 7.463 2.634 ( 1.805 -5.342 -0.656) 5.677 2.668 ( 2.720 -3.177 0.961) 4.291 2.812 ( -0.426 -2.168 2.154) 3.086 2.907 ( -2.114 -7.175 -1.771) 7.687 3.065 ( -1.353 -2.370 0.702) 2.818 3.194 ( 0.256 -4.802 4.154) 6.355 3.350 ( -5.255 4.017 -1.344) 6.749 3.502 ( -3.172 -1.350 -0.406) 3.471 3.595 ( 1.639 3.895 -3.344) 5.389 3.719 ( 0.255 -1.441 -3.477) 3.772 4.327 ( -1.227 3.360 -1.732) 3.974 4.428 ( 2.451 2.234 1.977) 3.861 4.476 ( -3.362 -2.433 -0.422) 4.171 4.583 ( -0.394 -3.487 -1.963) 4.021 4.719 ( -2.503 0.498 6.887) 7.345 4.786 ( -1.064 -3.035 7.530) 8.188 4.840 ( 0.413 -0.995 -0.319) 1.124 4.936 ( 3.236 -0.876 6.088) 6.950 4.955 ( 0.250 -5.017 1.126) 5.148 5.000 ( 3.391 -3.198 -0.748) 4.721 5.170 ( 5.876 0.638 -2.587) 6.452 5.256 ( 3.022 -1.917 -1.792) 4.003 5.477 ( -0.267 4.134 -2.239) 4.709 5.569 ( 2.366 1.582 -4.429) 5.264 5.662 ( 5.740 -0.403 -1.489) 5.944 5.705 ( 1.649 -0.210 -3.203) 3.609 5.822 ( -3.505 -0.351 -6.245) 7.170 5.850 ( -0.573 -0.503 -1.545) 1.723 5.893 ( 0.315 -2.028 -1.701) 2.666 6.023 ( 3.481 -3.682 0.395) 5.083 6.076 ( 4.738 -1.347 2.096) 5.353 6.136 ( 5.364 -3.475 -2.121) 6.734 6.544 ( -6.566 5.609 1.189) 8.717 6.700 ( 0.240 -0.366 2.644) 2.680 6.905 ( -2.256 3.981 5.484) 7.142 6.967 ( -0.145 3.407 1.709) 3.814 7.172 ( -5.815 3.450 -0.749) 6.803 7.254 ( -0.369 6.415 2.099) 6.760 7.344 ( 0.163 3.587 3.525) 5.032 7.474 ( 2.540 -5.235 1.113) 5.924 7.831 ( -5.513 -0.124 0.149) 5.516 7.969 ( -1.837 -0.462 0.471) 1.952 8.099 ( -3.439 0.473 0.701) 3.541 8.172 ( -0.916 0.506 -1.798) 2.080 8.607 ( 3.997 9.420 1.630) 10.362 8.715 ( 7.115 4.468 -0.975) 8.458 8.875 ( -3.290 3.583 -3.528) 6.009 9.023 ( 2.852 -0.149 -5.130) 5.872 9.325 ( -4.323 -2.843 2.478) 5.737 9.449 ( -0.050 -7.193 -7.041) 10.066 9.969 ( -0.242 6.709 1.550) 6.890 10.083 ( 2.759 3.690 1.279) 4.782 10.196 ( -0.201 5.883 -0.521) 5.910 10.259 ( 0.822 1.240 -3.824) 4.103 10.617 ( -3.942 -4.441 0.256) 5.944 10.716 ( -1.126 -4.689 -4.194) 6.391 10.846 ( 1.238 -6.889 4.918) 8.555 10.864 ( -0.527 -6.842 6.832) 9.683 21.398 ( -1.425 1.606 4.567) 5.047 21.486 ( 0.882 -0.483 -0.669) 1.208 21.509 ( -0.581 -0.838 0.397) 1.094 21.585 ( 1.262 -2.470 -2.187) 3.533 22.704 ( 0.501 1.001 -0.725) 1.334 22.720 ( 1.031 -0.192 0.771) 1.302 22.863 ( -0.156 -0.186 -0.007) 0.243 22.894 ( 0.943 -0.970 -0.003) 1.353 23.584 ( -1.500 4.970 0.554) 5.220 23.652 ( 0.775 3.186 -2.046) 3.865 23.870 ( -2.177 -2.331 3.045) 4.410 23.933 ( -0.143 -3.486 -2.080) 4.062 26.769 ( -0.027 -0.599 1.670) 1.775 26.796 ( 0.372 -1.827 -0.249) 1.881 27.011 ( 1.267 1.748 -0.852) 2.321 27.047 ( 2.276 0.096 0.252) 2.292 29.607 ( -2.635 2.214 -1.338) 3.693 29.754 ( -3.465 -3.900 -1.112) 5.334 29.817 ( 5.584 5.031 0.383) 7.526 30.041 ( 7.713 -4.695 1.149) 9.103 32.063 ( -0.371 5.609 -1.094) 5.726 32.088 ( 0.839 5.841 0.890) 5.967 32.309 ( -0.443 -5.132 -1.380) 5.332 32.350 ( 1.601 -5.589 1.150) 5.927 33.605 ( -0.320 2.243 1.742) 2.858 33.622 ( -0.092 2.489 -1.220) 2.773 33.723 ( -1.250 -2.588 2.119) 3.571 33.755 ( -0.650 -3.010 -2.112) 3.734 35.323 ( -0.259 0.412 0.132) 0.504 35.340 ( 0.774 -0.375 -0.010) 0.860 35.467 ( -0.149 1.442 -0.038) 1.451 35.501 ( 1.083 0.259 0.494) 1.218 89.169 ( -3.477 0.562 3.045) 4.656 89.258 ( -0.875 -2.928 0.285) 3.069 89.454 ( -3.599 -1.535 -4.500) 5.963 89.479 ( -3.198 -4.662 4.497) 7.224 92.367 ( -1.307 1.916 2.906) 3.718 92.410 ( -0.527 0.747 -2.092) 2.283 92.539 ( 1.946 -0.421 4.393) 4.823 92.545 ( 1.414 -0.762 -2.045) 2.601 97.867 ( -1.705 1.890 -1.683) 3.051 97.927 ( -0.041 0.859 -0.786) 1.165 98.026 ( -1.360 -0.902 -3.481) 3.844 98.125 ( 3.149 -3.219 3.827) 5.909 103.694 ( -0.318 0.580 -0.111) 0.671 103.718 ( 0.578 -0.507 0.412) 0.872 103.845 ( 0.646 1.380 -0.051) 1.525 103.861 ( 1.497 0.928 -0.604) 1.862 ======================= Grid point 151 (82/112) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -7.689 10.602 0.951) 13.132 0.961 ( -7.736 14.992 6.838) 18.203 1.413 ( 2.692 -8.516 -0.714) 8.960 1.639 ( -1.130 -1.581 -0.872) 2.130 1.777 ( 1.733 -8.940 -3.514) 9.761 1.862 ( 1.809 -0.514 -0.056) 1.882 1.971 ( -2.823 4.124 2.847) 5.752 2.064 ( 0.952 -1.666 -1.665) 2.541 2.141 ( -2.966 6.435 -1.686) 7.284 2.268 ( -2.001 2.536 6.586) 7.336 2.344 ( 2.915 5.008 -0.947) 5.871 2.433 ( 6.305 2.695 1.567) 7.034 2.457 ( 5.706 -2.624 2.372) 6.713 2.648 ( 1.170 -5.574 -0.500) 5.717 2.687 ( 8.980 -3.250 5.856) 11.203 2.753 ( 6.117 -0.453 1.863) 6.410 2.837 ( -0.680 -3.864 3.455) 5.228 2.873 ( -1.406 -4.439 1.321) 4.840 3.053 ( -0.891 -1.095 0.532) 1.509 3.206 ( -4.233 -3.420 2.368) 5.935 3.244 ( -4.914 3.234 -2.075) 6.238 3.450 ( -0.304 -3.145 -3.042) 4.386 3.552 ( -0.915 3.841 -5.501) 6.771 3.656 ( -2.346 -1.325 -4.321) 5.093 4.296 ( -0.187 3.838 -1.334) 4.068 4.436 ( -0.518 -1.151 0.083) 1.265 4.500 ( 1.726 -2.936 3.727) 5.048 4.548 ( -0.929 -3.039 -0.715) 3.258 4.746 ( -0.952 0.507 3.400) 3.567 4.820 ( 0.280 -2.955 2.399) 3.816 4.917 ( 3.851 -1.735 3.714) 5.625 4.963 ( -1.057 -1.369 2.024) 2.662 5.029 ( 1.016 -1.368 3.787) 4.153 5.080 ( 4.655 -3.963 3.107) 6.857 5.234 ( 2.650 -0.588 0.625) 2.786 5.287 ( 2.221 -1.816 0.488) 2.910 5.459 ( 2.585 3.414 -3.404) 5.470 5.532 ( 0.974 1.900 -7.370) 7.673 5.632 ( -2.619 0.270 -9.502) 9.860 5.671 ( 0.616 -3.195 -6.230) 7.029 5.772 ( 4.692 -0.761 1.096) 4.878 5.844 ( 0.754 3.787 -4.577) 5.989 5.873 ( -1.035 -3.801 2.166) 4.496 6.101 ( 2.998 -4.724 0.988) 5.682 6.173 ( 4.837 -1.176 0.750) 5.035 6.213 ( 4.371 -1.212 1.092) 4.665 6.457 ( -5.437 6.802 1.043) 8.770 6.679 ( -3.647 -2.822 -1.506) 4.851 6.930 ( -2.414 7.226 0.079) 7.619 6.991 ( 1.583 7.449 0.323) 7.622 7.071 ( -4.637 1.423 0.749) 4.908 7.250 ( -0.095 3.349 -1.147) 3.541 7.379 ( 0.074 3.925 1.918) 4.369 7.501 ( 0.224 -7.569 -1.644) 7.749 7.739 ( -5.073 2.780 -1.230) 5.914 7.940 ( -1.290 4.397 2.077) 5.031 8.086 ( -2.342 -7.799 5.334) 9.735 8.142 ( -0.657 -2.983 -0.530) 3.101 8.670 ( 5.012 10.577 -3.610) 12.249 8.713 ( -5.655 8.273 -2.438) 10.313 8.890 ( 10.476 0.666 -4.017) 11.240 8.958 ( -1.441 0.289 -6.821) 6.978 9.277 ( -5.716 -2.437 3.763) 7.265 9.373 ( -0.598 -5.904 -6.122) 8.526 10.000 ( 1.726 6.074 0.664) 6.350 10.152 ( 2.199 2.956 3.074) 4.798 10.173 ( -0.584 4.827 0.459) 4.884 10.262 ( 2.110 0.233 -0.934) 2.319 10.552 ( -5.755 -6.800 1.456) 9.026 10.618 ( -3.081 -5.530 -4.237) 7.617 10.928 ( 2.785 -1.966 5.969) 6.874 10.997 ( 1.299 -5.742 10.449) 11.993 21.432 ( -1.288 0.277 5.638) 5.789 21.496 ( 1.962 0.773 -1.742) 2.736 21.509 ( -1.290 -1.969 2.273) 3.273 21.584 ( 1.401 -2.541 -1.902) 3.470 22.713 ( 1.415 1.272 -0.507) 1.969 22.745 ( 1.090 -0.639 0.601) 1.399 22.861 ( -0.040 0.335 -0.115) 0.356 22.904 ( 0.372 -1.003 -0.418) 1.149 23.564 ( -1.314 4.499 0.005) 4.687 23.637 ( 0.404 2.306 -2.321) 3.297 23.863 ( -2.153 -1.972 2.269) 3.698 23.911 ( -0.293 -2.702 -1.275) 3.002 26.789 ( 0.211 -1.041 1.650) 1.962 26.803 ( 0.497 -1.541 0.437) 1.677 27.028 ( 1.667 1.961 -0.914) 2.731 27.083 ( 1.738 -0.524 -0.070) 1.817 29.573 ( -1.065 2.126 1.118) 2.628 29.716 ( -1.168 -3.904 1.174) 4.241 29.899 ( 4.516 5.996 -0.651) 7.535 30.157 ( 6.017 -5.254 -1.014) 8.051 32.052 ( 0.140 5.486 -0.491) 5.510 32.107 ( 0.580 6.327 0.456) 6.369 32.293 ( 0.102 -4.998 -0.701) 5.048 32.383 ( 1.211 -5.832 0.677) 5.995 33.607 ( -0.671 1.684 -0.417) 1.860 33.618 ( 0.120 2.375 0.607) 2.455 33.721 ( -1.709 -2.730 1.330) 3.485 33.723 ( -0.572 -2.464 -1.094) 2.756 35.323 ( -0.025 1.099 0.342) 1.151 35.357 ( 1.303 -0.374 -0.104) 1.359 35.461 ( -0.236 1.578 -0.581) 1.698 35.523 ( 1.009 -0.759 -0.016) 1.263 89.140 ( -3.919 0.607 2.721) 4.810 89.243 ( -1.075 -3.365 0.052) 3.533 89.348 ( -3.086 0.030 -4.713) 5.634 89.439 ( -7.205 -6.969 3.130) 10.501 92.368 ( -1.633 1.672 1.666) 2.870 92.379 ( 0.057 1.908 -2.358) 3.033 92.561 ( 2.018 -0.412 -0.116) 2.063 92.641 ( 2.304 -4.212 6.329) 7.944 97.835 ( -0.637 1.136 -0.226) 1.321 97.884 ( -1.398 -0.952 -1.538) 2.286 98.011 ( 0.639 3.718 -0.392) 3.793 98.202 ( 1.729 -4.292 2.493) 5.256 103.691 ( -0.046 0.929 0.065) 0.933 103.730 ( 0.401 -0.877 0.244) 0.994 103.855 ( 0.799 1.665 -0.451) 1.901 103.879 ( 1.950 0.954 -1.510) 2.645 ======================= Grid point 152 (83/112) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -1.739 14.624 7.473) 16.515 0.979 ( -5.378 14.990 12.963) 20.534 1.445 ( -0.729 -10.248 2.765) 10.639 1.609 ( 1.553 2.643 -3.993) 5.034 1.784 ( 2.140 -10.582 -2.320) 11.043 1.855 ( -0.179 -1.483 -1.709) 2.269 1.972 ( -3.022 2.017 3.030) 4.731 2.053 ( 2.149 -4.103 -1.759) 4.954 2.120 ( 0.478 2.017 0.691) 2.185 2.286 ( -2.719 6.911 4.497) 8.682 2.414 ( 2.849 2.474 4.156) 5.614 2.514 ( 1.967 1.054 -0.904) 2.408 2.561 ( 3.466 -2.752 2.375) 5.023 2.661 ( 2.009 -3.844 -0.812) 4.413 2.829 ( 2.153 -0.275 2.308) 3.169 2.844 ( -1.101 -0.541 4.964) 5.113 2.897 ( 4.510 -1.884 0.992) 4.987 2.927 ( 2.674 2.296 4.628) 5.818 3.068 ( 3.439 -4.002 1.499) 5.485 3.116 ( -5.105 -0.076 -1.930) 5.458 3.171 ( -2.571 0.671 -0.160) 2.662 3.416 ( -1.169 -5.251 -2.870) 6.097 3.459 ( -1.424 3.795 -7.396) 8.434 3.570 ( -1.492 -0.901 -5.127) 5.415 4.308 ( 1.450 4.656 1.989) 5.267 4.446 ( 1.028 0.361 -0.176) 1.103 4.524 ( -0.157 -2.930 1.270) 3.198 4.588 ( 1.618 -4.676 4.177) 6.476 4.773 ( 1.046 -0.716 1.924) 2.304 4.845 ( -0.307 -3.386 0.887) 3.514 4.949 ( -2.269 -0.843 0.825) 2.557 4.984 ( -0.532 -3.250 1.663) 3.689 5.095 ( 1.134 -0.076 7.212) 7.301 5.181 ( 2.329 -4.290 4.312) 6.513 5.261 ( 0.067 -0.570 1.682) 1.777 5.326 ( 0.487 -2.699 -1.384) 3.072 5.441 ( -0.415 1.648 -5.746) 5.992 5.503 ( 2.312 3.829 -7.886) 9.066 5.522 ( 2.540 -0.326 1.488) 2.962 5.662 ( 5.999 -2.169 -6.111) 8.834 5.777 ( -0.971 1.216 -1.367) 2.071 5.855 ( -1.376 -2.796 -0.367) 3.138 5.888 ( 4.149 2.199 -1.500) 4.930 6.112 ( -1.462 -3.726 -1.290) 4.205 6.256 ( 3.093 -1.713 2.352) 4.246 6.279 ( 3.777 -1.895 -0.110) 4.227 6.412 ( -1.683 5.095 2.054) 5.745 6.576 ( -3.571 -2.697 -4.994) 6.705 6.822 ( -4.999 7.089 -4.670) 9.851 6.965 ( -5.979 5.903 -3.946) 9.282 6.982 ( -2.745 5.566 -5.530) 8.313 7.288 ( 2.837 -0.919 2.798) 4.089 7.369 ( -3.195 1.810 -0.235) 3.680 7.467 ( 0.441 -4.635 -3.288) 5.700 7.661 ( -1.441 6.328 -1.373) 6.634 7.927 ( -5.634 0.630 1.380) 5.834 8.146 ( 3.703 -4.741 1.057) 6.108 8.194 ( 2.967 -5.440 10.679) 12.346 8.578 ( -4.759 8.387 -4.397) 10.598 8.717 ( 5.224 9.053 -5.649) 11.881 8.823 ( -3.114 2.069 -5.448) 6.608 9.039 ( 7.839 -2.344 -1.780) 8.373 9.234 ( -4.433 -1.197 4.012) 6.098 9.307 ( 0.630 -4.383 -5.424) 7.002 10.030 ( 3.263 2.903 -1.412) 4.590 10.171 ( -2.992 2.929 4.147) 5.894 10.222 ( 1.776 0.679 1.655) 2.521 10.288 ( 0.282 -3.734 -0.154) 3.748 10.470 ( -3.106 -2.758 0.087) 4.155 10.556 ( -1.967 -2.364 -0.158) 3.079 11.036 ( 1.526 -0.305 6.990) 7.161 11.103 ( -0.156 -3.427 6.962) 7.761 21.468 ( -2.002 -1.510 5.338) 5.897 21.512 ( -1.582 -2.136 2.465) 3.625 21.513 ( 2.261 0.758 -1.289) 2.711 21.588 ( 1.543 -2.476 -1.640) 3.347 22.734 ( 1.605 1.083 -0.378) 1.973 22.763 ( 0.435 -0.557 0.187) 0.731 22.861 ( 0.245 0.684 -0.053) 0.728 22.897 ( -0.397 -0.686 -0.562) 0.972 23.544 ( -0.992 4.007 -0.166) 4.131 23.618 ( 0.658 1.553 -2.629) 3.123 23.852 ( -1.986 -1.464 1.986) 3.168 23.898 ( 0.273 -2.267 -1.052) 2.514 26.809 ( -0.427 -1.057 2.103) 2.392 26.822 ( 0.642 -1.365 1.254) 1.962 27.039 ( 1.275 1.705 -1.365) 2.529 27.092 ( 0.228 -0.657 -1.271) 1.449 29.608 ( 1.610 1.670 4.418) 4.990 29.743 ( 0.832 -3.824 3.980) 5.582 29.940 ( 2.162 5.768 -1.840) 6.429 30.197 ( 2.194 -5.401 -4.077) 7.114 32.058 ( 0.728 5.526 0.232) 5.579 32.113 ( -0.049 6.626 -0.232) 6.630 32.301 ( 0.957 -5.037 0.654) 5.169 32.398 ( 0.151 -5.995 -0.118) 5.998 33.590 ( -0.921 1.705 -0.200) 1.948 33.618 ( -0.347 2.050 -0.525) 2.144 33.705 ( -0.066 -2.663 -0.061) 2.665 33.715 ( -1.085 -1.922 0.918) 2.391 35.330 ( 0.145 1.616 0.719) 1.774 35.378 ( 1.468 -0.399 -0.328) 1.556 35.448 ( -0.310 1.633 -0.779) 1.836 35.522 ( -0.413 -1.334 -1.329) 1.928 89.106 ( -3.925 0.605 2.803) 4.861 89.222 ( -3.606 -4.562 1.972) 6.140 89.265 ( -0.850 0.533 -4.186) 4.304 89.337 ( -5.416 -3.711 -0.357) 6.575 92.352 ( -1.213 1.891 0.142) 2.251 92.363 ( -0.044 2.045 -1.065) 2.306 92.602 ( 2.222 -0.662 1.254) 2.636 92.710 ( -1.007 -6.411 3.508) 7.377 97.842 ( 0.550 1.147 1.425) 1.910 97.905 ( 3.077 -1.830 3.509) 5.012 98.011 ( 0.036 4.182 -0.876) 4.273 98.226 ( -0.705 -4.981 0.130) 5.032 103.694 ( 0.127 1.019 0.337) 1.081 103.735 ( 0.012 -0.894 -0.067) 0.896 103.859 ( 0.477 1.754 -0.740) 1.962 103.885 ( 1.396 1.090 -2.497) 3.061 ======================= Grid point 153 (84/112) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 1.193 -7.483 7.380) 10.577 1.235 ( 1.193 7.483 7.380) 10.577 1.423 ( -0.763 -15.204 3.729) 15.674 1.423 ( -0.763 15.204 3.729) 15.674 1.745 ( 3.997 -7.322 -6.509) 10.581 1.745 ( 3.997 7.322 -6.509) 10.581 1.931 ( -2.780 -2.054 -4.143) 5.396 1.931 ( -2.780 2.054 -4.143) 5.396 2.335 ( 1.210 -7.729 5.555) 9.595 2.335 ( 1.210 7.729 5.555) 9.595 2.481 ( -2.674 -8.006 4.698) 9.660 2.481 ( -2.674 8.006 4.698) 9.660 2.616 ( 0.628 -3.834 -1.890) 4.320 2.616 ( 0.628 3.834 -1.890) 4.320 2.846 ( -1.792 -1.861 2.844) 3.842 2.846 ( -1.792 1.861 2.844) 3.842 2.994 ( -1.594 -4.117 3.717) 5.771 2.994 ( -1.594 4.117 3.717) 5.771 3.088 ( 0.209 -2.740 3.058) 4.111 3.088 ( 0.209 2.740 3.058) 4.111 3.235 ( 1.264 -6.454 -1.954) 6.860 3.235 ( 1.264 6.454 -1.954) 6.860 3.449 ( 1.694 -3.875 -8.813) 9.775 3.449 ( 1.694 3.875 -8.813) 9.775 4.461 ( 0.453 -1.911 3.020) 3.603 4.461 ( 0.453 1.911 3.020) 3.603 4.585 ( 3.237 -3.388 4.901) 6.780 4.585 ( 3.237 3.388 4.901) 6.780 4.777 ( -1.794 -0.743 -0.294) 1.964 4.777 ( -1.794 0.743 -0.294) 1.964 4.884 ( -4.814 -1.341 0.014) 4.997 4.884 ( -4.814 1.341 0.014) 4.997 5.189 ( -3.327 -1.474 8.295) 9.059 5.189 ( -3.327 1.474 8.295) 9.059 5.287 ( 0.919 -0.778 0.713) 1.400 5.287 ( 0.919 0.778 0.713) 1.400 5.432 ( 1.358 -1.534 -5.455) 5.827 5.432 ( 1.358 1.534 -5.455) 5.827 5.611 ( -0.557 -1.845 -4.589) 4.977 5.611 ( -0.557 1.845 -4.589) 4.977 5.838 ( 9.752 -2.289 -1.979) 10.210 5.838 ( 9.752 2.289 -1.979) 10.210 5.970 ( -2.412 -3.974 -4.120) 6.211 5.970 ( -2.412 3.974 -4.120) 6.211 6.309 ( 3.230 -2.325 1.860) 4.393 6.309 ( 3.230 2.325 1.860) 4.393 6.477 ( -0.502 -1.647 0.144) 1.728 6.477 ( -0.502 1.647 0.144) 1.728 6.757 ( -6.161 -1.427 -6.078) 8.771 6.757 ( -6.161 1.427 -6.078) 8.771 7.120 ( -4.230 -8.580 -1.657) 9.709 7.120 ( -4.230 8.580 -1.657) 9.709 7.426 ( 1.998 -1.630 0.757) 2.688 7.426 ( 1.998 1.630 0.757) 2.688 7.739 ( -4.039 -2.763 -1.142) 5.025 7.739 ( -4.039 2.763 -1.142) 5.025 8.312 ( 7.500 -2.933 7.816) 11.222 8.312 ( 7.500 2.933 7.816) 11.222 8.617 ( -2.311 -5.327 -8.284) 10.116 8.617 ( -2.311 5.327 -8.284) 10.116 8.945 ( -1.337 -5.124 -0.469) 5.316 8.945 ( -1.337 5.124 -0.469) 5.316 9.242 ( 2.753 -1.251 -1.515) 3.382 9.242 ( 2.753 1.251 -1.515) 3.382 10.068 ( -3.163 -3.215 -0.264) 4.518 10.068 ( -3.163 3.215 -0.264) 4.518 10.258 ( 1.348 -1.848 1.068) 2.525 10.258 ( 1.348 1.848 1.068) 2.525 10.533 ( 2.028 -1.470 1.178) 2.768 10.533 ( 2.028 1.470 1.178) 2.768 11.121 ( -1.094 -0.795 5.521) 5.685 11.121 ( -1.094 0.795 5.521) 5.685 21.472 ( -2.428 -1.202 3.029) 4.064 21.472 ( -2.428 1.202 3.029) 4.064 21.556 ( 1.923 -1.442 -1.327) 2.745 21.556 ( 1.923 1.442 -1.327) 2.745 22.760 ( -0.039 -0.264 0.092) 0.282 22.760 ( -0.039 0.264 0.092) 0.282 22.876 ( 0.003 -0.432 -0.327) 0.542 22.876 ( 0.003 0.432 -0.327) 0.542 23.598 ( 0.144 -2.011 -0.767) 2.158 23.598 ( 0.144 2.011 -0.767) 2.158 23.850 ( 0.018 -1.828 0.003) 1.828 23.850 ( 0.018 1.828 0.003) 1.828 26.821 ( -0.507 -0.746 1.774) 1.990 26.821 ( -0.507 0.746 1.774) 1.990 27.061 ( 0.189 -0.666 -1.496) 1.649 27.061 ( 0.189 0.666 -1.496) 1.649 29.743 ( 1.711 -3.032 5.614) 6.606 29.743 ( 1.711 3.032 5.614) 6.606 30.030 ( -1.337 -5.255 -4.815) 7.252 30.030 ( -1.337 5.255 -4.815) 7.252 32.205 ( 0.985 -5.567 0.937) 5.731 32.205 ( 0.985 5.567 0.937) 5.731 32.250 ( -0.736 -6.188 -0.626) 6.262 32.250 ( -0.736 6.188 -0.626) 6.262 33.614 ( -0.839 -1.081 -0.317) 1.404 33.614 ( -0.839 1.081 -0.317) 1.404 33.686 ( 0.677 -0.913 0.354) 1.191 33.686 ( 0.677 0.913 0.354) 1.191 35.375 ( 0.390 -1.236 0.132) 1.303 35.375 ( 0.390 1.236 0.132) 1.303 35.465 ( -0.643 -1.105 -0.738) 1.476 35.465 ( -0.643 1.105 -0.738) 1.476 89.109 ( -4.276 -2.208 3.878) 6.180 89.109 ( -4.276 2.208 3.878) 6.180 89.265 ( 2.968 -2.200 -3.269) 4.933 89.265 ( 2.968 2.200 -3.269) 4.933 92.369 ( -0.684 -0.790 0.039) 1.046 92.369 ( -0.684 0.790 0.039) 1.046 92.639 ( -0.053 -0.827 1.279) 1.524 92.639 ( -0.053 0.827 1.279) 1.524 97.941 ( 2.728 -3.283 3.651) 5.617 97.941 ( 2.728 3.283 3.651) 5.617 98.076 ( -1.915 -4.689 -2.219) 5.530 98.076 ( -1.915 4.689 -2.219) 5.530 103.718 ( -0.121 -0.631 0.212) 0.677 103.718 ( -0.121 0.631 0.212) 0.677 103.879 ( 0.152 -0.602 -1.335) 1.473 103.879 ( 0.152 0.602 -1.335) 1.473 ======================= Grid point 155 (85/112) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.554 -4.877 3.128) 5.820 1.325 ( 0.554 4.877 3.128) 5.820 1.432 ( -1.235 -13.900 2.840) 14.241 1.432 ( -1.235 13.900 2.840) 14.241 1.757 ( 6.705 -9.375 -9.402) 14.874 1.757 ( 6.705 9.375 -9.402) 14.874 1.838 ( -4.425 -3.264 1.522) 5.705 1.838 ( -4.425 3.264 1.522) 5.705 2.357 ( -3.922 -4.429 1.475) 6.097 2.357 ( -3.922 4.429 1.475) 6.097 2.513 ( -0.193 -6.774 2.609) 7.261 2.513 ( -0.193 6.774 2.609) 7.261 2.617 ( 1.488 -3.614 0.887) 4.008 2.617 ( 1.488 3.614 0.887) 4.008 2.830 ( -1.897 -1.597 2.207) 3.319 2.830 ( -1.897 1.597 2.207) 3.319 2.966 ( -7.041 -4.633 2.811) 8.885 2.966 ( -7.041 4.633 2.811) 8.885 3.098 ( -2.482 -3.190 4.704) 6.202 3.098 ( -2.482 3.190 4.704) 6.202 3.263 ( 2.051 -7.305 -0.228) 7.591 3.263 ( 2.051 7.306 -0.228) 7.591 3.411 ( 6.207 -4.111 -9.594) 12.144 3.411 ( 6.207 4.111 -9.594) 12.144 4.479 ( -1.308 -1.813 1.379) 2.626 4.479 ( -1.308 1.813 1.379) 2.626 4.662 ( -0.383 -1.313 -1.438) 1.985 4.662 ( -0.383 1.313 -1.438) 1.985 4.744 ( -0.286 -4.171 3.055) 5.178 4.744 ( -0.286 4.171 3.055) 5.178 4.819 ( -5.026 -2.722 3.057) 6.482 4.819 ( -5.026 2.722 3.057) 6.482 5.165 ( -5.699 -4.272 2.964) 7.715 5.165 ( -5.699 4.272 2.964) 7.715 5.291 ( -4.530 -0.332 1.799) 4.885 5.291 ( -4.530 0.332 1.799) 4.885 5.436 ( 3.863 -3.102 -0.084) 4.955 5.436 ( 3.863 3.102 -0.084) 4.955 5.556 ( 1.194 -1.302 -5.000) 5.303 5.556 ( 1.194 1.302 -5.000) 5.303 5.825 ( -3.270 -4.804 -5.956) 8.321 5.825 ( -3.270 4.804 -5.956) 8.321 6.037 ( 10.963 -4.726 -2.457) 12.188 6.037 ( 10.963 4.726 -2.457) 12.188 6.357 ( -0.248 -1.294 -3.295) 3.548 6.357 ( -0.248 1.294 -3.295) 3.548 6.430 ( -2.190 -1.255 1.375) 2.874 6.430 ( -2.190 1.255 1.375) 2.874 6.700 ( 0.876 -1.853 3.438) 4.003 6.700 ( 0.876 1.853 3.438) 4.003 7.088 ( 0.141 -1.672 2.959) 3.402 7.088 ( 0.141 1.672 2.959) 3.402 7.386 ( -5.310 -2.985 -1.209) 6.210 7.386 ( -5.310 2.985 -1.209) 6.210 7.774 ( 6.478 -7.071 2.137) 9.825 7.774 ( 6.478 7.071 2.137) 9.825 8.443 ( -2.709 -2.794 -3.674) 5.352 8.443 ( -2.709 2.794 -3.674) 5.352 8.483 ( 0.202 -4.359 -1.190) 4.523 8.483 ( 0.202 4.359 -1.190) 4.523 8.922 ( -1.299 -1.278 0.953) 2.056 8.922 ( -1.299 1.278 0.953) 2.056 9.285 ( 5.034 -1.738 -2.537) 5.899 9.285 ( 5.034 1.738 -2.537) 5.899 10.033 ( -1.821 -5.853 1.426) 6.293 10.033 ( -1.821 5.853 1.426) 6.293 10.289 ( 1.121 -0.598 0.366) 1.322 10.289 ( 1.121 0.598 0.366) 1.322 10.577 ( 3.171 -1.070 -1.068) 3.513 10.577 ( 3.171 1.070 -1.068) 3.513 11.135 ( -3.161 -1.797 3.589) 5.109 11.135 ( -3.161 1.797 3.589) 5.109 21.461 ( -2.640 -1.540 2.500) 3.949 21.461 ( -2.640 1.540 2.500) 3.949 21.571 ( 1.675 -1.016 -1.342) 2.374 21.571 ( 1.675 1.016 -1.342) 2.374 22.753 ( -0.879 -0.818 0.076) 1.203 22.753 ( -0.879 0.818 0.076) 1.203 22.872 ( -0.140 -0.321 -0.161) 0.385 22.872 ( -0.140 0.321 -0.161) 0.385 23.601 ( 1.018 -1.818 -0.458) 2.134 23.601 ( 1.018 1.818 -0.458) 2.134 23.854 ( 0.503 -2.751 0.007) 2.796 23.854 ( 0.503 2.751 0.007) 2.796 26.818 ( -1.912 -1.095 1.136) 2.479 26.818 ( -1.912 1.095 1.136) 2.479 27.054 ( 0.554 -0.463 -0.756) 1.045 27.054 ( 0.554 0.463 -0.756) 1.045 29.807 ( -0.233 -1.232 1.948) 2.317 29.807 ( -0.233 1.232 1.948) 2.317 29.951 ( -2.536 -1.797 -1.909) 3.648 29.951 ( -2.536 1.797 -1.909) 3.648 32.207 ( -1.301 -5.309 -0.597) 5.499 32.207 ( -1.301 5.309 -0.597) 5.499 32.246 ( 0.596 -5.543 0.536) 5.601 32.246 ( 0.596 5.543 0.536) 5.601 33.604 ( -0.383 -1.594 0.364) 1.679 33.604 ( -0.383 1.594 0.364) 1.679 33.703 ( 1.220 -2.187 -0.210) 2.513 33.703 ( 1.220 2.187 -0.210) 2.513 35.371 ( -0.869 -0.833 -0.117) 1.209 35.371 ( -0.869 0.833 -0.117) 1.209 35.458 ( 0.259 -0.466 0.059) 0.537 35.458 ( 0.259 0.466 0.059) 0.537 89.096 ( -2.258 -1.827 3.649) 4.664 89.096 ( -2.258 1.827 3.649) 4.664 89.306 ( 5.653 -3.509 -2.465) 7.095 89.306 ( 5.653 3.509 -2.465) 7.095 92.361 ( -0.713 -1.563 0.549) 1.803 92.361 ( -0.713 1.563 0.549) 1.803 92.648 ( -0.090 -2.031 0.700) 2.150 92.648 ( -0.090 2.031 0.700) 2.150 97.975 ( -2.362 -2.278 -1.467) 3.595 97.975 ( -2.362 2.278 -1.467) 3.595 98.055 ( 2.027 -5.053 1.433) 5.630 98.055 ( 2.027 5.053 1.433) 5.630 103.716 ( -0.379 -0.094 0.189) 0.434 103.716 ( -0.379 0.094 0.189) 0.434 103.866 ( -0.239 -0.516 -0.694) 0.897 103.866 ( -0.239 0.516 -0.694) 0.897 ======================= Grid point 157 (86/112) ======================= q-point: ( 0.22 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -6.704 -10.163 -3.620) 12.702 1.249 ( -6.704 10.163 -3.620) 12.702 1.499 ( 1.647 -4.506 4.666) 6.692 1.499 ( 1.647 4.506 4.666) 6.692 1.738 ( 5.822 -6.799 -7.109) 11.431 1.738 ( 5.822 6.799 -7.109) 11.431 1.870 ( 2.356 -6.636 2.368) 7.429 1.870 ( 2.356 6.636 2.368) 7.429 2.288 ( -6.289 -1.875 1.526) 6.737 2.288 ( -6.289 1.875 1.526) 6.737 2.481 ( -2.538 -5.774 -2.375) 6.740 2.481 ( -2.538 5.774 -2.375) 6.740 2.623 ( -1.482 -3.476 -1.383) 4.024 2.623 ( -1.482 3.476 -1.383) 4.024 2.775 ( -8.198 -0.456 0.004) 8.211 2.775 ( -8.198 0.456 0.004) 8.211 2.993 ( 3.529 -2.338 8.095) 9.136 2.993 ( 3.529 2.338 8.095) 9.136 3.080 ( -1.982 -2.650 0.602) 3.364 3.080 ( -1.982 2.650 0.602) 3.364 3.280 ( 0.411 -7.295 -0.750) 7.345 3.280 ( 0.411 7.295 -0.750) 7.345 3.442 ( 6.380 -2.718 -3.794) 7.904 3.442 ( 6.380 2.718 -3.794) 7.904 4.452 ( -2.259 -4.561 -0.595) 5.124 4.452 ( -2.259 4.561 -0.595) 5.124 4.587 ( -1.943 -2.713 -4.683) 5.751 4.587 ( -1.943 2.713 -4.683) 5.751 4.734 ( -5.800 -3.723 3.373) 7.673 4.734 ( -5.800 3.723 3.373) 7.673 4.844 ( -0.175 -5.658 6.191) 8.389 4.844 ( -0.175 5.658 6.191) 8.389 5.104 ( -3.616 -6.181 -0.352) 7.169 5.104 ( -3.616 6.181 -0.352) 7.169 5.229 ( -5.171 -1.146 3.824) 6.533 5.229 ( -5.171 1.146 3.824) 6.533 5.493 ( 2.021 -2.494 -0.538) 3.255 5.493 ( 2.021 2.494 -0.538) 3.255 5.523 ( 1.235 -1.519 -5.128) 5.489 5.523 ( 1.235 1.519 -5.128) 5.489 5.745 ( -1.987 -2.300 -0.722) 3.124 5.745 ( -1.987 2.300 -0.722) 3.124 6.063 ( -1.494 -7.294 -6.084) 9.615 6.063 ( -1.494 7.294 -6.084) 9.615 6.307 ( 3.122 -4.864 -4.405) 7.267 6.307 ( 3.122 4.864 -4.405) 7.267 6.505 ( 4.003 -1.103 4.373) 6.031 6.505 ( 4.003 1.103 4.373) 6.031 6.785 ( 2.717 -1.778 6.071) 6.885 6.785 ( 2.717 1.778 6.071) 6.885 7.161 ( 0.718 -6.649 5.035) 8.371 7.161 ( 0.718 6.649 5.035) 8.371 7.316 ( -1.693 -0.293 2.526) 3.055 7.316 ( -1.693 0.293 2.526) 3.055 7.905 ( 4.562 -9.796 1.859) 10.965 7.905 ( 4.562 9.796 1.859) 10.965 8.264 ( -2.901 -7.903 -10.190) 13.218 8.264 ( -2.901 7.903 -10.190) 13.218 8.527 ( -1.326 -2.529 4.677) 5.480 8.527 ( -1.326 2.529 4.677) 5.480 8.915 ( -1.163 -4.125 0.628) 4.331 8.915 ( -1.163 4.125 0.628) 4.331 9.341 ( 5.971 -3.328 -3.799) 7.820 9.341 ( 5.971 3.328 -3.799) 7.820 10.043 ( 0.055 -6.394 2.879) 7.013 10.043 ( 0.055 6.394 2.879) 7.013 10.294 ( -0.369 -3.011 -0.620) 3.097 10.294 ( -0.369 3.011 -0.620) 3.097 10.604 ( 2.669 -3.187 -2.953) 5.099 10.604 ( 2.669 3.187 -2.953) 5.099 11.102 ( -3.691 -4.206 0.747) 5.645 11.102 ( -3.691 4.206 0.747) 5.645 21.444 ( -2.498 -2.025 2.222) 3.908 21.444 ( -2.498 2.025 2.222) 3.908 21.579 ( 1.286 -0.727 -1.751) 2.291 21.579 ( 1.286 0.727 -1.751) 2.291 22.736 ( -1.121 -1.446 -0.011) 1.829 22.736 ( -1.121 1.446 -0.011) 1.829 22.868 ( -0.316 -0.533 0.085) 0.626 22.868 ( -0.316 0.533 0.085) 0.626 23.619 ( 1.508 -1.793 -0.070) 2.344 23.619 ( 1.508 1.793 -0.070) 2.344 23.865 ( 0.758 -3.737 -0.045) 3.813 23.865 ( 0.758 3.737 -0.045) 3.813 26.790 ( -2.400 -1.110 0.565) 2.704 26.790 ( -2.400 1.110 0.565) 2.704 27.058 ( 0.363 -1.070 -0.238) 1.155 27.058 ( 0.363 1.070 -0.238) 1.155 29.762 ( -2.032 -3.294 -3.993) 5.561 29.762 ( -2.032 3.294 -3.993) 5.561 29.932 ( -2.411 -4.152 3.410) 5.889 29.932 ( -2.411 4.152 3.410) 5.889 32.176 ( -1.364 -5.820 -0.587) 6.006 32.176 ( -1.364 5.820 -0.587) 6.006 32.258 ( 0.133 -6.547 0.222) 6.552 32.258 ( 0.133 6.547 0.222) 6.552 33.609 ( -0.050 -2.369 0.949) 2.553 33.609 ( -0.050 2.369 0.949) 2.553 33.719 ( 1.420 -3.162 -0.754) 3.547 33.719 ( 1.420 3.162 -0.754) 3.547 35.352 ( -1.040 -0.609 -0.222) 1.225 35.352 ( -1.040 0.609 -0.222) 1.225 35.469 ( 0.325 -1.121 0.640) 1.331 35.469 ( 0.325 1.121 0.640) 1.331 89.113 ( -0.535 -1.456 3.510) 3.838 89.113 ( -0.535 1.456 3.510) 3.838 89.381 ( 6.119 -4.692 -1.699) 7.896 89.381 ( 6.119 4.692 -1.699) 7.896 92.359 ( -0.597 -2.229 1.052) 2.536 92.359 ( -0.597 2.229 1.052) 2.536 92.647 ( -0.331 -3.694 -0.395) 3.730 92.647 ( -0.331 3.694 -0.395) 3.730 97.906 ( -2.307 -1.412 -2.414) 3.625 97.906 ( -2.307 1.412 -2.414) 3.625 98.105 ( 1.400 -6.621 1.188) 6.870 98.105 ( 1.400 6.621 1.188) 6.870 103.711 ( -0.468 -0.524 0.171) 0.723 103.711 ( -0.468 0.524 0.171) 0.723 103.857 ( -0.391 -0.573 -0.086) 0.699 103.857 ( -0.391 0.573 -0.086) 0.699 ======================= Grid point 159 (87/112) ======================= q-point: ( 0.33 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -5.479 -8.339 -0.796) 10.010 1.115 ( -5.479 8.339 -0.796) 10.010 1.550 ( 1.857 -4.396 0.697) 4.823 1.550 ( 1.857 4.396 0.697) 4.823 1.803 ( 8.173 -4.996 -5.606) 11.099 1.803 ( 8.173 4.996 -5.606) 11.099 1.915 ( 0.499 -3.065 1.757) 3.568 1.915 ( 0.499 3.065 1.757) 3.568 2.200 ( -6.645 -2.017 3.079) 7.597 2.200 ( -6.645 2.017 3.079) 7.597 2.412 ( -3.068 -6.040 -1.417) 6.921 2.412 ( -3.068 6.040 -1.417) 6.921 2.570 ( -2.705 -2.709 -1.949) 4.296 2.570 ( -2.705 2.709 -1.949) 4.296 2.647 ( -4.592 -2.236 -2.634) 5.747 2.647 ( -4.592 2.236 -2.634) 5.747 2.998 ( -1.394 -2.559 -3.982) 4.934 2.998 ( -1.394 2.559 -3.982) 4.934 3.149 ( -1.005 -1.827 2.941) 3.605 3.149 ( -1.005 1.827 2.941) 3.605 3.311 ( 4.616 -2.603 4.649) 7.050 3.311 ( 4.616 2.603 4.649) 7.050 3.512 ( 4.319 -1.794 -0.144) 4.679 3.512 ( 4.319 1.794 -0.144) 4.679 4.411 ( -1.246 -5.780 -0.992) 5.995 4.411 ( -1.246 5.780 -0.992) 5.995 4.529 ( 0.127 -1.780 -2.860) 3.371 4.529 ( 0.127 1.780 -2.860) 3.371 4.686 ( -6.805 -2.832 6.784) 10.017 4.686 ( -6.805 2.832 6.784) 10.017 4.876 ( -2.357 -5.052 2.989) 6.326 4.876 ( -2.357 5.052 2.989) 6.326 5.037 ( -1.834 -3.856 -3.183) 5.326 5.037 ( -1.834 3.856 -3.183) 5.326 5.215 ( -3.157 -1.639 3.664) 5.106 5.215 ( -3.157 1.639 3.664) 5.106 5.459 ( -2.788 -1.484 0.953) 3.299 5.459 ( -2.788 1.484 0.953) 3.299 5.549 ( 6.577 -3.379 -4.019) 8.416 5.549 ( 6.577 3.379 -4.019) 8.416 5.717 ( -1.659 -1.195 0.327) 2.070 5.717 ( -1.659 1.195 0.327) 2.070 5.987 ( -1.994 -4.226 -0.737) 4.730 5.987 ( -1.994 4.226 -0.737) 4.730 6.284 ( 1.705 -4.607 -8.564) 9.873 6.284 ( 1.705 4.607 -8.564) 9.873 6.603 ( 1.704 -3.469 4.227) 5.728 6.603 ( 1.704 3.469 4.227) 5.728 6.909 ( 3.038 -5.175 6.684) 8.982 6.909 ( 3.038 5.175 6.684) 8.982 7.172 ( -0.371 -5.143 0.391) 5.172 7.172 ( -0.371 5.143 0.391) 5.172 7.388 ( -0.357 -0.828 7.593) 7.646 7.388 ( -0.357 0.828 7.593) 7.646 7.912 ( -1.372 -7.228 -1.328) 7.476 7.912 ( -1.372 7.228 -1.328) 7.476 8.205 ( 4.434 -1.728 -5.614) 7.360 8.205 ( 4.434 1.728 -5.614) 7.360 8.556 ( -1.838 -4.472 6.392) 8.015 8.556 ( -1.838 4.472 6.392) 8.015 8.899 ( -0.689 -5.989 -0.015) 6.028 8.899 ( -0.689 5.989 -0.015) 6.028 9.388 ( 5.371 -5.074 -4.567) 8.686 9.388 ( 5.371 5.074 -4.567) 8.686 10.082 ( -0.088 -4.074 3.501) 5.373 10.082 ( -0.088 4.074 3.501) 5.373 10.273 ( -0.105 -6.866 -1.818) 7.103 10.273 ( -0.105 6.866 -1.818) 7.103 10.598 ( 0.776 -5.303 -2.829) 6.060 10.598 ( 0.776 5.303 -2.829) 6.060 11.033 ( -3.456 -6.351 -3.155) 7.889 11.033 ( -3.456 6.351 -3.155) 7.889 21.431 ( -2.126 -2.402 2.215) 3.898 21.431 ( -2.126 2.402 2.215) 3.898 21.575 ( 0.961 -0.831 -2.340) 2.663 21.575 ( 0.961 0.831 -2.340) 2.663 22.720 ( -0.801 -1.605 -0.068) 1.795 22.720 ( -0.801 1.605 -0.068) 1.795 22.864 ( -0.376 -0.527 0.236) 0.689 22.864 ( -0.376 0.527 0.236) 0.689 23.646 ( 1.463 -2.004 0.376) 2.509 23.646 ( 1.463 2.004 0.376) 2.509 23.874 ( 0.564 -4.263 -0.267) 4.308 23.874 ( 0.564 4.263 -0.267) 4.308 26.762 ( -1.733 -1.015 0.733) 2.138 26.762 ( -1.733 1.015 0.733) 2.138 27.054 ( -0.292 -1.243 -0.674) 1.444 27.054 ( -0.292 1.243 -0.674) 1.444 29.707 ( 0.211 -3.556 -2.546) 4.379 29.707 ( 0.211 3.556 -2.546) 4.379 29.911 ( -3.969 -5.091 1.823) 6.707 29.911 ( -3.969 5.091 1.823) 6.707 32.157 ( -0.572 -5.606 0.141) 5.637 32.157 ( -0.572 5.606 0.141) 5.637 32.254 ( -0.400 -6.487 -0.467) 6.516 32.254 ( -0.400 6.487 -0.467) 6.516 33.621 ( -0.020 -2.880 1.354) 3.182 33.621 ( -0.020 2.880 1.354) 3.182 33.729 ( 1.156 -3.624 -1.257) 4.006 33.729 ( 1.156 3.624 -1.257) 4.006 35.336 ( -0.645 -0.445 -0.144) 0.797 35.336 ( -0.645 0.445 -0.144) 0.797 35.478 ( -0.017 -1.055 0.673) 1.252 35.478 ( -0.017 1.055 0.673) 1.252 89.148 ( -0.012 -1.069 3.590) 3.746 89.148 ( -0.012 1.069 3.590) 3.746 89.453 ( 4.558 -5.195 -1.402) 7.052 89.453 ( 4.558 5.195 -1.402) 7.052 92.364 ( -0.495 -2.436 1.528) 2.918 92.364 ( -0.495 2.436 1.528) 2.918 92.625 ( -0.819 -3.708 -2.074) 4.327 92.625 ( -0.819 3.708 -2.074) 4.327 97.868 ( -0.181 -0.687 -0.629) 0.949 97.868 ( -0.181 0.687 -0.629) 0.949 98.117 ( -0.196 -6.484 -0.670) 6.521 98.117 ( -0.196 6.484 -0.670) 6.521 103.706 ( -0.362 -0.706 0.188) 0.816 103.706 ( -0.362 0.706 0.188) 0.816 103.852 ( -0.364 -0.553 0.142) 0.677 103.852 ( -0.364 0.553 0.142) 0.677 ======================= Grid point 161 (88/112) ======================= q-point: ( 0.44 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.678 -6.070 3.439) 7.010 1.082 ( -0.678 6.070 3.439) 7.010 1.573 ( 3.560 -7.030 -6.568) 10.258 1.573 ( 3.560 7.030 -6.568) 10.258 1.803 ( -1.508 -3.748 -0.470) 4.067 1.803 ( -1.508 3.748 -0.470) 4.067 1.968 ( 3.955 -2.512 0.999) 4.791 1.968 ( 3.955 2.512 0.999) 4.791 2.170 ( -2.206 -1.131 3.491) 4.281 2.170 ( -2.206 1.131 3.491) 4.281 2.355 ( -2.553 -5.651 -0.729) 6.244 2.355 ( -2.553 5.651 -0.729) 6.244 2.501 ( -2.779 -3.096 -1.342) 4.371 2.501 ( -2.779 3.096 -1.342) 4.371 2.581 ( -1.197 -3.974 -2.289) 4.740 2.581 ( -1.197 3.974 -2.289) 4.740 2.925 ( -0.457 -3.506 -6.758) 7.627 2.925 ( -0.457 3.506 -6.758) 7.627 3.101 ( -4.743 -1.336 1.548) 5.165 3.101 ( -4.743 1.336 1.548) 5.165 3.459 ( 2.096 -1.241 7.238) 7.637 3.459 ( 2.096 1.241 7.238) 7.637 3.577 ( 5.330 -2.475 -1.265) 6.012 3.577 ( 5.330 2.475 -1.265) 6.012 4.403 ( 0.224 -5.724 1.023) 5.819 4.403 ( 0.224 5.724 1.023) 5.819 4.523 ( 1.605 -1.200 -1.955) 2.800 4.523 ( 1.605 1.200 -1.955) 2.800 4.663 ( -6.215 -1.313 8.832) 10.879 4.663 ( -6.215 1.313 8.832) 10.879 4.852 ( -2.565 -4.923 1.818) 5.841 4.852 ( -2.565 4.923 1.818) 5.841 4.978 ( -1.525 -1.560 -3.862) 4.436 4.978 ( -1.525 1.560 -3.862) 4.436 5.181 ( -0.725 -2.462 -2.554) 3.621 5.181 ( -0.725 2.462 -2.554) 3.621 5.472 ( 0.596 -0.871 4.250) 4.379 5.472 ( 0.596 0.871 4.250) 4.379 5.633 ( 6.565 -3.673 -1.471) 7.665 5.633 ( 6.565 3.673 -1.471) 7.665 5.711 ( 0.268 -2.211 1.879) 2.914 5.711 ( 0.268 2.211 1.879) 2.914 5.972 ( -1.047 -1.389 1.749) 2.467 5.972 ( -1.047 1.389 1.749) 2.467 6.177 ( -0.701 -3.433 -12.259) 12.750 6.177 ( -0.701 3.433 -12.259) 12.750 6.652 ( -0.898 -2.373 4.168) 4.880 6.652 ( -0.898 2.373 4.168) 4.880 6.976 ( -0.827 -4.560 1.983) 5.041 6.976 ( -0.827 4.560 1.983) 5.041 7.214 ( 2.172 -1.397 4.629) 5.301 7.214 ( 2.172 1.397 4.629) 5.301 7.401 ( -4.768 -0.508 3.856) 6.153 7.401 ( -4.768 0.508 3.856) 6.153 7.917 ( 1.890 -5.327 -0.073) 5.652 7.917 ( 1.890 5.327 -0.073) 5.652 8.214 ( 2.268 -2.502 -2.948) 4.483 8.214 ( 2.268 2.502 -2.948) 4.483 8.603 ( -0.409 -2.624 4.728) 5.423 8.603 ( -0.409 2.624 4.728) 5.423 8.911 ( 1.165 -3.917 2.088) 4.589 8.911 ( 1.165 3.917 2.088) 4.589 9.407 ( 3.417 -5.793 -5.380) 8.613 9.407 ( 3.417 5.793 -5.380) 8.613 10.095 ( -2.342 -4.123 2.421) 5.324 10.095 ( -2.342 4.123 2.421) 5.324 10.268 ( 1.887 -8.680 -1.788) 9.061 10.268 ( 1.887 8.680 -1.788) 9.061 10.588 ( 0.641 -5.179 -0.012) 5.219 10.588 ( 0.641 5.179 -0.012) 5.219 10.922 ( -3.828 -7.011 -6.548) 10.329 10.922 ( -3.828 7.011 -6.548) 10.329 21.425 ( -1.680 -2.589 2.418) 3.921 21.425 ( -1.680 2.589 2.418) 3.921 21.561 ( 0.839 -1.308 -2.734) 3.145 21.561 ( 0.839 1.308 -2.734) 3.145 22.711 ( -0.242 -1.236 -0.040) 1.260 22.711 ( -0.242 1.236 -0.040) 1.260 22.862 ( -0.197 -0.213 0.229) 0.370 22.862 ( -0.197 0.213 0.229) 0.370 23.670 ( 0.827 -2.199 0.602) 2.425 23.670 ( 0.827 2.199 0.602) 2.425 23.876 ( 0.099 -4.099 -0.445) 4.124 23.876 ( 0.099 4.099 -0.445) 4.124 26.753 ( -0.660 -0.960 1.059) 1.574 26.753 ( -0.660 0.960 1.059) 1.574 27.037 ( -0.356 -0.877 -1.184) 1.515 27.037 ( -0.356 0.877 -1.184) 1.515 29.722 ( 3.249 -3.786 -0.058) 4.990 29.722 ( 3.249 3.786 -0.058) 4.990 29.847 ( -4.580 -4.780 -0.543) 6.642 29.847 ( -4.580 4.780 -0.543) 6.642 32.162 ( 0.342 -5.681 0.936) 5.768 32.162 ( 0.342 5.681 0.936) 5.768 32.237 ( -0.574 -6.353 -1.114) 6.476 32.237 ( -0.574 6.353 -1.114) 6.476 33.635 ( -0.231 -3.067 1.660) 3.495 33.635 ( -0.231 3.067 1.660) 3.495 33.728 ( 0.577 -3.675 -1.648) 4.069 33.728 ( 0.577 3.675 -1.648) 4.069 35.328 ( -0.231 -0.275 -0.063) 0.364 35.328 ( -0.231 0.275 -0.063) 0.364 35.483 ( -0.131 -0.681 0.507) 0.859 35.483 ( -0.131 0.681 0.507) 0.859 89.184 ( -0.571 -1.222 3.638) 3.880 89.184 ( -0.571 1.222 3.638) 3.880 89.490 ( 1.899 -4.413 -1.476) 5.026 89.490 ( 1.899 4.413 -1.476) 5.026 92.376 ( -0.482 -2.229 2.102) 3.101 92.376 ( -0.482 2.229 2.102) 3.101 92.581 ( -0.760 -2.596 -3.318) 4.281 92.581 ( -0.760 2.596 -3.318) 4.281 97.886 ( 1.713 -1.140 1.440) 2.511 97.886 ( 1.713 1.140 1.440) 2.511 98.087 ( -1.409 -5.644 -2.338) 6.269 98.087 ( -1.409 5.644 -2.338) 6.269 103.703 ( -0.176 -0.486 0.197) 0.553 103.703 ( -0.176 0.486 0.197) 0.553 103.849 ( -0.049 -0.435 0.111) 0.451 103.849 ( -0.049 0.435 0.111) 0.451 ======================= Grid point 163 (89/112) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.026 -6.786 4.472) 8.127 1.131 ( 0.026 6.786 4.472) 8.127 1.503 ( 1.644 -1.934 -11.248) 11.531 1.503 ( 1.644 1.934 -11.248) 11.531 1.823 ( -0.005 -3.386 3.186) 4.650 1.823 ( -0.005 3.386 3.186) 4.650 2.029 ( 3.994 -1.765 -1.001) 4.480 2.029 ( 3.994 1.765 -1.001) 4.480 2.183 ( -1.880 -0.879 5.585) 5.958 2.183 ( -1.880 0.879 5.585) 5.958 2.319 ( -0.460 -5.881 -1.107) 6.002 2.319 ( -0.460 5.881 -1.107) 6.002 2.467 ( -1.307 -3.640 0.061) 3.868 2.467 ( -1.307 3.640 0.061) 3.868 2.547 ( 0.240 -3.799 -1.709) 4.173 2.547 ( 0.240 3.799 -1.709) 4.173 2.846 ( -1.238 -3.648 -4.550) 5.962 2.846 ( -1.238 3.648 -4.550) 5.962 3.071 ( -1.900 -2.022 2.955) 4.054 3.071 ( -1.900 2.022 2.955) 4.054 3.497 ( -3.424 -2.797 3.235) 5.478 3.497 ( -3.424 2.797 3.235) 5.478 3.652 ( 5.065 -3.714 -2.125) 6.630 3.652 ( 5.065 3.714 -2.125) 6.630 4.426 ( -0.615 -4.408 2.337) 5.027 4.426 ( -0.615 4.408 2.337) 5.027 4.511 ( 0.235 -3.830 -2.888) 4.803 4.511 ( 0.235 3.830 -2.888) 4.803 4.691 ( -2.472 -1.036 8.828) 9.226 4.691 ( -2.472 1.036 8.828) 9.226 4.848 ( -1.396 -2.911 2.474) 4.067 4.848 ( -1.396 2.911 2.474) 4.067 4.915 ( -0.374 -0.883 -2.202) 2.402 4.915 ( -0.374 0.883 -2.202) 2.402 5.170 ( 3.899 -3.121 -4.029) 6.417 5.170 ( 3.899 3.121 -4.029) 6.417 5.540 ( 2.608 -1.809 2.327) 3.936 5.540 ( 2.608 1.809 2.327) 3.936 5.663 ( 0.324 -2.804 -1.943) 3.427 5.663 ( 0.324 2.804 -1.943) 3.427 5.804 ( 5.259 -2.222 4.797) 7.457 5.804 ( 5.259 2.222 4.797) 7.457 5.966 ( -1.444 -1.033 -4.120) 4.486 5.966 ( -1.444 1.033 -4.120) 4.486 6.041 ( 1.736 -1.719 -8.121) 8.480 6.041 ( 1.736 1.719 -8.121) 8.480 6.670 ( -2.067 -1.000 3.470) 4.161 6.670 ( -2.067 1.000 3.470) 4.161 6.960 ( -2.455 -3.226 1.850) 4.456 6.960 ( -2.455 3.226 1.850) 4.456 7.297 ( 0.543 -0.295 4.562) 4.604 7.297 ( 0.543 0.295 4.562) 4.604 7.366 ( -3.890 -1.541 4.196) 5.926 7.366 ( -3.890 1.541 4.196) 5.926 7.918 ( 0.182 -2.577 -2.958) 3.927 7.918 ( 0.182 2.577 -2.958) 3.927 8.214 ( -0.714 -2.022 -0.805) 2.290 8.214 ( -0.714 2.022 -0.805) 2.290 8.649 ( 2.812 -2.629 1.634) 4.182 8.649 ( 2.812 2.629 1.634) 4.182 8.966 ( 0.997 -1.835 3.112) 3.748 8.966 ( 0.997 1.835 3.112) 3.748 9.381 ( 1.200 -4.942 -6.092) 7.936 9.381 ( 1.200 4.942 -6.092) 7.936 10.079 ( -2.177 -3.188 2.536) 4.618 10.079 ( -2.177 3.188 2.536) 4.618 10.277 ( 1.259 -4.757 -1.942) 5.290 10.277 ( 1.259 4.757 -1.942) 5.290 10.632 ( 2.353 -2.691 3.152) 4.766 10.632 ( 2.353 2.691 3.152) 4.766 10.781 ( -4.204 -6.208 -6.456) 9.894 10.781 ( -4.204 6.208 -6.456) 9.894 21.429 ( -1.314 -2.608 2.774) 4.028 21.429 ( -1.314 2.608 2.774) 4.028 21.545 ( 0.933 -1.796 -2.725) 3.394 21.545 ( 0.933 1.796 -2.725) 3.394 22.711 ( 0.238 -0.493 -0.036) 0.549 22.711 ( 0.238 0.493 -0.036) 0.549 22.864 ( 0.218 -0.358 0.172) 0.453 22.864 ( 0.218 0.358 0.172) 0.453 23.681 ( -0.236 -2.235 0.313) 2.269 23.681 ( -0.236 2.235 0.313) 2.269 23.870 ( -0.259 -3.247 -0.298) 3.271 23.870 ( -0.259 3.247 -0.298) 3.271 26.760 ( 0.002 -0.886 0.911) 1.270 26.760 ( 0.002 0.886 0.911) 1.270 27.026 ( 0.609 -0.280 -0.893) 1.116 27.026 ( 0.609 0.280 -0.893) 1.116 29.748 ( -3.896 -4.192 -1.066) 5.822 29.748 ( -3.896 4.192 -1.066) 5.822 29.816 ( 5.407 -4.470 0.576) 7.038 29.816 ( 5.407 4.470 0.576) 7.038 32.185 ( 0.909 -5.979 1.312) 6.189 32.185 ( 0.909 5.979 1.312) 6.189 32.214 ( -0.425 -6.275 -1.502) 6.466 32.214 ( -0.425 6.275 -1.502) 6.466 33.648 ( -0.579 -2.826 1.846) 3.425 33.648 ( -0.579 2.826 1.846) 3.425 33.714 ( 0.020 -3.312 -1.782) 3.761 33.714 ( 0.020 3.312 -1.782) 3.761 35.327 ( 0.147 -0.177 -0.033) 0.233 35.327 ( 0.147 0.177 -0.033) 0.233 35.487 ( 0.033 -0.443 0.396) 0.595 35.487 ( 0.033 0.443 0.396) 0.595 89.204 ( -1.761 -1.798 3.322) 4.168 89.204 ( -1.761 1.798 3.322) 4.168 89.482 ( -0.790 -2.347 -1.495) 2.893 89.482 ( -0.790 2.347 -1.495) 2.893 92.393 ( -0.576 -1.881 2.482) 3.168 92.393 ( -0.576 1.881 2.482) 3.168 92.540 ( 0.171 -1.497 -2.964) 3.325 92.540 ( 0.171 1.497 -2.964) 3.325 97.935 ( 1.322 -0.995 1.145) 2.012 97.935 ( 1.322 0.995 1.145) 2.012 98.036 ( -0.960 -3.171 -1.958) 3.849 98.036 ( -0.960 3.171 -1.958) 3.849 103.704 ( 0.009 -0.064 0.173) 0.185 103.704 ( 0.009 0.064 0.173) 0.185 103.854 ( 0.527 -0.353 -0.018) 0.635 103.854 ( 0.527 0.353 -0.018) 0.635 ======================= Grid point 165 (90/112) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -2.005 -5.481 2.145) 6.218 1.150 ( -2.005 5.481 2.145) 6.218 1.430 ( 0.507 -6.874 -5.643) 8.908 1.430 ( 0.507 6.874 -5.643) 8.908 1.814 ( -1.023 -1.130 -1.855) 2.401 1.814 ( -1.023 1.130 -1.855) 2.401 2.064 ( 1.424 -1.066 -3.417) 3.853 2.064 ( 1.424 1.066 -3.417) 3.853 2.260 ( 1.241 -4.507 9.237) 10.352 2.260 ( 1.241 4.507 9.237) 10.352 2.338 ( 4.278 -3.642 0.664) 5.657 2.338 ( 4.278 3.642 0.664) 5.657 2.430 ( -3.379 -6.768 0.866) 7.614 2.430 ( -3.379 6.768 0.866) 7.614 2.574 ( 4.605 -3.997 -0.761) 6.144 2.574 ( 4.605 3.997 -0.761) 6.144 2.804 ( -0.290 -2.219 -0.828) 2.386 2.804 ( -0.290 2.219 -0.828) 2.386 3.091 ( -0.710 -4.172 3.650) 5.589 3.091 ( -0.710 4.172 3.650) 5.589 3.444 ( -4.278 -4.087 -0.880) 5.982 3.444 ( -4.278 4.087 -0.880) 5.982 3.670 ( 0.984 -3.090 -3.562) 4.818 3.670 ( 0.984 3.090 -3.562) 4.818 4.409 ( -2.337 -3.778 0.161) 4.445 4.409 ( -2.337 3.778 0.161) 4.445 4.493 ( 0.241 -4.016 -1.632) 4.341 4.493 ( 0.241 4.016 -1.632) 4.341 4.740 ( -2.214 -1.533 6.714) 7.234 4.740 ( -2.214 1.533 6.714) 7.234 4.863 ( 1.586 -3.109 1.463) 3.784 4.863 ( 1.586 3.109 1.463) 3.784 4.948 ( 2.757 -1.687 2.679) 4.198 4.948 ( 2.757 1.687 2.679) 4.198 5.208 ( 3.672 -2.537 -1.180) 4.617 5.208 ( 3.672 2.537 -1.180) 4.617 5.579 ( 1.782 -3.621 -3.119) 5.101 5.579 ( 1.782 3.621 -3.119) 5.101 5.640 ( 1.225 -0.635 -3.487) 3.750 5.640 ( 1.225 0.635 -3.487) 3.750 5.837 ( -1.735 -1.719 -6.578) 7.017 5.837 ( -1.735 1.719 -6.578) 7.017 5.933 ( 3.681 -3.855 1.202) 5.464 5.933 ( 3.681 3.855 1.202) 5.464 6.084 ( 6.074 -1.441 -0.064) 6.243 6.084 ( 6.074 1.441 -0.064) 6.243 6.652 ( -3.556 -4.152 1.457) 5.658 6.652 ( -3.556 4.152 1.457) 5.658 6.967 ( -0.770 -2.168 5.017) 5.519 6.967 ( -0.770 2.168 5.017) 5.519 7.300 ( -2.625 -5.814 -0.695) 6.417 7.300 ( -2.625 5.814 -0.695) 6.417 7.380 ( -1.558 -2.122 5.285) 5.904 7.380 ( -1.558 2.122 5.285) 5.904 7.884 ( -0.963 -4.939 -1.103) 5.152 7.884 ( -0.963 4.939 -1.103) 5.152 8.153 ( -4.093 -2.502 -2.648) 5.480 8.153 ( -4.093 2.502 -2.648) 5.480 8.738 ( 6.433 -2.740 0.359) 7.001 8.738 ( 6.433 2.740 0.359) 7.001 8.975 ( -1.840 -4.825 -1.086) 5.277 8.975 ( -1.840 4.825 -1.086) 5.277 9.326 ( -0.296 -3.686 -4.798) 6.057 9.326 ( -0.296 3.686 -4.798) 6.057 10.095 ( -0.567 -3.642 4.485) 5.805 10.095 ( -0.567 3.642 4.485) 5.805 10.262 ( -0.069 -0.900 -2.429) 2.591 10.262 ( -0.069 0.900 -2.429) 2.591 10.609 ( -3.456 -4.236 -5.569) 7.804 10.609 ( -3.456 4.236 -5.569) 7.804 10.777 ( 3.109 -0.987 7.243) 7.943 10.777 ( 3.109 0.987 7.243) 7.943 21.442 ( -1.167 -2.462 3.221) 4.219 21.442 ( -1.167 2.462 3.221) 4.219 21.535 ( 1.193 -2.108 -2.403) 3.412 21.535 ( 1.193 2.108 -2.403) 3.412 22.718 ( 0.696 -0.258 -0.012) 0.743 22.718 ( 0.696 0.258 -0.012) 0.743 22.871 ( 0.511 -0.940 0.037) 1.071 22.871 ( 0.511 0.940 0.037) 1.071 23.669 ( -1.137 -2.278 -0.350) 2.570 23.669 ( -1.137 2.278 -0.350) 2.570 23.863 ( -0.421 -2.277 0.063) 2.317 23.863 ( -0.421 2.277 0.063) 2.317 26.770 ( 0.263 -0.644 0.563) 0.894 26.770 ( 0.263 0.644 0.563) 0.894 27.039 ( 1.620 -0.860 -0.246) 1.850 27.039 ( 1.620 0.860 -0.246) 1.850 29.672 ( -3.268 -3.721 -1.083) 5.070 29.672 ( -3.268 3.721 -1.083) 5.070 29.931 ( 6.818 -5.561 0.822) 8.837 29.931 ( 6.818 5.561 0.822) 8.837 32.188 ( -0.395 -5.893 -1.233) 6.033 32.188 ( -0.395 5.893 -1.233) 6.033 32.221 ( 1.318 -6.284 0.997) 6.497 32.221 ( 1.318 6.284 0.997) 6.497 33.656 ( -0.825 -1.891 1.702) 2.675 33.656 ( -0.825 1.891 1.702) 2.675 33.692 ( -0.372 -2.215 -1.535) 2.720 33.692 ( -0.372 2.215 -1.535) 2.720 35.333 ( 0.573 -0.426 -0.052) 0.716 35.333 ( 0.573 0.426 -0.052) 0.716 35.493 ( 0.178 -0.902 0.267) 0.957 35.493 ( 0.178 0.902 0.267) 0.957 89.198 ( -2.897 -2.265 2.705) 4.565 89.198 ( -2.897 2.265 2.705) 4.565 89.436 ( -2.961 -0.150 -1.447) 3.299 89.436 ( -2.961 0.150 -1.447) 3.299 92.403 ( -0.832 -1.267 1.223) 1.947 92.403 ( -0.832 1.267 1.223) 1.947 92.535 ( 1.487 -0.173 -0.157) 1.505 92.535 ( 1.487 0.173 -0.157) 1.505 97.910 ( -2.074 -1.987 -2.595) 3.871 97.910 ( -2.074 1.987 -2.595) 3.871 98.055 ( 2.138 -3.051 1.888) 4.177 98.055 ( 2.138 3.051 1.888) 4.177 103.707 ( 0.143 -0.572 0.138) 0.605 103.707 ( 0.143 0.572 0.138) 0.605 103.866 ( 1.131 -0.470 -0.296) 1.261 103.866 ( 1.131 0.470 -0.296) 1.261 ======================= Grid point 167 (91/112) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -2.009 -7.937 2.235) 8.487 1.135 ( -2.009 7.937 2.235) 8.487 1.394 ( -1.590 -14.881 0.798) 14.987 1.394 ( -1.590 14.881 0.798) 14.987 1.783 ( 1.397 -4.985 -4.317) 6.741 1.783 ( 1.397 4.985 -4.317) 6.741 2.025 ( -0.841 -1.781 -2.623) 3.280 2.025 ( -0.841 1.781 -2.623) 3.280 2.312 ( -3.518 -3.609 3.840) 6.336 2.312 ( -3.518 3.609 3.840) 6.336 2.408 ( 1.588 -1.807 0.842) 2.549 2.408 ( 1.588 1.807 0.842) 2.549 2.486 ( 5.938 -5.387 4.561) 9.224 2.486 ( 5.938 5.387 4.561) 9.224 2.692 ( 9.720 -3.429 2.606) 10.631 2.692 ( 9.720 3.429 2.606) 10.631 2.807 ( -0.725 -1.171 2.073) 2.489 2.807 ( -0.725 1.171 2.073) 2.489 3.106 ( -2.121 -4.995 2.452) 5.955 3.106 ( -2.121 4.995 2.452) 5.955 3.355 ( -3.415 -5.660 -3.357) 7.414 3.355 ( -3.415 5.660 -3.357) 7.414 3.618 ( -1.519 -2.418 -4.771) 5.561 3.618 ( -1.519 2.418 -4.771) 5.561 4.389 ( -0.380 -4.275 0.817) 4.369 4.389 ( -0.380 4.275 0.817) 4.369 4.479 ( -0.065 -2.148 -0.137) 2.153 4.479 ( -0.065 2.148 -0.137) 2.153 4.769 ( -1.190 -1.700 3.773) 4.306 4.769 ( -1.190 1.700 3.773) 4.306 4.923 ( 2.616 -2.275 1.925) 3.965 4.923 ( 2.616 2.275 1.925) 3.965 5.027 ( 1.558 -1.330 5.035) 5.435 5.027 ( 1.558 1.330 5.035) 5.435 5.249 ( 1.773 -1.728 0.557) 2.538 5.249 ( 1.773 1.728 0.557) 2.538 5.543 ( 0.513 -3.538 -4.903) 6.068 5.543 ( 0.513 3.538 -4.903) 6.068 5.609 ( 2.095 -0.981 -8.271) 8.589 5.609 ( 2.095 0.981 -8.271) 8.589 5.797 ( 1.432 -2.797 -0.715) 3.223 5.797 ( 1.432 2.797 -0.715) 3.223 5.972 ( 2.061 -6.622 -1.194) 7.037 5.972 ( 2.061 6.622 -1.194) 7.037 6.184 ( 4.886 -1.447 0.692) 5.142 6.184 ( 4.886 1.447 0.692) 5.142 6.589 ( -4.657 -5.513 -0.618) 7.243 6.589 ( -4.657 5.513 -0.618) 7.243 7.026 ( -0.982 -2.098 4.869) 5.392 7.026 ( -0.982 2.098 4.869) 5.392 7.216 ( -0.492 -7.794 -7.454) 10.796 7.216 ( -0.492 7.794 -7.454) 10.796 7.407 ( -2.908 -0.445 4.898) 5.713 7.407 ( -2.908 0.445 4.898) 5.713 7.874 ( -1.454 -9.043 2.975) 9.630 7.874 ( -1.454 9.043 2.975) 9.630 8.063 ( -2.623 -4.408 -1.968) 5.493 8.063 ( -2.623 4.408 -1.968) 5.493 8.824 ( 4.531 -5.677 -5.801) 9.296 8.824 ( 4.531 5.677 -5.801) 9.296 8.910 ( -1.442 -6.706 -0.663) 6.892 8.910 ( -1.442 6.706 -0.663) 6.892 9.273 ( -1.117 -2.892 -2.858) 4.217 9.273 ( -1.117 2.892 -2.858) 4.217 10.142 ( -0.612 -5.881 4.340) 7.335 10.142 ( -0.612 5.881 4.340) 7.335 10.227 ( -0.360 -1.173 -2.542) 2.822 10.227 ( -0.360 1.173 -2.542) 2.822 10.516 ( -2.681 -3.453 -1.383) 4.585 10.516 ( -2.681 3.453 -1.383) 4.585 10.921 ( 3.548 -1.559 8.226) 9.094 10.921 ( 3.548 1.559 8.226) 9.094 21.459 ( -1.358 -2.033 3.580) 4.336 21.459 ( -1.358 2.033 3.580) 4.336 21.533 ( 1.551 -2.142 -1.992) 3.311 21.533 ( 1.551 2.142 -1.992) 3.311 22.733 ( 1.098 -0.659 0.089) 1.283 22.733 ( 1.098 0.659 0.089) 1.283 22.878 ( 0.391 -1.197 -0.206) 1.276 22.878 ( 0.391 1.197 -0.206) 1.276 23.641 ( -1.319 -2.257 -0.871) 2.755 23.641 ( -1.319 2.257 -0.871) 2.755 23.857 ( -0.483 -1.739 0.223) 1.818 23.857 ( -0.483 1.739 0.223) 1.818 26.783 ( 0.510 -0.382 0.799) 1.022 26.783 ( 0.510 0.382 0.799) 1.022 27.063 ( 1.469 -1.365 -0.385) 2.042 27.063 ( 1.469 1.365 -0.385) 2.042 29.634 ( -1.192 -3.617 1.231) 4.002 29.634 ( -1.192 3.617 1.231) 4.002 30.032 ( 5.334 -6.373 -0.885) 8.358 30.032 ( 5.334 6.373 -0.885) 8.358 32.174 ( 0.108 -5.829 -0.613) 5.863 32.174 ( 0.108 5.829 -0.613) 5.863 32.249 ( 0.980 -6.649 0.574) 6.746 32.249 ( 0.980 6.649 0.574) 6.746 33.656 ( -0.778 -2.375 0.245) 2.511 33.656 ( -0.778 2.375 0.245) 2.511 33.673 ( -0.593 -1.998 -0.093) 2.086 33.673 ( -0.593 1.998 -0.093) 2.086 35.344 ( 0.975 -0.833 -0.065) 1.284 35.344 ( 0.975 0.833 -0.065) 1.284 35.495 ( -0.052 -1.619 -0.123) 1.624 35.495 ( -0.052 1.619 -0.123) 1.624 89.173 ( -3.570 -2.631 2.508) 5.095 89.173 ( -3.570 2.631 2.508) 5.095 89.361 ( -3.812 -1.532 -1.893) 4.524 89.361 ( -3.812 1.532 -1.893) 4.524 92.394 ( -0.733 -0.502 -0.141) 0.899 92.394 ( -0.733 0.502 -0.141) 0.899 92.575 ( 1.656 -1.966 2.091) 3.313 92.575 ( 1.656 1.966 2.091) 3.313 97.860 ( -1.062 -1.234 -0.850) 1.836 97.860 ( -1.062 1.234 -0.850) 1.836 98.103 ( 1.323 -4.803 1.113) 5.105 98.103 ( 1.323 4.803 1.113) 5.105 103.711 ( 0.187 -0.930 0.136) 0.958 103.711 ( 0.187 0.930 0.136) 0.958 103.880 ( 1.331 -0.701 -0.841) 1.723 103.880 ( 1.331 0.701 -0.841) 1.723 ======================= Grid point 169 (92/112) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -0.607 -11.101 5.894) 12.583 1.155 ( -0.607 11.101 5.894) 12.583 1.396 ( -1.364 -16.867 3.712) 17.325 1.396 ( -1.364 16.867 3.712) 17.325 1.761 ( 2.491 -5.856 -5.617) 8.488 1.761 ( 2.491 5.856 -5.617) 8.488 1.991 ( 0.106 -1.396 -3.437) 3.712 1.991 ( 0.106 1.396 -3.437) 3.712 2.290 ( -2.855 -9.502 4.082) 10.728 2.290 ( -2.855 9.502 4.082) 10.728 2.457 ( 0.664 -5.950 3.225) 6.801 2.457 ( 0.664 5.950 3.225) 6.801 2.593 ( 3.594 -4.032 0.957) 5.486 2.593 ( 3.594 4.032 0.957) 5.486 2.822 ( -1.993 -0.421 5.229) 5.612 2.822 ( -1.993 0.421 5.229) 5.612 2.904 ( 9.609 -2.969 4.190) 10.895 2.904 ( 9.609 2.969 4.190) 10.895 3.070 ( -2.392 -3.274 -0.890) 4.151 3.070 ( -2.392 3.274 -0.890) 4.151 3.277 ( -2.372 -7.112 -2.429) 7.881 3.277 ( -2.372 7.112 -2.429) 7.881 3.532 ( -1.354 -2.706 -6.400) 7.079 3.532 ( -1.354 2.706 -6.400) 7.079 4.414 ( 0.931 -4.710 2.698) 5.507 4.414 ( 0.931 4.710 2.698) 5.507 4.504 ( 1.761 -2.776 2.355) 4.044 4.504 ( 1.761 2.776 2.355) 4.044 4.784 ( -0.656 -1.801 1.782) 2.617 4.784 ( -0.656 1.801 1.782) 2.617 4.945 ( -1.889 -0.783 0.268) 2.063 4.945 ( -1.889 0.783 0.268) 2.063 5.113 ( 0.597 -1.893 7.692) 7.944 5.113 ( 0.597 1.893 7.692) 7.944 5.276 ( 1.656 -1.708 -0.914) 2.549 5.276 ( 1.656 1.708 -0.914) 2.549 5.485 ( -1.731 -2.082 -3.780) 4.650 5.485 ( -1.731 2.082 -3.780) 4.650 5.599 ( 7.316 -3.704 -6.247) 10.309 5.599 ( 7.316 3.704 -6.247) 10.309 5.797 ( -0.726 -1.533 -1.318) 2.148 5.797 ( -0.726 1.533 -1.318) 2.148 5.999 ( 2.076 -6.298 -0.727) 6.671 5.999 ( 2.076 6.298 -0.727) 6.671 6.249 ( 3.114 -0.925 0.077) 3.249 6.249 ( 3.114 0.925 0.077) 3.249 6.508 ( -3.334 -3.902 -1.243) 5.280 6.508 ( -3.334 3.902 -1.243) 5.280 6.942 ( -6.675 -3.717 -6.435) 9.989 6.942 ( -6.675 3.717 -6.435) 9.989 7.191 ( 0.250 -8.441 -1.885) 8.652 7.191 ( 0.250 8.441 -1.885) 8.652 7.387 ( -0.917 -1.964 0.573) 2.242 7.387 ( -0.917 1.964 0.573) 2.242 7.848 ( -6.508 -8.954 1.109) 11.125 7.848 ( -6.508 8.954 1.109) 11.125 8.105 ( 6.661 -2.567 5.550) 9.042 8.105 ( 6.661 2.567 5.550) 9.042 8.736 ( -1.557 -5.441 -8.719) 10.395 8.736 ( -1.557 5.441 -8.719) 10.395 8.946 ( 1.952 -6.814 0.227) 7.091 8.946 ( 1.952 6.814 0.227) 7.091 9.237 ( -0.027 -2.012 -1.700) 2.634 9.237 ( -0.027 2.012 -1.700) 2.634 10.127 ( -2.722 -6.233 -1.058) 6.883 10.127 ( -2.722 6.233 -1.058) 6.883 10.229 ( 0.491 -1.222 1.706) 2.156 10.229 ( 0.491 1.222 1.706) 2.156 10.498 ( -0.064 -3.032 1.604) 3.431 10.498 ( -0.064 3.032 1.604) 3.431 11.048 ( 1.672 -1.577 7.163) 7.523 11.048 ( 1.672 1.577 7.163) 7.523 21.472 ( -1.892 -1.420 3.531) 4.250 21.472 ( -1.892 1.420 3.531) 4.250 21.541 ( 1.872 -1.874 -1.616) 3.102 21.541 ( 1.872 1.874 -1.616) 3.102 22.751 ( 0.904 -0.614 0.128) 1.100 22.751 ( 0.904 0.614 0.128) 1.100 22.879 ( 0.111 -0.945 -0.370) 1.021 22.879 ( 0.111 0.945 -0.370) 1.021 23.613 ( -0.788 -2.155 -0.982) 2.496 23.613 ( -0.788 2.155 -0.982) 2.496 23.852 ( -0.351 -1.540 0.123) 1.585 23.852 ( -0.351 1.540 0.123) 1.585 26.803 ( 0.398 -0.382 1.461) 1.562 26.803 ( 0.398 0.382 1.461) 1.562 27.071 ( 0.569 -1.303 -1.169) 1.841 27.071 ( 0.569 1.303 -1.169) 1.841 29.663 ( 0.993 -3.446 4.232) 5.547 29.663 ( 0.993 3.446 4.232) 5.547 30.071 ( 2.080 -6.375 -3.279) 7.464 30.071 ( 2.080 6.375 -3.279) 7.464 32.181 ( 0.839 -5.848 0.436) 5.924 32.181 ( 0.839 5.848 0.436) 5.924 32.261 ( 0.086 -6.811 -0.141) 6.813 32.261 ( 0.086 6.811 -0.141) 6.813 33.636 ( -0.993 -2.016 -0.780) 2.378 33.636 ( -0.993 2.016 -0.780) 2.378 33.674 ( -0.025 -1.467 0.822) 1.682 33.674 ( -0.025 1.467 0.822) 1.682 35.361 ( 1.062 -1.202 0.024) 1.604 35.361 ( 1.062 1.202 0.024) 1.604 35.486 ( -0.629 -1.879 -0.675) 2.094 35.486 ( -0.629 1.879 -0.675) 2.094 89.141 ( -4.321 -2.761 3.311) 6.104 89.141 ( -4.321 2.761 3.311) 6.104 89.288 ( -1.478 -1.553 -2.972) 3.664 89.288 ( -1.478 1.553 -2.972) 3.664 92.381 ( -0.621 -0.497 -0.295) 0.849 92.381 ( -0.621 0.497 -0.295) 0.849 92.618 ( 0.673 -2.501 1.964) 3.251 92.618 ( 0.673 2.501 1.964) 3.251 97.870 ( 1.434 -1.485 2.198) 3.016 97.870 ( 1.434 1.485 2.198) 3.016 98.113 ( -0.458 -5.375 -0.647) 5.433 98.113 ( -0.458 5.375 -0.647) 5.433 103.715 ( 0.104 -0.963 0.180) 0.985 103.715 ( 0.104 0.963 0.180) 0.985 103.886 ( 0.854 -0.775 -1.384) 1.802 103.886 ( 0.854 0.775 -1.384) 1.802 ======================= Grid point 189 (93/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 4.032 0.000 -19.785) 20.191 1.164 ( -4.032 0.000 19.785) 20.191 1.290 ( 3.013 0.000 -20.004) 20.230 1.290 ( -3.013 0.000 20.004) 20.230 1.890 ( 0.347 0.000 -6.710) 6.719 1.890 ( -0.347 0.000 6.710) 6.719 2.190 ( -1.562 0.000 -0.828) 1.768 2.190 ( 1.562 0.000 0.828) 1.768 2.258 ( 3.284 0.000 -9.588) 10.135 2.258 ( -3.284 0.000 9.588) 10.135 2.521 ( 1.615 0.000 -7.662) 7.830 2.521 ( -1.615 0.000 7.662) 7.830 2.678 ( -0.237 0.000 -1.185) 1.209 2.678 ( 0.237 0.000 1.185) 1.209 2.748 ( -0.407 0.000 -6.371) 6.384 2.748 ( 0.407 0.000 6.371) 6.384 2.935 ( 0.103 0.000 -0.069) 0.124 2.935 ( -0.103 0.000 0.069) 0.124 3.049 ( 4.687 0.000 -4.120) 6.240 3.049 ( -4.687 0.000 4.120) 6.240 3.289 ( -1.517 0.000 -8.924) 9.052 3.289 ( 1.517 0.000 8.924) 9.052 3.448 ( 2.718 0.000 -6.132) 6.707 3.448 ( -2.718 0.000 6.132) 6.707 4.289 ( -3.599 0.000 0.450) 3.627 4.289 ( 3.599 0.000 -0.450) 3.627 4.675 ( -1.493 0.000 -2.061) 2.545 4.675 ( 1.493 0.000 2.061) 2.545 4.881 ( 1.841 0.000 -7.676) 7.894 4.881 ( -1.841 0.000 7.676) 7.894 5.152 ( -7.912 0.000 -2.000) 8.161 5.152 ( 7.912 0.000 2.000) 8.161 5.300 ( 7.679 0.000 -3.102) 8.282 5.300 ( -7.679 0.000 3.102) 8.282 5.357 ( 1.507 0.000 -4.018) 4.292 5.357 ( -1.507 0.000 4.018) 4.292 5.478 ( 1.958 0.000 -1.737) 2.618 5.478 ( -1.958 0.000 1.737) 2.618 5.568 ( 1.981 0.000 -5.193) 5.558 5.568 ( -1.981 0.000 5.193) 5.558 5.710 ( 0.481 0.000 -1.622) 1.692 5.710 ( -0.481 0.000 1.622) 1.692 6.124 ( -4.557 0.000 -0.652) 4.603 6.124 ( 4.557 0.000 0.652) 4.603 6.300 ( 3.697 0.000 -3.719) 5.243 6.300 ( -3.697 0.000 3.719) 5.243 6.454 ( -1.259 0.000 -1.582) 2.021 6.454 ( 1.259 0.000 1.582) 2.021 6.612 ( -1.719 0.000 -8.949) 9.113 6.612 ( 1.719 0.000 8.949) 9.113 6.852 ( -2.444 0.000 -12.427) 12.665 6.852 ( 2.444 0.000 12.427) 12.665 7.307 ( 0.719 0.000 -2.805) 2.896 7.307 ( -0.719 0.000 2.805) 2.896 7.956 ( 10.333 0.000 -5.521) 11.716 7.956 ( -10.333 0.000 5.521) 11.716 8.123 ( -11.582 0.000 -0.373) 11.588 8.123 ( 11.582 0.000 0.373) 11.588 8.418 ( -6.241 0.000 -4.862) 7.912 8.418 ( 6.241 0.000 4.862) 7.912 8.972 ( 3.757 0.000 -12.807) 13.346 8.972 ( -3.757 0.000 12.807) 13.346 9.391 ( 9.155 0.000 -9.173) 12.960 9.391 ( -9.155 0.000 9.173) 12.960 10.159 ( 1.321 0.000 -4.539) 4.728 10.159 ( -1.321 0.000 4.539) 4.728 10.221 ( -11.070 0.000 0.079) 11.070 10.221 ( 11.070 0.000 -0.079) 11.070 10.551 ( 0.373 0.000 -0.366) 0.523 10.551 ( -0.373 0.000 0.366) 0.523 11.185 ( -5.201 0.000 1.696) 5.470 11.185 ( 5.201 0.000 -1.696) 5.470 21.556 ( -3.159 0.000 0.051) 3.159 21.556 ( 3.159 0.000 -0.051) 3.159 21.653 ( -2.542 0.000 0.154) 2.546 21.653 ( 2.542 0.000 -0.154) 2.546 22.717 ( -1.918 0.000 -1.186) 2.255 22.717 ( 1.918 0.000 1.186) 2.255 22.882 ( -1.066 0.000 -0.588) 1.217 22.882 ( 1.066 0.000 0.588) 1.217 23.472 ( 2.017 0.000 -3.980) 4.462 23.472 ( -2.017 0.000 3.980) 4.462 23.928 ( 3.409 0.000 -2.021) 3.963 23.928 ( -3.409 0.000 2.021) 3.963 26.920 ( 3.469 0.000 -3.558) 4.969 26.920 ( -3.469 0.000 3.558) 4.969 26.994 ( -0.412 0.000 -3.467) 3.492 26.994 ( 0.412 0.000 3.467) 3.492 29.748 ( -1.846 0.000 -1.052) 2.125 29.748 ( 1.846 0.000 1.052) 2.125 30.117 ( -2.722 0.000 -7.683) 8.150 30.117 ( 2.722 0.000 7.683) 8.150 31.935 ( -0.335 0.000 -0.900) 0.960 31.935 ( 0.335 0.000 0.900) 0.960 32.494 ( -1.713 0.000 -1.963) 2.605 32.494 ( 1.713 0.000 1.963) 2.605 33.542 ( 0.735 0.000 -0.620) 0.961 33.542 ( -0.735 0.000 0.620) 0.961 33.773 ( 2.589 0.000 -0.864) 2.729 33.773 ( -2.589 0.000 0.864) 2.729 35.338 ( 0.315 0.000 -2.356) 2.377 35.338 ( -0.315 0.000 2.356) 2.377 35.435 ( -0.094 0.000 -2.335) 2.337 35.435 ( 0.094 0.000 2.335) 2.337 89.133 ( 3.580 0.000 -3.461) 4.979 89.133 ( -3.580 0.000 3.461) 4.979 89.342 ( -10.135 0.000 2.680) 10.484 89.342 ( 10.135 0.000 -2.680) 10.484 92.279 ( -3.092 0.000 0.438) 3.123 92.279 ( 3.092 0.000 -0.438) 3.123 92.796 ( -7.397 0.000 -3.565) 8.211 92.796 ( 7.397 0.000 3.565) 8.211 97.858 ( -0.344 0.000 -1.464) 1.504 97.858 ( 0.344 0.000 1.464) 1.504 98.296 ( -9.295 0.000 1.119) 9.362 98.296 ( 9.295 0.000 -1.119) 9.362 103.703 ( -0.347 0.000 -1.204) 1.253 103.703 ( 0.347 0.000 1.204) 1.253 103.788 ( 0.319 0.000 -0.157) 0.355 103.788 ( -0.319 0.000 0.157) 0.355 ======================= Grid point 191 (94/112) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.619 0.000 -20.721) 20.731 1.114 ( 2.501 0.000 -14.719) 14.930 1.316 ( -2.462 0.000 14.220) 14.431 1.476 ( 0.067 0.000 16.341) 16.341 1.838 ( 2.768 0.000 -6.859) 7.397 1.923 ( -0.563 0.000 -0.767) 0.951 2.144 ( -5.335 0.000 1.240) 5.477 2.191 ( 9.568 0.000 -19.797) 21.988 2.233 ( -0.758 0.000 2.703) 2.807 2.267 ( -0.898 0.000 0.454) 1.006 2.380 ( -2.052 0.000 -10.530) 10.728 2.457 ( -5.362 0.000 -0.815) 5.424 2.672 ( -5.942 0.000 -0.149) 5.944 2.691 ( 2.329 0.000 -4.143) 4.753 2.784 ( 1.609 0.000 4.169) 4.468 2.823 ( -5.645 0.000 6.261) 8.430 2.908 ( 0.937 0.000 0.162) 0.951 2.963 ( 2.257 0.000 10.968) 11.198 3.043 ( -2.697 0.000 4.455) 5.208 3.119 ( 7.452 0.000 -4.598) 8.757 3.193 ( -0.457 0.000 -3.691) 3.719 3.424 ( 1.884 0.000 10.122) 10.296 3.425 ( 3.380 0.000 -7.112) 7.874 3.463 ( -2.248 0.000 3.821) 4.433 4.228 ( -3.191 0.000 -1.208) 3.413 4.343 ( 4.551 0.000 -0.672) 4.600 4.653 ( -1.526 0.000 1.227) 1.958 4.741 ( 1.753 0.000 4.288) 4.632 4.852 ( 3.909 0.000 -4.573) 6.016 4.924 ( -3.243 0.000 5.629) 6.496 4.983 ( -9.338 0.000 -1.804) 9.511 5.096 ( -12.588 0.000 -2.736) 12.882 5.258 ( -1.378 0.000 2.850) 3.165 5.274 ( -3.330 0.000 0.013) 3.330 5.308 ( -1.284 0.000 -10.966) 11.041 5.346 ( -4.137 0.000 0.801) 4.213 5.443 ( -3.355 0.000 4.525) 5.633 5.482 ( 0.610 0.000 -2.217) 2.300 5.546 ( -3.718 0.000 3.436) 5.062 5.548 ( 0.366 0.000 0.211) 0.423 5.798 ( 8.867 0.000 -0.957) 8.918 5.809 ( 4.796 0.000 1.966) 5.183 6.072 ( -1.454 0.000 2.987) 3.322 6.136 ( -2.421 0.000 -0.988) 2.614 6.339 ( 4.217 0.000 -4.127) 5.901 6.365 ( 2.433 0.000 3.700) 4.428 6.412 ( -0.895 0.000 -1.042) 1.373 6.464 ( 3.723 0.000 -5.451) 6.601 6.563 ( 2.714 0.000 0.245) 2.725 6.714 ( -2.380 0.000 -1.232) 2.680 6.793 ( 6.479 0.000 6.166) 8.944 7.064 ( 3.461 0.000 15.908) 16.280 7.288 ( 1.868 0.000 -3.330) 3.818 7.323 ( -0.303 0.000 1.856) 1.880 7.844 ( -9.190 0.000 3.779) 9.937 7.896 ( -9.974 0.000 -2.845) 10.372 8.091 ( 7.804 0.000 -1.604) 7.967 8.271 ( -4.310 0.000 2.486) 4.976 8.309 ( 5.366 0.000 0.040) 5.366 8.573 ( 3.290 0.000 8.749) 9.347 8.829 ( -2.292 0.000 -15.521) 15.690 8.971 ( -8.504 0.000 5.388) 10.067 9.376 ( -2.770 0.000 7.141) 7.659 9.445 ( 10.946 0.000 -11.158) 15.631 9.971 ( -13.231 0.000 1.844) 13.359 10.150 ( -4.111 0.000 4.264) 5.923 10.177 ( 4.381 0.000 -6.929) 8.198 10.233 ( -4.399 0.000 -5.752) 7.242 10.619 ( 5.265 0.000 0.159) 5.267 10.721 ( 13.424 0.000 3.365) 13.839 11.115 ( -5.021 0.000 0.619) 5.059 11.255 ( 6.178 0.000 -1.544) 6.369 21.497 ( -4.173 0.000 0.414) 4.193 21.591 ( 1.957 0.000 -0.971) 2.184 21.623 ( -2.296 0.000 1.612) 2.806 21.682 ( -0.320 0.000 0.474) 0.573 22.678 ( -1.656 0.000 -0.616) 1.767 22.759 ( 1.146 0.000 1.563) 1.938 22.858 ( -0.671 0.000 -0.691) 0.963 22.899 ( 0.490 0.000 0.081) 0.496 23.465 ( 2.448 0.000 -3.908) 4.612 23.485 ( -1.574 0.000 3.598) 3.928 23.905 ( -2.232 0.000 2.442) 3.308 23.964 ( 3.864 0.000 -2.257) 4.475 26.899 ( -4.108 0.000 4.040) 5.761 26.916 ( 0.355 0.000 -3.169) 3.188 26.970 ( 1.320 0.000 -2.242) 2.602 27.036 ( 0.130 0.000 2.900) 2.903 29.680 ( -3.646 0.000 -2.857) 4.632 29.761 ( -1.092 0.000 0.507) 1.204 29.979 ( -3.675 0.000 -7.251) 8.130 30.213 ( -0.697 0.000 6.528) 6.565 31.922 ( 0.091 0.000 -1.086) 1.090 31.949 ( 0.522 0.000 0.433) 0.678 32.442 ( -2.002 0.000 -1.648) 2.593 32.528 ( 0.166 0.000 1.328) 1.338 33.543 ( -0.598 0.000 1.191) 1.333 33.558 ( 0.982 0.000 0.894) 1.328 33.751 ( -1.105 0.000 0.900) 1.425 33.809 ( 3.143 0.000 -1.230) 3.375 35.322 ( 0.648 0.000 -2.012) 2.114 35.360 ( -0.170 0.000 2.301) 2.307 35.414 ( 0.339 0.000 -1.839) 1.870 35.463 ( -0.491 0.000 3.019) 3.058 89.139 ( -1.461 0.000 5.731) 5.914 89.165 ( 4.227 0.000 -2.762) 5.050 89.266 ( -4.445 0.000 3.683) 5.772 89.545 ( 13.734 0.000 3.598) 14.197 92.244 ( -1.938 0.000 0.907) 2.139 92.327 ( 3.671 0.000 -0.945) 3.791 92.663 ( -6.044 0.000 -1.070) 6.138 92.952 ( 3.769 0.000 6.154) 7.216 97.838 ( -0.071 0.000 -1.365) 1.367 97.877 ( 0.217 0.000 1.159) 1.179 98.108 ( -11.938 0.000 -3.091) 12.332 98.380 ( 4.424 0.000 -3.242) 5.485 103.688 ( -0.064 0.000 -0.967) 0.970 103.723 ( 0.539 0.000 1.210) 1.325 103.782 ( -0.547 0.000 -0.010) 0.547 103.792 ( 0.458 0.000 -0.155) 0.483 ======================= Grid point 192 (95/112) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 8.368 0.000 -15.425) 17.549 1.047 ( 8.526 0.000 -13.520) 15.984 1.424 ( -3.752 0.000 14.587) 15.062 1.591 ( -3.351 0.000 7.834) 8.520 1.806 ( -4.484 0.000 0.872) 4.568 1.875 ( -0.511 0.000 -4.114) 4.145 2.085 ( -3.445 0.000 5.141) 6.188 2.123 ( -7.660 0.000 -5.638) 9.512 2.155 ( 15.703 0.000 -24.754) 29.314 2.247 ( -1.078 0.000 -5.325) 5.433 2.335 ( 2.174 0.000 0.008) 2.174 2.397 ( -1.412 0.000 -0.654) 1.556 2.540 ( -9.572 0.000 -0.033) 9.572 2.661 ( -0.162 0.000 -4.012) 4.015 2.756 ( -5.739 0.000 2.144) 6.126 2.759 ( -2.322 0.000 -1.466) 2.746 2.985 ( 3.415 0.000 -2.045) 3.980 3.056 ( -0.478 0.000 3.869) 3.899 3.115 ( 3.866 0.000 -2.893) 4.829 3.162 ( 0.515 0.000 15.757) 15.765 3.274 ( 6.437 0.000 2.352) 6.853 3.408 ( 4.257 0.000 -6.869) 8.082 3.444 ( -2.659 0.000 1.208) 2.921 3.559 ( 0.951 0.000 9.185) 9.234 4.179 ( -1.792 0.000 0.115) 1.796 4.430 ( 6.102 0.000 0.586) 6.130 4.641 ( -0.668 0.000 0.244) 0.711 4.750 ( -10.045 0.000 -8.272) 13.012 4.822 ( 0.775 0.000 2.571) 2.685 4.834 ( -4.469 0.000 -2.033) 4.910 4.915 ( 3.694 0.000 0.978) 3.821 4.994 ( -8.744 0.000 12.191) 15.002 5.156 ( -1.552 0.000 -9.653) 9.777 5.214 ( -6.255 0.000 3.355) 7.098 5.241 ( -4.115 0.000 3.361) 5.314 5.302 ( -4.025 0.000 3.870) 5.584 5.402 ( -6.256 0.000 -0.243) 6.260 5.415 ( -7.199 0.000 2.608) 7.657 5.529 ( -0.684 0.000 -2.604) 2.692 5.580 ( 2.805 0.000 1.051) 2.995 5.830 ( -1.051 0.000 -0.591) 1.206 5.937 ( 8.576 0.000 0.288) 8.581 6.084 ( -0.713 0.000 -3.004) 3.087 6.157 ( 4.482 0.000 4.406) 6.285 6.312 ( -2.053 0.000 -9.398) 9.620 6.325 ( 1.334 0.000 -4.785) 4.968 6.424 ( 2.120 0.000 -0.329) 2.145 6.511 ( 4.444 0.000 -1.648) 4.740 6.687 ( 0.702 0.000 4.081) 4.141 6.687 ( 4.549 0.000 3.907) 5.996 6.971 ( 4.416 0.000 7.064) 8.330 7.156 ( -1.372 0.000 -2.292) 2.671 7.334 ( -0.295 0.000 1.015) 1.057 7.392 ( 3.137 0.000 11.661) 12.075 7.760 ( -5.486 0.000 2.887) 6.199 7.768 ( -3.900 0.000 4.396) 5.877 8.194 ( 7.742 0.000 -3.172) 8.367 8.206 ( -5.154 0.000 4.641) 6.936 8.447 ( 5.070 0.000 6.220) 8.025 8.586 ( -6.053 0.000 -15.701) 16.827 8.638 ( -11.360 0.000 9.227) 14.636 8.900 ( 2.932 0.000 -2.688) 3.978 9.451 ( 1.242 0.000 7.872) 7.969 9.501 ( 10.809 0.000 -10.781) 15.266 9.847 ( -5.641 0.000 2.388) 6.126 10.062 ( -6.197 0.000 -8.054) 10.162 10.129 ( -3.636 0.000 3.205) 4.847 10.167 ( 4.401 0.000 -8.228) 9.331 10.699 ( 4.040 0.000 0.793) 4.117 10.882 ( 4.900 0.000 -1.802) 5.221 11.044 ( -4.163 0.000 0.367) 4.180 11.338 ( 4.292 0.000 -1.205) 4.458 21.442 ( -3.834 0.000 1.630) 4.166 21.601 ( 0.742 0.000 -1.765) 1.915 21.610 ( -1.898 0.000 2.074) 2.812 21.633 ( -2.664 0.000 -3.847) 4.680 22.655 ( -0.820 0.000 0.137) 0.831 22.776 ( -1.027 0.000 1.208) 1.585 22.857 ( 0.594 0.000 0.445) 0.742 22.901 ( 0.012 0.000 -0.286) 0.286 23.467 ( 2.697 0.000 -3.454) 4.383 23.497 ( -1.348 0.000 2.976) 3.267 23.911 ( -0.886 0.000 3.189) 3.310 23.998 ( 3.696 0.000 -2.907) 4.702 26.877 ( -4.069 0.000 3.986) 5.696 26.886 ( -0.053 0.000 -2.398) 2.399 26.957 ( -0.364 0.000 -2.159) 2.190 27.052 ( -1.222 0.000 1.453) 1.899 29.595 ( -1.433 0.000 -3.712) 3.979 29.732 ( -2.965 0.000 0.545) 3.014 29.872 ( -1.273 0.000 -4.406) 4.586 30.227 ( -4.518 0.000 3.824) 5.919 31.916 ( 0.577 0.000 -0.900) 1.069 31.959 ( 0.382 0.000 -0.087) 0.392 32.404 ( -1.064 0.000 -0.421) 1.144 32.527 ( -1.261 0.000 0.265) 1.289 33.543 ( -0.813 0.000 0.914) 1.224 33.581 ( -0.030 0.000 1.504) 1.504 33.758 ( 0.247 0.000 1.483) 1.503 33.839 ( 2.493 0.000 -1.849) 3.104 35.318 ( 1.140 0.000 -1.413) 1.815 35.380 ( -0.243 0.000 1.931) 1.946 35.405 ( 0.815 0.000 -1.629) 1.822 35.471 ( -2.315 0.000 2.409) 3.341 89.203 ( 4.411 0.000 -3.129) 5.409 89.203 ( -0.293 0.000 7.161) 7.167 89.265 ( -0.103 0.000 3.620) 3.622 89.785 ( 6.085 0.000 7.448) 9.617 92.239 ( -0.652 0.000 2.079) 2.179 92.370 ( 3.587 0.000 -2.218) 4.217 92.577 ( -4.300 0.000 0.340) 4.314 92.972 ( -6.843 0.000 -0.057) 6.844 97.825 ( -0.167 0.000 -1.302) 1.313 97.887 ( -0.230 0.000 0.614) 0.655 97.926 ( -4.028 0.000 -2.353) 4.665 98.379 ( 1.054 0.000 -4.745) 4.860 103.681 ( 0.301 0.000 -0.573) 0.647 103.745 ( 0.618 0.000 0.852) 1.052 103.770 ( -0.898 0.000 0.034) 0.898 103.800 ( 0.465 0.000 0.167) 0.494 ======================= Grid point 193 (96/112) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 18.091 0.000 -1.403) 18.145 1.096 ( 12.359 0.000 -9.010) 15.295 1.498 ( -3.890 0.000 11.147) 11.806 1.540 ( -8.785 0.000 2.523) 9.140 1.717 ( -7.102 0.000 2.860) 7.656 1.833 ( -2.847 0.000 -5.863) 6.517 1.939 ( -4.465 0.000 -2.409) 5.073 2.114 ( 5.392 0.000 -17.389) 18.206 2.143 ( -0.547 0.000 6.212) 6.236 2.147 ( -2.180 0.000 -7.799) 8.098 2.369 ( 1.758 0.000 0.491) 1.825 2.375 ( -0.920 0.000 0.880) 1.273 2.436 ( 0.901 0.000 -3.064) 3.193 2.627 ( 0.942 0.000 -2.847) 2.999 2.691 ( -6.259 0.000 2.912) 6.903 2.712 ( -2.130 0.000 -0.816) 2.281 2.980 ( 5.656 0.000 -7.811) 9.644 3.107 ( 0.735 0.000 4.530) 4.589 3.181 ( 4.511 0.000 -1.425) 4.730 3.245 ( -7.847 0.000 8.817) 11.804 3.371 ( 3.165 0.000 -0.238) 3.174 3.436 ( 0.268 0.000 2.185) 2.201 3.452 ( 8.160 0.000 -1.930) 8.385 3.641 ( -1.861 0.000 6.949) 7.194 4.179 ( -0.046 0.000 2.606) 2.607 4.491 ( -6.219 0.000 -8.314) 10.382 4.544 ( 4.195 0.000 0.391) 4.213 4.637 ( 0.253 0.000 -0.261) 0.363 4.794 ( -0.409 0.000 1.718) 1.766 4.869 ( -5.655 0.000 10.089) 11.566 4.961 ( 4.015 0.000 -5.480) 6.793 4.984 ( -3.016 0.000 4.562) 5.469 5.079 ( 1.881 0.000 -5.583) 5.892 5.151 ( -8.950 0.000 7.309) 11.555 5.161 ( -5.196 0.000 -2.145) 5.622 5.284 ( -8.870 0.000 0.106) 8.871 5.311 ( -1.617 0.000 5.144) 5.392 5.364 ( -2.434 0.000 4.868) 5.443 5.503 ( -0.714 0.000 3.345) 3.421 5.630 ( 1.444 0.000 0.665) 1.590 5.810 ( -0.088 0.000 -1.570) 1.573 6.055 ( 2.479 0.000 -2.559) 3.563 6.073 ( 6.795 0.000 -0.017) 6.795 6.139 ( -2.946 0.000 -14.558) 14.853 6.220 ( -1.365 0.000 1.330) 1.906 6.299 ( 1.080 0.000 -4.320) 4.453 6.475 ( 3.767 0.000 2.365) 4.448 6.568 ( 4.524 0.000 -0.631) 4.568 6.719 ( -3.356 0.000 7.607) 8.314 6.793 ( 2.741 0.000 -1.515) 3.132 7.063 ( 0.422 0.000 3.261) 3.288 7.089 ( -0.121 0.000 -5.236) 5.238 7.341 ( 0.385 0.000 0.659) 0.763 7.457 ( -5.453 0.000 5.173) 7.516 7.788 ( 0.563 0.000 8.232) 8.251 7.871 ( 5.365 0.000 9.414) 10.836 8.208 ( -3.069 0.000 7.391) 8.003 8.259 ( 5.238 0.000 -4.296) 6.775 8.326 ( -5.911 0.000 -13.751) 14.968 8.457 ( -12.836 0.000 -1.120) 12.885 8.618 ( 5.333 0.000 10.300) 11.599 8.977 ( 4.365 0.000 0.086) 4.366 9.559 ( 9.863 0.000 -9.447) 13.657 9.563 ( 0.759 0.000 8.983) 9.015 9.815 ( -1.949 0.000 1.797) 2.651 9.884 ( -4.375 0.000 -8.021) 9.137 10.108 ( -3.521 0.000 3.513) 4.974 10.140 ( 3.850 0.000 -8.906) 9.702 10.766 ( 1.985 0.000 2.621) 3.287 10.882 ( 1.264 0.000 -5.091) 5.246 11.006 ( -1.591 0.000 2.131) 2.659 11.321 ( -1.354 0.000 -6.261) 6.405 21.411 ( -3.028 0.000 2.910) 4.200 21.518 ( -1.723 0.000 -6.784) 6.999 21.605 ( -1.704 0.000 2.307) 2.868 21.609 ( 1.489 0.000 -2.392) 2.817 22.656 ( 0.346 0.000 0.803) 0.874 22.757 ( -2.095 0.000 0.325) 2.120 22.873 ( 0.262 0.000 0.877) 0.915 22.896 ( -0.086 0.000 -0.474) 0.482 23.477 ( 2.676 0.000 -2.850) 3.909 23.504 ( -1.512 0.000 2.426) 2.858 23.942 ( -0.128 0.000 3.847) 3.849 24.017 ( 2.833 0.000 -3.446) 4.460 26.855 ( -3.682 0.000 3.711) 5.228 26.864 ( 0.163 0.000 -2.193) 2.199 26.926 ( 0.370 0.000 -2.361) 2.390 27.028 ( -2.575 0.000 0.072) 2.576 29.570 ( 1.323 0.000 -1.270) 1.835 29.685 ( -3.333 0.000 0.412) 3.358 29.850 ( 2.096 0.000 -0.988) 2.317 30.155 ( -7.115 0.000 0.675) 7.147 31.921 ( 0.880 0.000 -0.457) 0.992 31.959 ( -0.066 0.000 -0.437) 0.442 32.401 ( 0.213 0.000 0.952) 0.975 32.500 ( -1.702 0.000 -0.590) 1.802 33.540 ( -0.427 0.000 0.657) 0.783 33.583 ( -1.032 0.000 0.490) 1.142 33.785 ( 0.514 0.000 2.131) 2.192 33.848 ( 1.569 0.000 -2.531) 2.978 35.328 ( 1.573 0.000 -0.744) 1.740 35.390 ( -0.661 0.000 1.152) 1.328 35.404 ( 1.182 0.000 -1.520) 1.925 35.445 ( -2.921 0.000 1.245) 3.175 89.235 ( 4.122 0.000 -3.661) 5.513 89.244 ( -1.837 0.000 4.513) 4.873 89.367 ( 4.248 0.000 7.618) 8.722 89.849 ( -3.634 0.000 0.860) 3.734 92.268 ( 0.350 0.000 3.647) 3.664 92.391 ( 2.948 0.000 -3.612) 4.662 92.529 ( -3.018 0.000 1.632) 3.431 92.774 ( -8.506 0.000 -9.212) 12.539 97.818 ( 0.790 0.000 -0.069) 0.793 97.882 ( -0.780 0.000 0.049) 0.782 97.943 ( 2.636 0.000 4.979) 5.634 98.318 ( -1.016 0.000 -6.551) 6.629 103.685 ( 0.704 0.000 -0.128) 0.716 103.745 ( -0.868 0.000 -0.522) 1.013 103.771 ( 0.347 0.000 1.055) 1.111 103.806 ( -0.021 0.000 0.139) 0.140 ======================= Grid point 194 (97/112) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 13.142 0.000 -5.114) 14.102 1.254 ( 16.828 0.000 4.816) 17.503 1.401 ( -11.096 0.000 3.395) 11.604 1.557 ( -5.977 0.000 6.947) 9.164 1.601 ( -8.224 0.000 -5.454) 9.868 1.655 ( -2.400 0.000 -2.021) 3.138 1.958 ( 2.494 0.000 -2.164) 3.302 1.987 ( -3.925 0.000 -3.154) 5.035 2.063 ( 2.587 0.000 -3.512) 4.362 2.131 ( -4.448 0.000 -0.132) 4.450 2.399 ( 0.930 0.000 0.566) 1.088 2.402 ( -0.193 0.000 2.198) 2.206 2.487 ( 8.461 0.000 -2.500) 8.822 2.601 ( -4.730 0.000 -1.983) 5.129 2.636 ( -0.504 0.000 2.127) 2.186 2.669 ( -2.350 0.000 -0.421) 2.387 3.029 ( 11.102 0.000 -8.386) 13.913 3.129 ( -10.814 0.000 8.888) 13.997 3.189 ( -0.675 0.000 1.674) 1.805 3.208 ( 1.892 0.000 -3.052) 3.591 3.415 ( 3.955 0.000 -1.293) 4.160 3.453 ( -2.367 0.000 2.360) 3.342 3.570 ( 7.068 0.000 -0.782) 7.111 3.644 ( -4.880 0.000 3.695) 6.121 4.227 ( 1.473 0.000 4.156) 4.410 4.323 ( -4.096 0.000 -5.800) 7.101 4.618 ( 3.200 0.000 -0.113) 3.202 4.642 ( -0.376 0.000 0.441) 0.579 4.834 ( 3.742 0.000 -0.610) 3.792 4.865 ( -7.495 0.000 10.212) 12.667 4.952 ( 2.715 0.000 -4.909) 5.610 4.974 ( -2.119 0.000 -0.676) 2.224 5.047 ( 5.870 0.000 -9.139) 10.861 5.086 ( -9.470 0.000 8.513) 12.733 5.129 ( 1.477 0.000 -0.181) 1.488 5.169 ( -4.046 0.000 -0.442) 4.070 5.351 ( -0.289 0.000 3.420) 3.433 5.367 ( -1.762 0.000 2.106) 2.746 5.583 ( 1.683 0.000 6.219) 6.442 5.634 ( -1.300 0.000 0.298) 1.334 5.807 ( 0.204 0.000 3.346) 3.352 5.931 ( -2.143 0.000 -14.623) 14.779 6.090 ( 5.696 0.000 -2.320) 6.151 6.170 ( -5.656 0.000 1.080) 5.758 6.179 ( 3.955 0.000 2.473) 4.664 6.253 ( -1.027 0.000 -4.040) 4.169 6.591 ( 4.364 0.000 6.004) 7.423 6.641 ( 5.831 0.000 -1.896) 6.132 6.714 ( -5.215 0.000 4.107) 6.638 6.735 ( -3.329 0.000 -5.901) 6.775 7.065 ( 1.770 0.000 -2.396) 2.978 7.074 ( -1.584 0.000 1.618) 2.265 7.366 ( 1.756 0.000 0.712) 1.895 7.409 ( -3.765 0.000 1.119) 3.928 7.923 ( 3.402 0.000 9.953) 10.518 8.057 ( 1.801 0.000 10.508) 10.661 8.111 ( 0.516 0.000 -15.356) 15.364 8.245 ( -7.734 0.000 -3.938) 8.679 8.248 ( -2.921 0.000 7.961) 8.480 8.277 ( 2.262 0.000 -6.612) 6.988 8.825 ( 5.100 0.000 11.108) 12.223 8.977 ( -1.479 0.000 -5.421) 5.619 9.611 ( 8.255 0.000 -7.909) 11.433 9.637 ( -4.549 0.000 8.516) 9.655 9.784 ( 0.613 0.000 -3.305) 3.361 9.800 ( -1.860 0.000 0.467) 1.918 10.096 ( -3.542 0.000 5.017) 6.142 10.107 ( 3.527 0.000 -7.666) 8.438 10.811 ( -0.618 0.000 3.769) 3.819 10.842 ( 1.010 0.000 -5.005) 5.106 11.058 ( 2.282 0.000 6.342) 6.741 11.192 ( -3.448 0.000 -8.720) 9.377 21.409 ( -2.109 0.000 4.369) 4.851 21.441 ( 0.755 0.000 -6.060) 6.107 21.605 ( -1.593 0.000 2.472) 2.941 21.607 ( 1.507 0.000 -2.509) 2.926 22.681 ( 1.472 0.000 1.029) 1.796 22.720 ( -2.165 0.000 -0.603) 2.247 22.883 ( -0.035 0.000 0.715) 0.716 22.889 ( 0.016 0.000 -0.580) 0.581 23.490 ( 2.391 0.000 -2.353) 3.355 23.501 ( -1.940 0.000 2.183) 2.920 23.982 ( -0.359 0.000 4.107) 4.123 24.012 ( 1.459 0.000 -3.904) 4.168 26.841 ( -2.756 0.000 3.439) 4.407 26.844 ( 1.249 0.000 -3.105) 3.346 26.933 ( 2.334 0.000 -0.505) 2.388 26.979 ( -3.062 0.000 -0.384) 3.085 29.595 ( 2.192 0.000 0.198) 2.201 29.637 ( -2.804 0.000 -0.050) 2.805 29.912 ( 5.327 0.000 1.124) 5.445 30.031 ( -7.354 0.000 -1.259) 7.461 31.933 ( 0.885 0.000 0.070) 0.888 31.948 ( -0.582 0.000 -0.440) 0.730 32.426 ( 1.099 0.000 1.528) 1.882 32.464 ( -1.553 0.000 -1.239) 1.987 33.546 ( 0.394 0.000 0.646) 0.756 33.565 ( -1.049 0.000 -0.427) 1.132 33.815 ( -0.013 0.000 2.569) 2.569 33.838 ( 0.788 0.000 -2.747) 2.857 35.351 ( 1.790 0.000 -0.130) 1.794 35.379 ( -1.545 0.000 -0.008) 1.546 35.409 ( 1.482 0.000 -1.547) 2.143 35.419 ( -2.015 0.000 1.563) 2.550 89.254 ( 3.228 0.000 -3.852) 5.026 89.256 ( -2.275 0.000 3.943) 4.553 89.538 ( 5.830 0.000 8.737) 10.504 89.725 ( -6.537 0.000 -6.443) 9.178 92.325 ( 0.598 0.000 5.218) 5.252 92.381 ( 1.221 0.000 -4.999) 5.146 92.518 ( -1.492 0.000 3.577) 3.876 92.582 ( -2.828 0.000 -7.686) 8.190 97.839 ( 1.313 0.000 0.452) 1.388 97.864 ( -1.210 0.000 -0.348) 1.259 98.072 ( 3.165 0.000 8.677) 9.237 98.210 ( -2.305 0.000 -8.320) 8.634 103.700 ( 1.035 0.000 0.247) 1.064 103.722 ( -1.167 0.000 -0.471) 1.258 103.788 ( 0.550 0.000 0.701) 0.891 103.802 ( -0.417 0.000 -0.271) 0.497 ======================= Grid point 199 (98/112) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 5.496 3.852 -18.297) 19.489 1.206 ( -5.496 3.852 18.297) 19.489 1.252 ( 0.506 -1.685 -19.657) 19.735 1.252 ( -0.506 -1.685 19.657) 19.735 1.916 ( -1.299 -0.254 -4.373) 4.569 1.916 ( 1.299 -0.254 4.373) 4.569 2.146 ( -0.348 -5.270 -3.490) 6.331 2.146 ( 0.348 -5.270 3.490) 6.331 2.247 ( 0.598 1.493 -6.181) 6.387 2.247 ( -0.598 1.493 6.181) 6.387 2.535 ( -1.819 0.004 -3.656) 4.083 2.535 ( 1.819 0.004 3.656) 4.083 2.622 ( -2.192 -1.201 -7.829) 8.218 2.622 ( 2.192 -1.201 7.829) 8.218 2.821 ( 0.837 3.354 -4.394) 5.591 2.821 ( -0.837 3.354 4.394) 5.591 2.958 ( 0.929 2.280 -2.924) 3.822 2.958 ( -0.929 2.280 2.924) 3.822 3.049 ( 2.153 0.043 -4.691) 5.162 3.049 ( -2.153 0.043 4.691) 5.162 3.275 ( -2.643 -1.147 -7.145) 7.704 3.275 ( 2.643 -1.147 7.145) 7.704 3.439 ( 0.680 -1.222 -4.911) 5.106 3.439 ( -0.680 -1.222 4.911) 5.106 4.330 ( -2.102 3.760 -1.410) 4.533 4.330 ( 2.102 3.760 1.410) 4.533 4.655 ( -1.812 -1.350 -3.687) 4.324 4.655 ( 1.812 -1.350 3.687) 4.324 4.858 ( 1.134 -2.150 -5.930) 6.409 4.858 ( -1.134 -2.150 5.930) 6.409 5.097 ( -7.213 -5.621 -0.334) 9.151 5.097 ( 7.213 -5.621 0.334) 9.151 5.279 ( 9.677 -0.382 -3.355) 10.249 5.279 ( -9.677 -0.382 3.355) 10.249 5.358 ( -1.770 -0.473 -1.618) 2.444 5.358 ( 1.770 -0.473 1.618) 2.444 5.445 ( 2.222 -2.856 -1.785) 4.035 5.445 ( -2.222 -2.856 1.785) 4.035 5.557 ( 2.825 -0.594 -4.824) 5.622 5.557 ( -2.825 -0.594 4.824) 5.622 5.728 ( -0.619 1.701 -1.912) 2.632 5.728 ( 0.619 1.701 1.912) 2.632 6.045 ( -4.098 -4.616 -2.780) 6.769 6.045 ( 4.098 -4.616 2.780) 6.769 6.337 ( 1.880 0.116 -2.213) 2.906 6.337 ( -1.880 0.116 2.213) 2.906 6.475 ( -3.131 2.166 -4.211) 5.677 6.475 ( 3.131 2.166 4.211) 5.677 6.613 ( -4.749 0.973 -5.418) 7.270 6.613 ( 4.749 0.973 5.418) 7.270 6.934 ( -3.067 6.267 -13.207) 14.937 6.934 ( 3.067 6.267 13.207) 14.937 7.345 ( 1.301 3.208 -1.747) 3.877 7.345 ( -1.301 3.208 1.747) 3.877 7.857 ( -7.969 -6.038 -1.825) 10.163 7.857 ( 7.969 -6.038 1.825) 10.163 8.230 ( -7.367 6.667 -0.705) 9.961 8.230 ( 7.367 6.667 0.705) 9.961 8.445 ( -5.385 2.593 -4.675) 7.588 8.445 ( 5.385 2.593 4.675) 7.588 8.957 ( 1.547 -1.292 -11.508) 11.683 8.957 ( -1.547 -1.292 11.508) 11.683 9.340 ( 6.538 -3.873 -5.967) 9.662 9.340 ( -6.538 -3.873 5.967) 9.662 10.163 ( -8.677 -0.992 -0.839) 8.774 10.163 ( 8.677 -0.992 0.839) 8.774 10.239 ( 0.500 1.601 -5.146) 5.412 10.239 ( -0.500 1.601 5.146) 5.412 10.524 ( -3.447 -1.381 -0.234) 3.721 10.524 ( 3.447 -1.381 0.234) 3.721 11.189 ( -1.193 0.107 -0.838) 1.462 11.189 ( 1.193 0.107 0.838) 1.462 21.542 ( -3.155 -1.227 0.459) 3.416 21.542 ( 3.155 -1.227 -0.459) 3.416 21.619 ( 1.553 -2.710 -1.402) 3.424 21.619 ( -1.553 -2.710 1.402) 3.424 22.731 ( -1.748 1.075 -0.665) 2.157 22.731 ( 1.748 1.075 0.665) 2.157 22.880 ( -0.891 -0.202 -0.603) 1.095 22.880 ( 0.891 -0.202 0.603) 1.095 23.499 ( 1.618 2.366 -3.339) 4.400 23.499 ( -1.618 2.366 3.339) 4.400 23.912 ( 2.665 -1.431 -1.917) 3.581 23.912 ( -2.665 -1.431 1.917) 3.581 26.889 ( 2.225 -2.059 -2.005) 3.635 26.889 ( -2.225 -2.059 2.005) 3.635 27.017 ( -1.182 1.364 -1.988) 2.685 27.017 ( 1.182 1.364 1.988) 2.685 29.755 ( -1.814 0.861 -2.550) 3.246 29.755 ( 1.814 0.861 2.550) 3.246 30.086 ( -2.566 -2.796 -7.722) 8.604 30.086 ( 2.566 -2.796 7.722) 8.604 31.979 ( -0.610 3.987 -0.554) 4.071 31.979 ( 0.610 3.987 0.554) 4.071 32.458 ( -1.635 -3.319 -1.771) 4.102 32.458 ( 1.635 -3.319 1.771) 4.102 33.554 ( 0.280 1.127 -0.649) 1.330 33.554 ( -0.280 1.127 0.649) 1.330 33.756 ( 2.063 -1.500 -0.771) 2.664 33.756 ( -2.063 -1.500 0.771) 2.664 35.347 ( 0.218 0.760 -2.112) 2.255 35.347 ( -0.218 0.760 2.112) 2.255 35.445 ( -0.758 0.739 -2.046) 2.304 35.445 ( 0.758 0.739 2.046) 2.304 89.133 ( 3.233 0.156 -3.669) 4.893 89.133 ( -3.233 0.156 3.669) 4.893 89.314 ( 1.213 -2.377 -1.423) 3.024 89.314 ( -1.213 -2.377 1.423) 3.024 92.299 ( -2.331 1.815 0.418) 2.984 92.299 ( 2.331 1.815 -0.418) 2.984 92.759 ( -6.024 -3.120 -2.558) 7.250 92.759 ( 6.024 -3.120 2.558) 7.250 97.876 ( -0.676 1.749 -1.762) 2.573 97.876 ( 0.676 1.749 1.762) 2.573 98.241 ( -6.492 -4.710 -1.953) 8.255 98.241 ( 6.492 -4.710 1.953) 8.255 103.708 ( -0.529 0.391 -1.348) 1.500 103.708 ( 0.529 0.391 1.348) 1.500 103.811 ( -0.425 1.887 -0.309) 1.959 103.811 ( 0.425 1.887 0.309) 1.959 ======================= Grid point 201 (99/112) ======================= q-point: ( 0.11 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -1.895 2.110 -18.873) 19.084 1.122 ( 6.033 2.621 -17.216) 18.430 1.322 ( -3.137 1.583 15.242) 15.642 1.472 ( 1.789 -0.151 14.989) 15.096 1.823 ( -3.788 -3.228 -3.931) 6.342 1.944 ( -1.054 -0.257 0.447) 1.173 2.086 ( -3.019 -4.262 -0.689) 5.269 2.161 ( 3.508 -0.767 -9.133) 9.813 2.200 ( -0.069 -3.407 -1.941) 3.921 2.296 ( 4.604 1.742 -3.539) 6.063 2.434 ( -6.209 0.167 -0.084) 6.212 2.478 ( 0.542 6.202 -12.550) 14.009 2.583 ( -4.177 -2.574 3.753) 6.177 2.713 ( 1.820 -1.886 2.077) 3.344 2.829 ( 0.327 3.312 0.496) 3.365 2.882 ( -4.884 0.822 -2.066) 5.366 2.899 ( -0.367 1.384 1.006) 1.750 2.979 ( 2.432 1.984 10.024) 10.504 3.027 ( -1.140 -0.208 -0.003) 1.159 3.103 ( 3.176 -1.937 0.716) 3.789 3.187 ( -1.276 -0.467 -2.184) 2.572 3.387 ( 0.904 -2.035 -3.811) 4.414 3.413 ( 2.611 -1.257 8.036) 8.542 3.482 ( 0.533 0.242 1.903) 1.991 4.266 ( -2.551 3.624 -2.660) 5.169 4.381 ( 3.056 3.159 0.408) 4.414 4.609 ( -1.181 -3.068 -0.373) 3.308 4.726 ( 1.740 -1.490 1.764) 2.891 4.816 ( -1.573 -3.283 1.513) 3.943 4.909 ( 1.176 -1.585 0.044) 1.974 4.960 ( -7.407 -2.536 -1.060) 7.900 5.083 ( -10.977 -0.063 -0.216) 10.979 5.186 ( -1.811 -6.626 1.729) 7.083 5.294 ( -3.168 0.799 -0.244) 3.276 5.312 ( -1.827 1.112 -8.147) 8.423 5.335 ( -5.118 -0.003 2.559) 5.722 5.396 ( -1.084 -2.667 1.012) 3.051 5.459 ( 3.561 -2.741 -3.435) 5.656 5.541 ( -1.079 -0.093 -0.297) 1.123 5.577 ( -0.952 0.426 5.477) 5.575 5.762 ( 3.262 -1.006 -1.435) 3.703 5.808 ( 1.755 0.176 2.690) 3.217 5.990 ( 0.741 -7.181 -0.328) 7.226 6.121 ( 3.150 -0.954 0.808) 3.389 6.304 ( -1.261 1.841 0.267) 2.247 6.389 ( -1.688 0.109 -3.637) 4.012 6.422 ( 4.689 -2.486 -3.844) 6.553 6.498 ( 0.146 -2.569 1.755) 3.114 6.599 ( 3.473 8.801 3.294) 10.018 6.775 ( 4.543 0.508 9.982) 10.979 6.803 ( 0.889 5.731 -6.147) 8.451 7.149 ( 3.700 5.989 13.982) 15.655 7.326 ( -0.555 1.189 -0.456) 1.389 7.375 ( 2.997 6.456 -0.467) 7.133 7.661 ( -11.889 -7.772 0.284) 14.206 8.013 ( 8.098 -1.176 -4.653) 9.414 8.120 ( -5.501 4.422 4.964) 8.629 8.316 ( -6.049 4.814 -0.370) 7.740 8.365 ( 6.815 5.164 1.331) 8.654 8.574 ( 1.511 -0.602 5.654) 5.883 8.804 ( -2.681 -1.088 -12.223) 12.561 8.981 ( -6.715 0.589 5.291) 8.569 9.319 ( -1.121 -3.783 2.998) 4.956 9.404 ( 9.300 -3.996 -6.978) 12.294 9.978 ( -10.251 0.277 1.614) 10.381 10.187 ( -3.025 2.896 2.346) 4.800 10.198 ( -1.857 2.284 -2.665) 3.971 10.292 ( 1.463 3.978 -7.083) 8.254 10.573 ( 5.462 -6.497 3.526) 9.191 10.630 ( 9.924 -4.238 -0.611) 10.808 11.123 ( -4.297 0.308 -0.695) 4.364 11.240 ( 4.230 -1.474 -1.693) 4.788 21.490 ( -3.895 -0.496 0.868) 4.021 21.574 ( 1.768 -1.558 -0.910) 2.526 21.599 ( -1.836 -2.095 1.253) 3.055 21.633 ( 0.644 -3.547 -1.291) 3.829 22.697 ( -1.899 1.509 -0.075) 2.427 22.762 ( 0.737 0.204 0.952) 1.221 22.859 ( -0.564 0.087 -0.618) 0.841 22.896 ( 0.464 -0.280 0.340) 0.640 23.494 ( 1.843 2.467 -2.722) 4.110 23.514 ( -0.843 2.550 2.820) 3.894 23.890 ( -2.029 -1.317 2.158) 3.242 23.947 ( 3.557 -1.654 -2.008) 4.407 26.865 ( -2.690 -1.945 1.250) 3.546 26.891 ( 0.274 -2.524 -1.541) 2.969 26.987 ( -0.474 1.747 -0.951) 2.045 27.057 ( 0.661 1.049 2.134) 2.468 29.678 ( -3.116 0.187 -3.860) 4.965 29.785 ( -0.797 1.981 1.483) 2.600 29.952 ( -3.493 -2.228 -6.960) 8.100 30.181 ( -0.698 -2.919 6.597) 7.247 31.964 ( -0.397 3.721 -0.631) 3.795 31.994 ( 0.653 4.095 0.205) 4.151 32.409 ( -1.953 -3.068 -1.489) 3.930 32.490 ( 0.300 -3.483 1.085) 3.660 33.551 ( -0.534 0.788 1.104) 1.458 33.572 ( 1.074 1.371 0.496) 1.811 33.735 ( -1.125 -1.453 0.833) 2.018 33.788 ( 2.904 -1.854 -1.381) 3.711 35.329 ( 0.234 0.650 -1.632) 1.773 35.366 ( -0.157 0.449 1.606) 1.675 35.418 ( -0.364 0.563 -1.035) 1.234 35.480 ( 0.136 1.029 2.648) 2.844 89.134 ( -0.701 -0.353 3.477) 3.565 89.173 ( 3.852 0.790 -0.858) 4.025 89.250 ( -4.118 -1.450 3.546) 5.625 89.477 ( 12.305 -5.500 0.728) 13.498 92.272 ( -1.770 2.393 1.203) 3.211 92.340 ( 3.174 1.162 -0.838) 3.482 92.649 ( -5.144 -1.176 -1.047) 5.379 92.875 ( 3.237 -6.199 3.251) 7.712 97.849 ( -0.366 0.983 -1.606) 1.918 97.903 ( 0.400 2.373 1.345) 2.756 98.066 ( -9.358 -3.285 -3.988) 10.690 98.333 ( 3.909 -4.258 -1.427) 5.954 103.689 ( -0.281 0.393 -0.882) 1.006 103.733 ( 0.478 0.031 1.585) 1.656 103.798 ( -0.839 2.156 -0.068) 2.315 103.821 ( 0.302 1.856 0.261) 1.899 ======================= Grid point 202 (100/112) ======================= q-point: ( 0.22 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 7.247 3.836 -12.731) 15.144 1.060 ( 8.489 2.559 -15.068) 17.483 1.422 ( -4.288 0.713 11.959) 12.724 1.588 ( -1.973 -1.213 6.367) 6.775 1.753 ( -3.724 -4.475 3.707) 6.902 1.896 ( -3.727 0.171 -1.725) 4.110 2.049 ( -3.179 -0.932 2.365) 4.070 2.132 ( 5.530 -1.352 -11.221) 12.583 2.141 ( -0.252 -0.215 -5.001) 5.012 2.307 ( 1.545 -1.543 -5.413) 5.837 2.361 ( -2.358 -0.219 0.288) 2.385 2.374 ( 2.546 7.330 -10.580) 13.121 2.510 ( -7.321 -1.211 0.814) 7.465 2.712 ( -2.807 0.563 -0.122) 2.866 2.736 ( -6.864 1.440 -1.114) 7.101 2.814 ( -1.599 0.761 -3.065) 3.540 2.934 ( 3.294 -2.315 -0.475) 4.054 3.018 ( 0.695 -2.893 0.584) 3.032 3.098 ( 0.311 -1.982 -2.394) 3.123 3.182 ( 4.087 1.119 11.421) 12.182 3.234 ( 3.825 -2.966 2.787) 5.585 3.389 ( 2.150 -0.092 0.247) 2.166 3.462 ( -0.156 -0.060 -1.374) 1.384 3.559 ( 1.346 -0.122 8.010) 8.123 4.211 ( -1.383 3.069 -0.887) 3.481 4.442 ( 3.963 0.733 0.493) 4.061 4.602 ( 0.263 -2.861 0.227) 2.882 4.705 ( -5.879 -4.854 -8.219) 11.210 4.763 ( -1.973 -1.759 2.014) 3.323 4.863 ( -4.532 0.210 2.247) 5.063 4.937 ( 3.555 1.185 -1.068) 3.897 4.972 ( -8.888 -1.218 9.675) 13.194 5.138 ( -4.075 -4.670 -1.257) 6.324 5.186 ( -1.150 -0.463 -5.981) 6.108 5.259 ( -4.935 0.857 2.067) 5.418 5.271 ( -7.546 0.399 5.412) 9.295 5.368 ( -4.397 0.203 0.807) 4.476 5.471 ( 1.770 -2.661 -2.982) 4.371 5.555 ( -1.088 3.598 1.590) 4.081 5.567 ( -0.311 0.243 0.732) 0.832 5.780 ( -1.363 -2.608 0.657) 3.015 5.842 ( 3.345 -7.105 1.582) 8.011 6.023 ( 1.714 -4.727 0.010) 5.029 6.179 ( 2.706 -2.052 -3.014) 4.541 6.272 ( -1.573 -0.835 -2.625) 3.172 6.342 ( 1.213 1.844 -3.094) 3.801 6.375 ( 1.712 -1.902 -6.373) 6.867 6.632 ( 4.550 -0.900 6.735) 8.178 6.671 ( 2.427 9.205 1.829) 9.694 6.808 ( 2.899 7.066 1.079) 7.713 6.969 ( 4.470 0.705 8.925) 10.007 7.238 ( -1.523 6.473 -3.069) 7.324 7.318 ( 0.295 -0.528 -0.018) 0.605 7.481 ( -0.134 6.474 9.491) 11.490 7.542 ( -1.509 -7.306 6.078) 9.623 7.996 ( -0.549 6.007 -1.956) 6.341 8.165 ( 0.031 -2.354 2.165) 3.198 8.275 ( 0.615 7.399 2.927) 7.981 8.455 ( -4.764 -4.205 -2.377) 6.784 8.521 ( 2.257 2.611 -1.481) 3.756 8.720 ( -7.533 4.152 4.323) 9.627 8.916 ( 0.979 1.395 -2.438) 2.975 9.362 ( 2.011 -5.044 2.930) 6.170 9.486 ( 9.627 -3.528 -6.114) 11.938 9.891 ( -3.828 3.145 2.181) 5.413 10.087 ( -6.725 3.045 -3.781) 8.295 10.157 ( -3.021 2.812 1.277) 4.320 10.238 ( 3.202 5.079 -8.721) 10.588 10.663 ( 3.217 -3.778 1.926) 5.322 10.771 ( 6.067 -8.717 -0.951) 10.663 11.040 ( -4.257 -0.696 -1.563) 4.588 11.277 ( 2.994 -5.084 -3.612) 6.918 21.443 ( -3.569 0.191 1.817) 4.009 21.569 ( -1.239 -2.744 -1.910) 3.566 21.591 ( 0.391 -1.500 -0.633) 1.675 21.607 ( -0.803 -1.983 -1.704) 2.735 22.672 ( -1.311 1.415 0.354) 1.961 22.767 ( -0.926 -0.629 0.337) 1.170 22.857 ( 0.415 -0.018 0.184) 0.454 22.903 ( -0.135 -0.085 0.373) 0.405 23.499 ( 2.144 2.784 -2.249) 4.172 23.530 ( -0.688 2.907 2.359) 3.806 23.895 ( -0.790 -1.413 2.867) 3.293 23.978 ( 3.360 -1.884 -2.627) 4.663 26.836 ( -2.224 -2.071 0.992) 3.196 26.869 ( -1.168 -2.631 -0.875) 3.009 26.972 ( -0.529 1.974 -0.742) 2.174 27.072 ( -1.079 0.998 0.981) 1.767 29.596 ( -1.130 0.411 -3.698) 3.888 29.768 ( -2.694 2.855 0.957) 4.040 29.848 ( -1.489 -1.869 -4.287) 4.909 30.197 ( -4.466 -2.866 3.857) 6.560 31.955 ( 0.057 3.415 -0.472) 3.448 32.002 ( 0.363 3.990 -0.238) 4.014 32.373 ( -1.082 -2.913 -0.312) 3.123 32.490 ( -1.033 -3.409 0.105) 3.563 33.554 ( -0.753 0.977 1.288) 1.784 33.591 ( 0.476 1.177 0.464) 1.352 33.740 ( 0.162 -1.641 1.426) 2.180 33.814 ( 2.510 -2.169 -2.013) 3.880 35.321 ( 0.618 0.350 -1.078) 1.291 35.371 ( -0.371 -0.692 0.174) 0.805 35.414 ( 0.226 1.160 0.388) 1.244 35.495 ( -1.542 1.350 2.002) 2.865 89.176 ( 1.859 -1.147 1.879) 2.882 89.227 ( 0.790 0.726 1.754) 2.056 89.256 ( 1.591 -0.429 3.521) 3.888 89.672 ( 7.573 -9.039 2.974) 12.161 92.271 ( -0.783 2.654 2.346) 3.628 92.377 ( 3.082 0.664 -1.808) 3.634 92.572 ( -3.737 -0.337 -0.064) 3.753 92.883 ( -4.160 -7.091 -1.820) 8.420 97.831 ( -0.182 0.559 -1.286) 1.414 97.901 ( -1.951 0.202 -1.260) 2.332 97.931 ( -1.367 1.650 -0.146) 2.148 98.342 ( 0.706 -3.497 -3.516) 5.009 103.681 ( 0.116 0.283 -0.427) 0.525 103.749 ( -0.249 -0.991 0.682) 1.228 103.788 ( -0.533 2.858 0.641) 2.977 103.826 ( -0.055 1.694 0.311) 1.723 ======================= Grid point 203 (101/112) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 14.241 1.983 -0.116) 14.378 1.084 ( 12.172 0.529 -10.584) 16.139 1.396 ( -8.074 -4.952 3.774) 10.196 1.628 ( -2.759 3.777 8.780) 9.948 1.732 ( -5.654 -0.214 3.955) 6.904 1.820 ( -2.859 -0.154 -4.057) 4.965 1.949 ( -3.903 0.650 -2.728) 4.806 2.111 ( 2.802 1.843 -7.801) 8.491 2.147 ( -0.218 -1.049 -0.415) 1.149 2.219 ( -2.268 3.643 -4.635) 6.316 2.321 ( -1.023 -1.600 -3.288) 3.797 2.352 ( 0.322 -1.459 0.055) 1.495 2.435 ( 2.296 0.065 -3.120) 3.875 2.633 ( -5.330 -1.854 0.220) 5.648 2.666 ( -3.245 0.608 1.365) 3.572 2.752 ( -0.841 0.544 -4.857) 4.959 2.950 ( 3.387 -2.847 -4.630) 6.404 3.058 ( 1.531 -5.024 1.323) 5.416 3.110 ( 2.154 -3.401 0.350) 4.041 3.274 ( -3.588 0.028 2.315) 4.270 3.318 ( 3.598 -1.829 3.240) 5.176 3.457 ( 0.374 1.332 1.160) 1.805 3.472 ( 6.833 0.910 1.260) 7.007 3.641 ( -1.279 -0.156 6.599) 6.723 4.209 ( 0.162 2.685 2.047) 3.380 4.499 ( -5.299 0.441 -6.995) 8.786 4.519 ( 3.521 -1.902 -0.337) 4.016 4.616 ( 0.748 -1.839 0.371) 2.019 4.763 ( -0.696 -2.019 2.794) 3.517 4.872 ( -3.413 -0.567 7.500) 8.259 4.916 ( -2.651 -2.157 0.603) 3.471 4.974 ( -0.083 -1.960 -1.202) 2.301 5.070 ( -2.894 -1.753 -0.037) 3.384 5.127 ( -0.974 -4.043 -5.012) 6.513 5.169 ( -5.361 -0.374 -1.102) 5.485 5.198 ( -7.817 0.189 4.149) 8.851 5.327 ( -2.445 2.582 4.522) 5.752 5.472 ( -0.822 0.882 1.578) 1.986 5.540 ( -1.020 6.402 4.421) 7.846 5.631 ( 1.972 0.230 2.397) 3.113 5.745 ( -1.934 -4.488 0.030) 4.887 5.952 ( 4.667 -9.047 4.315) 11.057 6.027 ( 2.466 -3.504 -4.984) 6.572 6.116 ( -1.569 -1.004 -8.035) 8.248 6.205 ( -3.378 -3.466 -1.639) 5.110 6.267 ( -0.468 -3.244 -8.201) 8.832 6.444 ( 6.080 2.865 1.347) 6.854 6.720 ( 0.522 2.602 1.076) 2.863 6.734 ( 0.546 7.300 5.308) 9.042 6.866 ( 1.958 5.871 0.381) 6.201 7.083 ( 1.597 2.221 3.661) 4.570 7.159 ( -0.287 5.440 -4.793) 7.256 7.322 ( 0.886 -0.255 -0.338) 0.982 7.464 ( -6.679 0.092 5.657) 8.753 7.749 ( 6.441 -0.233 12.733) 14.271 7.996 ( 3.376 5.493 -2.923) 7.079 8.159 ( -5.051 -3.644 4.038) 7.422 8.275 ( -3.163 -2.511 -8.509) 9.419 8.342 ( 2.998 7.515 1.377) 8.208 8.563 ( -11.748 6.933 0.573) 13.653 8.661 ( 5.260 4.135 8.206) 10.588 8.966 ( 3.764 -0.828 -0.374) 3.872 9.434 ( 2.530 -6.147 3.482) 7.505 9.566 ( 7.352 -4.086 -5.498) 10.049 9.870 ( -0.882 4.443 -0.575) 4.566 9.949 ( -5.299 5.944 -1.866) 8.179 10.126 ( -2.122 2.268 1.223) 3.338 10.198 ( 2.402 4.358 -7.393) 8.911 10.732 ( 1.826 -3.352 3.132) 4.937 10.806 ( 1.945 -6.901 -3.058) 7.795 10.970 ( -2.615 -3.050 0.060) 4.018 11.235 ( -0.603 -7.292 -7.866) 10.742 21.417 ( -2.844 0.572 2.887) 4.093 21.502 ( -0.626 -1.110 -5.903) 6.039 21.587 ( -1.137 -1.656 1.380) 2.437 21.595 ( 0.915 -1.374 -1.778) 2.427 22.666 ( -0.123 0.931 0.799) 1.234 22.746 ( -1.535 -0.770 -0.304) 1.744 22.868 ( 0.432 -0.378 0.424) 0.714 22.900 ( -0.617 0.001 0.218) 0.655 23.512 ( 2.187 3.128 -1.853) 4.243 23.540 ( -0.958 3.245 1.866) 3.864 23.923 ( -0.095 -1.697 3.482) 3.875 23.995 ( 2.535 -2.091 -3.166) 4.563 26.819 ( -1.693 -2.080 1.583) 3.115 26.840 ( -0.834 -2.334 -1.304) 2.801 26.956 ( -0.219 2.345 -0.619) 2.435 27.045 ( -2.392 1.035 -0.391) 2.635 29.575 ( 1.546 0.702 -1.215) 2.088 29.723 ( -3.748 3.307 0.407) 5.015 29.823 ( 2.124 -2.364 -1.068) 3.352 30.126 ( -7.026 -2.718 0.710) 7.567 31.956 ( 0.513 3.229 -0.064) 3.270 31.999 ( -0.127 3.728 -0.634) 3.784 32.370 ( 0.110 -2.918 1.026) 3.096 32.465 ( -1.524 -3.253 -0.713) 3.663 33.556 ( -0.509 1.377 1.055) 1.808 33.594 ( -0.322 1.167 -0.241) 1.234 33.766 ( 0.458 -1.802 2.073) 2.785 33.823 ( 1.695 -2.162 -2.511) 3.722 35.325 ( 0.903 -0.125 -0.470) 1.026 35.363 ( -0.279 -1.342 -0.453) 1.443 35.425 ( 0.219 1.508 0.737) 1.693 35.478 ( -2.025 1.854 0.576) 2.805 89.220 ( 2.424 -0.985 -0.252) 2.629 89.244 ( -0.297 -0.295 1.680) 1.731 89.363 ( 4.059 -0.142 6.440) 7.613 89.742 ( -0.211 -8.687 -1.241) 8.778 92.297 ( -0.001 2.442 3.666) 4.405 92.398 ( 2.615 0.532 -2.994) 4.011 92.526 ( -2.689 -0.193 1.071) 2.901 92.731 ( -6.181 -3.587 -7.945) 10.687 97.825 ( 0.854 0.702 0.026) 1.105 97.895 ( 0.018 0.771 0.502) 0.920 97.948 ( 1.485 0.819 3.579) 3.961 98.286 ( -1.330 -2.933 -5.637) 6.493 103.684 ( 0.549 0.110 -0.008) 0.560 103.739 ( -0.951 -0.727 -0.370) 1.253 103.795 ( 0.010 2.177 1.081) 2.430 103.826 ( -0.350 1.381 0.111) 1.429 ======================= Grid point 204 (102/112) ======================= q-point: ( 0.44 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 10.893 -4.079 -3.161) 12.053 1.260 ( 7.189 -4.552 2.104) 8.765 1.302 ( -0.841 -0.590 3.645) 3.787 1.559 ( -12.246 -1.016 -5.496) 13.461 1.698 ( -2.437 7.050 9.881) 12.380 1.754 ( 0.177 5.876 -2.671) 6.458 1.946 ( 2.361 -0.599 -1.671) 2.954 2.006 ( -4.657 1.401 -4.913) 6.913 2.097 ( 2.289 3.406 -2.038) 4.582 2.163 ( -4.138 2.947 -1.234) 5.228 2.335 ( 0.331 -4.772 3.966) 6.214 2.359 ( 0.969 -3.448 -1.470) 3.871 2.483 ( 6.104 -0.380 -2.208) 6.502 2.560 ( -4.574 -2.360 0.195) 5.150 2.647 ( -1.373 -0.273 2.767) 3.100 2.686 ( -0.968 -0.180 -4.342) 4.452 2.983 ( 7.000 -4.402 -4.463) 9.396 3.053 ( -4.663 -6.470 2.121) 8.252 3.157 ( 2.364 -2.240 0.957) 3.395 3.209 ( -3.871 -0.810 -0.236) 3.962 3.407 ( 4.829 0.140 0.364) 4.845 3.462 ( -2.568 1.261 1.694) 3.325 3.590 ( 6.820 1.048 -1.151) 6.995 3.653 ( -4.547 0.556 4.240) 6.242 4.255 ( 1.718 2.587 3.790) 4.900 4.348 ( -3.927 2.321 -5.317) 7.005 4.591 ( 3.626 -2.208 0.132) 4.248 4.624 ( -0.655 -1.656 0.375) 1.820 4.808 ( 2.860 -1.893 1.552) 3.764 4.859 ( -7.453 -0.397 8.078) 10.998 4.914 ( 2.079 -3.236 -2.425) 4.547 4.940 ( -0.748 -3.188 -3.337) 4.676 5.034 ( 0.715 -1.703 -2.339) 2.981 5.053 ( -2.314 -2.715 -0.940) 3.690 5.107 ( -0.858 -3.475 -0.444) 3.607 5.131 ( -4.349 0.102 1.423) 4.577 5.383 ( 1.993 3.943 4.512) 6.315 5.451 ( -2.925 4.547 0.044) 5.407 5.599 ( 0.558 1.230 4.582) 4.777 5.640 ( -0.740 0.459 -1.589) 1.812 5.778 ( 0.839 -1.426 8.635) 8.792 5.925 ( -1.507 -0.816 -12.867) 12.980 6.061 ( 2.311 -3.672 -0.010) 4.339 6.076 ( 4.015 -5.973 0.909) 7.254 6.136 ( -3.472 -4.015 -0.182) 5.311 6.175 ( -2.121 -6.372 -4.623) 8.153 6.559 ( 5.690 1.695 2.375) 6.395 6.672 ( -4.661 0.464 -2.269) 5.205 6.804 ( 2.573 8.411 2.944) 9.275 6.864 ( -1.598 7.141 -1.097) 7.399 7.120 ( 0.077 4.115 1.634) 4.428 7.133 ( 0.605 5.816 -1.967) 6.169 7.352 ( 3.599 -0.532 -0.811) 3.728 7.409 ( -5.559 -0.055 2.741) 6.198 7.976 ( 5.673 -0.967 10.842) 12.275 8.029 ( 4.146 3.042 -1.923) 5.491 8.085 ( -5.890 -4.783 1.440) 7.723 8.163 ( -2.514 2.130 -9.148) 9.723 8.386 ( 2.260 8.373 -0.376) 8.681 8.429 ( -5.668 8.784 1.789) 10.606 8.841 ( 4.912 1.702 8.617) 10.063 8.967 ( -1.342 -0.682 -4.112) 4.379 9.513 ( 1.813 -6.356 4.417) 7.949 9.577 ( 1.418 -5.724 -5.788) 8.263 9.854 ( 2.415 5.688 -2.551) 6.686 9.887 ( -3.872 6.452 1.902) 7.761 10.125 ( -1.073 2.975 3.350) 4.607 10.157 ( 1.321 3.977 -5.684) 7.062 10.775 ( -0.579 -3.224 2.841) 4.336 10.792 ( 1.059 -4.679 -3.292) 5.818 10.989 ( 1.298 -6.067 5.894) 8.558 11.110 ( -2.432 -7.212 -9.351) 12.057 21.415 ( -2.016 0.646 4.113) 4.626 21.443 ( 0.950 0.249 -5.458) 5.545 21.587 ( -1.190 -1.641 1.943) 2.807 21.590 ( 1.096 -1.525 -2.054) 2.783 22.683 ( 0.958 0.304 1.041) 1.447 22.715 ( -1.531 -0.347 -0.830) 1.776 22.879 ( 0.462 -0.397 0.305) 0.681 22.890 ( -0.642 -0.181 -0.094) 0.674 23.528 ( 1.963 3.362 -1.590) 4.205 23.539 ( -1.486 3.414 1.571) 4.041 23.961 ( -0.278 -2.003 3.743) 4.254 23.989 ( 1.273 -2.155 -3.585) 4.372 26.814 ( -1.421 -1.877 2.148) 3.187 26.820 ( 0.577 -1.881 -1.969) 2.784 26.961 ( 1.227 1.951 0.138) 2.309 26.997 ( -2.460 1.303 -0.796) 2.895 29.608 ( 2.829 1.319 0.334) 3.139 29.664 ( -3.541 2.415 -0.281) 4.296 29.886 ( 5.345 -2.418 1.072) 5.964 30.004 ( -7.291 -2.531 -1.211) 7.812 31.969 ( 0.713 3.251 0.432) 3.356 31.986 ( -0.562 3.445 -0.730) 3.566 32.394 ( 0.961 -3.030 1.607) 3.562 32.430 ( -1.411 -3.142 -1.349) 3.699 33.563 ( 0.124 1.552 1.015) 1.859 33.580 ( -0.527 1.430 -0.861) 1.751 33.794 ( -0.038 -1.920 2.484) 3.140 33.815 ( 0.841 -2.031 -2.653) 3.446 35.338 ( 0.870 -0.751 0.075) 1.152 35.352 ( -0.525 -1.309 -0.427) 1.474 35.436 ( 0.463 1.787 0.466) 1.904 35.453 ( -1.247 2.031 -0.133) 2.387 89.247 ( 1.422 -0.561 -0.623) 1.650 89.253 ( -0.453 -0.344 0.923) 1.084 89.511 ( 4.565 -2.231 7.742) 9.261 89.660 ( -3.965 -5.415 -6.205) 9.141 92.346 ( 0.212 1.771 4.847) 5.165 92.392 ( 1.319 0.918 -4.411) 4.695 92.514 ( -1.284 -0.330 3.237) 3.498 92.573 ( -2.414 -0.827 -6.843) 7.303 97.850 ( 1.471 1.075 0.717) 1.958 97.881 ( -1.262 1.517 -0.592) 2.060 98.054 ( 3.106 -1.516 7.530) 8.285 98.184 ( -2.551 -2.411 -7.400) 8.190 103.697 ( 0.894 -0.100 0.320) 0.955 103.718 ( -1.053 -0.349 -0.485) 1.211 103.807 ( 0.271 1.521 0.705) 1.698 103.818 ( -0.413 1.267 -0.282) 1.362 ======================= Grid point 209 (103/112) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -2.194 3.619 -14.456) 15.063 1.272 ( 2.194 3.619 14.456) 15.063 1.327 ( 4.918 7.655 -13.974) 16.675 1.327 ( -4.918 7.655 13.974) 16.675 1.817 ( -1.235 -8.888 -2.924) 9.438 1.817 ( 1.235 -8.888 2.924) 9.438 1.987 ( 0.254 -8.190 -2.713) 8.631 1.987 ( -0.254 -8.190 2.713) 8.631 2.326 ( -1.893 4.897 -4.064) 6.640 2.326 ( 1.893 4.897 4.064) 6.640 2.538 ( 1.318 -0.150 -6.410) 6.546 2.538 ( -1.318 -0.150 6.410) 6.546 2.613 ( 1.058 -0.334 -4.724) 4.852 2.613 ( -1.058 -0.334 4.724) 4.852 2.848 ( 0.692 -0.322 -2.553) 2.665 2.848 ( -0.692 -0.322 2.553) 2.665 3.037 ( 1.220 4.864 -4.283) 6.595 3.037 ( -1.220 4.864 4.283) 6.595 3.081 ( 2.754 3.588 -8.538) 9.662 3.081 ( -2.754 3.588 8.538) 9.662 3.233 ( -4.292 -3.066 -4.694) 7.061 3.233 ( 4.292 -3.066 4.694) 7.061 3.384 ( -0.746 -4.069 -5.065) 6.540 3.384 ( 0.746 -4.069 5.065) 6.540 4.430 ( -1.795 4.965 -1.392) 5.460 4.430 ( 1.795 4.965 1.392) 5.460 4.642 ( -2.711 0.386 -4.397) 5.180 4.642 ( 2.711 0.386 4.397) 5.180 4.800 ( -2.125 -2.963 -2.403) 4.366 4.800 ( 2.125 -2.963 2.403) 4.366 4.956 ( -4.257 -6.356 -0.170) 7.652 4.956 ( 4.257 -6.356 0.170) 7.652 5.279 ( -5.392 -0.570 0.994) 5.513 5.279 ( 5.392 -0.570 -0.994) 5.513 5.344 ( 1.133 -0.223 -2.929) 3.148 5.344 ( -1.133 -0.223 2.929) 3.148 5.389 ( -0.653 -1.939 -0.335) 2.073 5.389 ( 0.653 -1.939 0.335) 2.073 5.539 ( 0.314 -1.132 -2.597) 2.850 5.539 ( -0.314 -1.132 2.597) 2.850 5.781 ( -5.201 3.164 -1.863) 6.367 5.781 ( 5.201 3.164 1.863) 6.367 5.964 ( -7.228 -3.261 -3.557) 8.691 5.964 ( 7.228 -3.261 3.557) 8.691 6.332 ( 1.377 0.351 -2.988) 3.309 6.332 ( -1.377 0.351 2.988) 3.309 6.481 ( -0.397 -1.407 -1.590) 2.160 6.481 ( 0.397 -1.407 1.590) 2.160 6.668 ( -2.303 3.199 0.331) 3.956 6.668 ( 2.303 3.199 -0.331) 3.956 7.054 ( -3.002 4.321 -10.360) 11.620 7.054 ( 3.002 4.321 10.360) 11.620 7.410 ( -4.342 2.286 -0.602) 4.943 7.410 ( 4.342 2.286 0.602) 4.943 7.755 ( -9.534 -3.227 -1.908) 10.245 7.755 ( 9.534 -3.227 1.908) 10.245 8.356 ( -7.318 5.444 -4.940) 10.373 8.356 ( 7.318 5.444 4.940) 10.373 8.500 ( -0.705 1.232 -6.427) 6.582 8.500 ( 0.705 1.232 6.427) 6.582 8.935 ( -1.726 -0.273 -6.585) 6.813 8.935 ( 1.726 -0.273 6.585) 6.813 9.264 ( 2.123 -2.951 -1.532) 3.945 9.264 ( -2.123 -2.951 1.532) 3.945 10.107 ( -6.306 -3.457 -1.443) 7.335 10.107 ( 6.306 -3.457 1.443) 7.335 10.265 ( 1.260 0.701 -1.269) 1.921 10.265 ( -1.260 0.701 1.269) 1.921 10.527 ( -2.916 1.276 -0.770) 3.274 10.527 ( 2.916 1.276 0.770) 3.274 11.183 ( -1.178 -0.526 -0.617) 1.430 11.183 ( 1.178 -0.526 0.617) 1.430 21.518 ( 2.880 -0.673 -1.569) 3.348 21.518 ( -2.880 -0.673 1.569) 3.348 21.562 ( 1.969 -2.426 -2.302) 3.881 21.562 ( -1.969 -2.426 2.302) 3.881 22.752 ( -0.940 0.796 -0.240) 1.255 22.752 ( 0.940 0.796 0.240) 1.255 22.875 ( -0.464 -0.230 -0.459) 0.692 22.875 ( 0.464 -0.230 0.459) 0.692 23.557 ( 0.876 2.716 -2.030) 3.502 23.557 ( -0.876 2.716 2.030) 3.502 23.874 ( 1.477 -1.882 -1.491) 2.819 23.874 ( -1.477 -1.882 1.491) 2.819 26.853 ( 1.088 -1.174 -1.002) 1.888 26.853 ( -1.088 -1.174 1.002) 1.888 27.038 ( -0.825 0.617 -0.944) 1.397 27.038 ( 0.825 0.617 0.944) 1.397 29.787 ( -1.672 2.007 -3.945) 4.731 29.787 ( 1.672 2.007 3.945) 4.731 30.013 ( -2.052 -3.660 -6.617) 7.835 30.013 ( 2.052 -3.660 6.617) 7.835 32.090 ( -1.029 6.236 -0.620) 6.351 32.090 ( 1.029 6.236 0.620) 6.351 32.362 ( -1.449 -5.627 -1.409) 5.979 32.362 ( 1.449 -5.627 1.409) 5.979 33.586 ( -0.161 1.743 -0.578) 1.843 33.586 ( 0.161 1.743 0.578) 1.843 33.717 ( 0.346 -1.947 -0.235) 1.992 33.717 ( -0.346 -1.947 0.235) 1.992 35.366 ( -0.001 0.929 -1.351) 1.639 35.366 ( 0.001 0.929 1.351) 1.639 35.456 ( -0.988 0.215 -1.333) 1.673 35.456 ( 0.988 0.215 1.333) 1.673 89.145 ( 2.684 1.072 -3.746) 4.731 89.145 ( -2.684 1.072 3.746) 4.731 89.255 ( 3.600 -2.915 -3.274) 5.672 89.255 ( -3.600 -2.915 3.274) 5.672 92.344 ( 0.159 2.079 -0.315) 2.109 92.344 ( -0.159 2.079 0.315) 2.109 92.688 ( -3.178 -3.095 -1.085) 4.567 92.688 ( 3.178 -3.095 1.085) 4.567 97.929 ( -1.552 3.188 -2.441) 4.304 97.929 ( 1.552 3.188 2.441) 4.304 98.128 ( -4.801 -5.473 -3.495) 8.076 98.128 ( 4.801 -5.473 3.495) 8.076 103.716 ( -0.333 0.337 -0.787) 0.919 103.716 ( 0.333 0.337 0.787) 0.919 103.850 ( 0.116 1.428 -0.378) 1.482 103.850 ( -0.116 1.428 0.378) 1.482 ======================= Grid point 211 (104/112) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.214 7.488 -12.971) 15.140 1.260 ( 5.385 9.990 -13.820) 17.882 1.406 ( -1.069 5.857 11.589) 13.029 1.453 ( 3.291 -2.676 4.941) 6.512 1.702 ( -8.189 -6.355 1.821) 10.525 1.847 ( 0.304 -8.889 -0.346) 8.901 1.974 ( -1.557 -5.829 3.180) 6.820 2.027 ( 1.036 -8.819 0.712) 8.908 2.238 ( 0.717 4.963 -7.937) 9.389 2.362 ( 0.355 3.741 -1.271) 3.967 2.467 ( -3.598 1.667 -0.871) 4.060 2.534 ( -2.851 -0.992 -0.431) 3.049 2.588 ( 0.970 0.089 -4.151) 4.264 2.655 ( 0.036 -1.140 0.190) 1.156 2.879 ( 2.371 0.838 1.134) 2.759 2.886 ( -0.292 0.021 0.927) 0.972 2.929 ( -6.114 3.117 -3.841) 7.865 3.032 ( 1.239 -0.042 -3.987) 4.176 3.049 ( 1.282 2.597 1.719) 3.367 3.085 ( -4.590 1.135 1.003) 4.834 3.171 ( -0.267 -0.116 0.047) 0.295 3.340 ( -0.593 -2.879 3.887) 4.874 3.375 ( 6.260 -1.864 0.338) 6.541 3.454 ( 0.828 -2.770 5.426) 6.148 4.369 ( -2.323 5.517 -3.539) 6.954 4.455 ( 0.874 3.353 -0.907) 3.582 4.561 ( -1.407 -1.230 -2.780) 3.349 4.668 ( -1.155 -4.150 -3.485) 5.541 4.761 ( -2.122 -0.770 2.810) 3.605 4.856 ( 1.507 -3.310 -0.138) 3.640 4.901 ( -3.517 -1.933 4.321) 5.897 5.014 ( 1.852 -6.641 0.214) 6.897 5.133 ( -11.337 2.376 2.709) 11.895 5.281 ( -4.446 -2.533 -2.924) 5.894 5.323 ( -0.816 -0.358 -2.674) 2.818 5.333 ( -4.176 0.268 2.099) 4.681 5.371 ( 3.833 -0.762 -0.685) 3.968 5.401 ( 3.958 -1.696 -3.695) 5.674 5.541 ( -2.063 -0.232 1.350) 2.476 5.554 ( -2.412 -0.926 2.914) 3.894 5.757 ( 0.433 0.150 2.472) 2.514 5.839 ( -3.836 -3.155 -0.154) 4.969 5.881 ( 4.119 3.321 -1.717) 5.562 6.091 ( 5.338 -2.458 0.663) 5.914 6.297 ( -4.824 -2.085 -3.257) 6.183 6.331 ( 2.291 -3.689 -3.244) 5.421 6.447 ( -1.483 2.477 -0.531) 2.935 6.471 ( 2.951 0.317 3.636) 4.694 6.744 ( 3.442 4.252 4.020) 6.789 6.787 ( 5.190 0.829 9.633) 10.974 6.969 ( 1.369 9.338 -2.677) 9.810 7.240 ( 4.265 1.317 10.301) 11.226 7.346 ( -2.232 0.924 -0.163) 2.421 7.442 ( -2.438 -3.571 0.044) 4.324 7.640 ( -1.417 8.004 0.376) 8.137 7.946 ( 10.982 -4.282 0.399) 11.794 8.173 ( -8.333 2.162 -3.659) 9.355 8.389 ( -2.680 -2.593 -8.018) 8.843 8.494 ( 3.513 6.109 4.248) 8.228 8.561 ( -2.936 1.659 6.458) 7.286 8.838 ( -1.181 4.370 -3.843) 5.939 8.984 ( -3.093 -0.484 3.953) 5.043 9.254 ( 0.561 -2.147 -0.114) 2.222 9.307 ( 5.976 -4.428 -3.351) 8.158 9.991 ( -5.585 1.647 1.999) 6.156 10.228 ( -3.027 -1.571 1.129) 3.592 10.253 ( 3.940 0.832 -2.662) 4.828 10.278 ( 3.297 -3.535 0.383) 4.849 10.483 ( 0.499 1.871 -2.168) 2.907 10.582 ( 4.457 -1.703 -1.685) 5.060 11.126 ( -3.708 0.232 -2.035) 4.236 11.194 ( 0.832 -2.642 -2.318) 3.612 21.485 ( -3.240 0.236 1.668) 3.652 21.536 ( 0.788 -1.581 -1.195) 2.132 21.552 ( -0.460 -2.111 0.379) 2.193 21.568 ( 1.335 -2.425 -1.988) 3.408 22.729 ( -1.677 1.415 0.139) 2.199 22.763 ( -0.023 -0.153 0.133) 0.204 22.863 ( -0.368 0.311 -0.287) 0.561 22.886 ( 0.226 -0.636 0.507) 0.844 23.555 ( 1.029 3.011 -0.932) 3.316 23.575 ( 0.477 2.699 1.454) 3.103 23.858 ( -1.316 -1.358 1.281) 2.284 23.900 ( 2.485 -2.583 -1.243) 3.794 26.833 ( -2.135 -1.020 0.347) 2.391 26.844 ( -0.516 -1.636 -1.347) 2.181 27.024 ( -0.319 1.596 -0.031) 1.628 27.066 ( 0.748 -0.195 1.303) 1.515 29.700 ( -2.478 1.982 -4.989) 5.912 29.813 ( -0.893 -0.762 -1.337) 1.780 29.922 ( -2.569 0.942 -1.754) 3.251 30.098 ( -0.717 -4.769 6.175) 7.835 32.066 ( -1.017 5.743 -0.563) 5.860 32.109 ( 0.653 6.481 0.275) 6.519 32.319 ( -1.785 -5.259 -1.174) 5.676 32.390 ( 0.470 -5.843 0.716) 5.906 33.578 ( -0.514 1.769 0.831) 2.021 33.609 ( 1.464 1.847 0.386) 2.388 33.698 ( -1.123 -1.800 0.387) 2.156 33.741 ( 2.227 -2.448 -1.245) 3.536 35.347 ( -0.526 0.982 -0.937) 1.455 35.373 ( -0.643 0.066 0.344) 0.732 35.439 ( -0.078 1.338 0.027) 1.341 35.488 ( 0.569 -0.358 1.882) 1.999 89.134 ( -0.671 0.571 2.000) 2.185 89.194 ( 2.472 0.166 1.061) 2.695 89.216 ( -1.101 -0.423 1.677) 2.050 89.356 ( 9.076 -5.334 -1.855) 10.690 92.330 ( -1.219 2.727 1.259) 3.242 92.368 ( 1.773 1.128 -0.330) 2.127 92.626 ( -2.901 -0.537 -1.055) 3.133 92.740 ( 1.843 -5.898 0.163) 6.182 97.879 ( -1.245 1.827 -2.275) 3.172 97.963 ( -1.105 1.487 -0.433) 1.903 98.006 ( -3.436 -0.434 -1.965) 3.982 98.218 ( 2.968 -6.176 0.894) 6.910 103.703 ( -0.390 0.772 -0.536) 1.018 103.728 ( 0.032 -0.373 0.676) 0.773 103.844 ( -0.699 1.752 0.645) 1.994 103.855 ( -0.061 1.183 0.509) 1.289 ======================= Grid point 212 (105/112) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 2.618 8.547 -6.498) 11.052 1.200 ( 6.206 10.916 -13.750) 18.621 1.407 ( -7.949 -6.777 0.884) 10.483 1.552 ( 5.065 2.626 5.315) 7.797 1.680 ( -3.133 -3.173 8.153) 9.293 1.834 ( -0.750 -6.250 -1.210) 6.410 1.999 ( -1.596 -3.658 5.066) 6.449 2.029 ( 0.546 -6.346 -1.897) 6.645 2.192 ( 2.405 5.045 -5.689) 7.975 2.330 ( -2.257 2.646 -0.323) 3.493 2.394 ( -4.607 2.478 -0.014) 5.231 2.470 ( -4.358 -0.462 -1.383) 4.596 2.524 ( 0.036 3.307 -9.070) 9.654 2.639 ( -0.895 -5.965 0.001) 6.032 2.753 ( -9.239 0.646 -2.679) 9.641 2.789 ( -6.196 -1.965 -2.065) 6.820 2.941 ( 3.619 -0.719 -4.789) 6.046 2.973 ( -0.307 -0.890 -8.232) 8.286 3.053 ( 1.470 0.492 0.867) 1.777 3.188 ( 3.891 -1.602 3.256) 5.321 3.207 ( 5.801 1.709 4.515) 7.547 3.376 ( -1.447 -2.920 4.520) 5.573 3.455 ( 2.887 1.059 1.922) 3.626 3.546 ( 1.413 -1.350 7.088) 7.352 4.301 ( -1.428 5.224 -2.214) 5.851 4.452 ( 1.328 0.463 -1.641) 2.161 4.537 ( 0.221 -3.590 -0.737) 3.672 4.593 ( -2.449 -5.141 -4.280) 7.124 4.745 ( -2.314 0.550 2.297) 3.307 4.842 ( -1.679 -2.142 0.122) 2.724 4.929 ( -1.981 -0.974 5.130) 5.584 5.002 ( -8.219 2.133 2.339) 8.808 5.015 ( -0.145 -3.731 -1.700) 4.102 5.173 ( -4.675 -2.141 -3.477) 6.207 5.279 ( -3.231 0.709 0.200) 3.313 5.281 ( -4.184 0.022 0.029) 4.184 5.397 ( -0.479 2.080 0.163) 2.140 5.437 ( 1.987 0.467 0.922) 2.240 5.515 ( 0.687 -2.436 1.786) 3.098 5.582 ( 1.553 -4.150 2.343) 5.012 5.755 ( -1.797 0.688 2.423) 3.094 5.778 ( -6.570 1.128 1.474) 6.827 5.927 ( 4.154 -2.324 -1.497) 4.990 6.141 ( 0.797 -6.203 -2.787) 6.847 6.180 ( -4.237 -0.459 -1.793) 4.624 6.302 ( 0.516 -3.526 -6.753) 7.635 6.464 ( 3.908 5.496 0.071) 6.744 6.619 ( 6.472 -1.301 4.814) 8.170 6.831 ( 1.316 6.688 6.510) 9.426 6.964 ( 1.133 4.449 5.653) 7.282 7.018 ( 5.079 5.579 5.222) 9.176 7.271 ( -2.963 -3.163 -4.117) 5.978 7.379 ( 1.058 3.602 4.071) 5.538 7.433 ( -0.126 -1.844 4.418) 4.789 7.678 ( 2.636 11.138 2.859) 11.797 8.035 ( -0.315 0.454 -4.259) 4.295 8.095 ( 3.062 -4.647 0.970) 5.649 8.257 ( -0.751 -8.792 -9.350) 12.856 8.526 ( -5.822 9.313 8.457) 13.862 8.629 ( 2.771 4.774 7.162) 9.042 8.805 ( -3.589 4.698 0.339) 5.922 8.948 ( -1.255 1.012 -0.915) 1.854 9.278 ( 1.897 -2.603 0.757) 3.308 9.378 ( 7.430 -5.908 -4.173) 10.370 9.968 ( -0.756 4.918 2.365) 5.509 10.170 ( -4.917 3.447 0.414) 6.019 10.220 ( -2.901 2.319 -0.349) 3.731 10.316 ( 3.900 -0.278 -6.994) 8.013 10.520 ( 3.030 -5.579 2.306) 6.754 10.632 ( 4.678 -4.579 -2.910) 7.164 11.025 ( -4.859 -0.135 -3.569) 6.031 11.157 ( -0.166 -5.760 -5.815) 8.187 21.455 ( -2.975 0.982 2.110) 3.777 21.520 ( -0.453 -1.586 -1.731) 2.391 21.549 ( -0.099 -2.142 -0.519) 2.207 21.564 ( 1.077 -1.952 -2.152) 3.099 22.705 ( -1.527 1.607 0.336) 2.242 22.754 ( -0.868 -0.665 -0.340) 1.145 22.859 ( -0.006 0.345 0.044) 0.348 22.892 ( -0.308 -0.854 0.656) 1.120 23.569 ( 1.511 3.488 -0.396) 3.822 23.600 ( 0.761 3.100 1.244) 3.426 23.860 ( -0.506 -1.441 1.755) 2.326 23.923 ( 2.329 -3.152 -1.776) 4.302 26.802 ( -1.979 -1.082 0.428) 2.296 26.817 ( -1.114 -1.910 -0.910) 2.391 27.018 ( -0.534 2.145 -0.059) 2.211 27.078 ( -0.619 -0.422 0.458) 0.878 29.622 ( -0.712 2.128 -3.733) 4.355 29.762 ( -0.555 -3.440 -3.290) 4.792 29.879 ( -3.591 4.891 1.192) 6.183 30.112 ( -4.213 -5.019 3.643) 7.497 32.049 ( -0.511 5.347 -0.150) 5.374 32.115 ( 0.043 6.349 -0.279) 6.356 32.288 ( -1.055 -5.014 -0.160) 5.126 32.391 ( -0.657 -5.778 -0.133) 5.816 33.584 ( -0.357 1.913 1.393) 2.393 33.632 ( 1.112 2.466 -0.353) 2.728 33.695 ( -0.115 -2.472 1.099) 2.708 33.759 ( 2.095 -2.864 -1.851) 4.002 35.332 ( -0.271 0.672 -0.567) 0.921 35.359 ( -0.921 -0.506 -0.197) 1.069 35.447 ( 0.352 1.833 0.716) 2.000 35.507 ( -0.621 -0.352 1.428) 1.597 89.161 ( 1.210 -0.087 1.881) 2.238 89.210 ( -0.953 -1.728 2.722) 3.362 89.280 ( 4.760 2.382 1.032) 5.422 89.483 ( 7.862 -7.951 -1.349) 11.263 92.333 ( -0.711 2.886 2.184) 3.689 92.390 ( 1.576 0.319 -0.519) 1.689 92.573 ( -2.206 0.840 -1.167) 2.633 92.732 ( -1.412 -6.529 -2.758) 7.227 97.847 ( -0.353 0.912 -1.308) 1.634 97.888 ( -1.678 -0.937 -1.757) 2.604 98.003 ( -0.151 4.599 0.651) 4.647 98.241 ( 0.327 -5.761 -1.505) 5.963 103.694 ( -0.194 0.855 -0.199) 0.899 103.730 ( -0.346 -0.839 0.268) 0.946 103.841 ( -0.817 1.861 0.910) 2.226 103.857 ( -0.552 1.001 0.594) 1.289 ======================= Grid point 213 (106/112) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 5.160 4.152 2.562) 7.101 1.182 ( 8.585 8.427 -11.600) 16.712 1.298 ( -6.705 -4.499 3.363) 8.747 1.664 ( 0.891 -2.872 -3.164) 4.365 1.708 ( -0.522 -0.175 7.991) 8.010 1.814 ( -0.140 -0.719 0.116) 0.741 1.958 ( -3.207 0.378 -0.516) 3.270 2.064 ( 0.127 -4.756 3.007) 5.628 2.191 ( 1.358 4.844 -0.284) 5.039 2.291 ( -3.435 2.596 0.622) 4.351 2.315 ( -6.053 -0.099 -0.634) 6.087 2.369 ( -3.715 3.016 -3.145) 5.726 2.447 ( 4.148 1.714 -8.196) 9.345 2.597 ( -6.312 -1.494 -1.865) 6.750 2.620 ( -2.213 -5.383 0.726) 5.865 2.699 ( -2.088 -4.801 -3.107) 6.088 2.884 ( -0.240 -2.694 -4.823) 5.530 2.931 ( 1.941 -5.843 -5.506) 8.260 3.086 ( 2.379 1.294 -1.187) 2.957 3.236 ( -1.995 -2.724 0.522) 3.416 3.328 ( 5.771 2.021 1.492) 6.294 3.455 ( 5.319 -1.527 4.772) 7.307 3.515 ( 0.499 3.005 3.497) 4.638 3.626 ( -0.603 -1.427 6.092) 6.286 4.287 ( 0.382 4.708 1.094) 4.849 4.475 ( 3.120 -2.120 -0.892) 3.876 4.499 ( -2.503 -0.672 -4.256) 4.982 4.553 ( 0.634 -4.225 1.114) 4.415 4.748 ( -1.083 1.008 3.387) 3.696 4.832 ( -0.868 -2.170 1.621) 2.844 4.909 ( -7.780 0.217 5.996) 9.825 4.921 ( -0.544 -2.260 -4.150) 4.757 4.985 ( -0.869 -3.303 -2.098) 4.008 5.069 ( -3.646 -2.409 -2.814) 5.197 5.177 ( -5.441 1.153 -3.656) 6.656 5.221 ( -4.910 0.550 0.240) 4.946 5.405 ( 0.591 4.760 3.416) 5.889 5.481 ( 0.407 0.801 3.845) 3.948 5.581 ( 1.367 -2.553 4.049) 4.978 5.655 ( 2.381 -2.526 4.448) 5.642 5.695 ( -3.386 1.364 0.141) 3.654 5.793 ( 0.768 -3.443 5.797) 6.786 5.955 ( 3.000 -1.910 -3.892) 5.272 6.090 ( -2.908 -5.708 -0.260) 6.411 6.100 ( -2.549 -0.399 -5.172) 5.779 6.200 ( -2.789 -3.139 -8.839) 9.786 6.547 ( 5.048 5.530 0.743) 7.524 6.719 ( 1.535 -1.593 0.939) 2.403 6.910 ( -1.072 7.567 5.808) 9.599 6.991 ( 0.514 4.669 -0.260) 4.704 7.140 ( 3.755 2.942 1.640) 5.045 7.233 ( 0.845 0.384 2.843) 2.990 7.389 ( -0.820 5.700 -1.294) 5.902 7.457 ( -2.988 -0.250 2.810) 4.109 7.785 ( 4.809 3.418 5.272) 7.912 8.005 ( 0.861 -3.740 -2.402) 4.527 8.119 ( 1.683 -0.142 -3.728) 4.093 8.205 ( 2.078 -3.888 -1.740) 4.739 8.546 ( -2.751 9.618 7.014) 12.217 8.687 ( -9.495 3.710 3.131) 10.664 8.779 ( 5.310 6.772 4.462) 9.693 8.954 ( 1.391 -0.217 0.140) 1.415 9.325 ( 1.648 -3.813 2.424) 4.809 9.438 ( 5.829 -7.133 -5.386) 10.671 9.988 ( 0.699 6.911 -0.117) 6.947 10.096 ( -4.177 7.171 0.255) 8.303 10.180 ( -2.104 1.660 1.573) 3.108 10.287 ( 2.352 2.756 -6.970) 7.856 10.600 ( 2.131 -7.959 4.419) 9.349 10.665 ( 2.993 -5.365 -1.991) 6.458 10.907 ( -4.506 -1.982 -3.598) 6.098 11.063 ( -1.293 -8.113 -9.343) 12.442 21.437 ( -2.399 1.389 2.719) 3.883 21.488 ( 0.266 -0.178 -3.750) 3.764 21.542 ( -0.914 -2.333 0.969) 2.686 21.557 ( 1.056 -2.012 -2.297) 3.230 22.692 ( -0.679 1.385 0.588) 1.651 22.733 ( -0.936 -0.506 -0.643) 1.243 22.862 ( 0.177 -0.072 0.142) 0.238 22.889 ( -0.807 -0.909 0.473) 1.304 23.592 ( 1.577 4.044 -0.073) 4.341 23.622 ( 0.377 3.818 0.792) 3.917 23.878 ( -0.032 -2.165 2.261) 3.131 23.934 ( 1.686 -3.502 -2.290) 4.512 26.783 ( -1.293 -1.165 0.985) 2.000 26.794 ( -0.650 -1.717 -0.627) 1.940 27.005 ( -0.668 2.126 -0.300) 2.249 27.056 ( -1.747 -0.092 -0.635) 1.861 29.606 ( 1.982 2.376 -1.158) 3.303 29.751 ( 2.089 -3.491 -0.741) 4.135 29.819 ( -4.618 4.864 0.108) 6.708 30.045 ( -6.631 -4.787 0.706) 8.209 32.048 ( 0.124 5.246 0.482) 5.270 32.105 ( -0.456 6.014 -0.850) 6.091 32.284 ( -0.039 -5.032 1.042) 5.139 32.370 ( -1.183 -5.585 -0.894) 5.779 33.594 ( -0.307 2.311 1.586) 2.819 33.635 ( 0.531 2.685 -1.333) 3.045 33.715 ( 0.307 -2.867 1.982) 3.499 33.767 ( 1.540 -3.052 -2.263) 4.100 35.326 ( 0.029 0.228 -0.202) 0.306 35.344 ( -0.592 -0.620 -0.279) 0.901 35.460 ( 0.285 1.689 0.631) 1.825 35.501 ( -1.196 0.239 0.482) 1.312 89.204 ( 1.752 -0.425 1.134) 2.130 89.229 ( 0.006 -1.074 1.840) 2.130 89.373 ( 3.989 1.330 3.006) 5.169 89.555 ( 3.623 -7.924 -2.770) 9.142 92.353 ( -0.308 2.560 3.087) 4.022 92.407 ( 1.421 0.101 -0.937) 1.705 92.530 ( -1.725 0.911 -0.832) 2.120 92.647 ( -2.933 -4.024 -5.427) 7.366 97.846 ( 1.066 1.180 0.434) 1.648 97.894 ( 1.560 -0.759 1.758) 2.470 97.997 ( -0.807 3.737 0.179) 3.828 98.201 ( -1.598 -4.913 -3.749) 6.383 103.693 ( 0.135 0.665 0.081) 0.684 103.723 ( -0.590 -0.724 -0.093) 0.939 103.838 ( -0.599 1.589 0.724) 1.846 103.851 ( -0.690 0.873 0.289) 1.150 ======================= Grid point 214 (107/112) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 4.067 1.452 1.776) 4.670 1.181 ( -0.730 -0.663 -1.829) 2.078 1.330 ( 6.234 1.550 3.961) 7.547 1.518 ( -7.769 -3.475 -7.413) 11.286 1.807 ( 1.123 2.429 5.962) 6.535 1.835 ( 0.956 1.766 0.780) 2.154 1.952 ( 1.116 1.596 1.605) 2.523 2.027 ( -3.595 -0.107 -3.754) 5.199 2.203 ( 0.580 6.021 -0.673) 6.086 2.229 ( -2.320 1.591 -1.287) 3.094 2.268 ( -1.234 -0.586 3.921) 4.152 2.304 ( -1.204 0.131 -2.299) 2.598 2.467 ( 2.927 -0.703 -0.850) 3.128 2.512 ( -1.983 -2.153 -2.343) 3.749 2.600 ( -1.631 -4.025 2.603) 5.063 2.635 ( -0.623 -4.543 -4.657) 6.536 2.867 ( 1.231 -5.376 0.040) 5.515 2.901 ( -0.011 -6.849 -3.266) 7.588 3.113 ( 2.967 -1.352 -1.070) 3.431 3.169 ( -4.762 -2.699 0.061) 5.474 3.446 ( 6.659 3.460 -0.208) 7.507 3.514 ( -3.853 3.403 3.237) 6.075 3.590 ( 6.625 -1.210 -0.979) 6.806 3.648 ( -3.883 -1.371 4.277) 5.937 4.331 ( 2.027 4.483 3.117) 5.824 4.410 ( -2.772 3.236 -3.924) 5.792 4.533 ( 3.575 -3.393 0.306) 4.938 4.569 ( -0.767 -3.668 0.683) 3.809 4.786 ( 0.991 0.232 3.956) 4.085 4.841 ( -0.339 -2.906 1.682) 3.375 4.855 ( -3.582 -0.231 -0.229) 3.597 4.867 ( -1.205 -2.757 -2.034) 3.632 4.961 ( -0.887 -3.532 1.249) 3.850 4.996 ( -0.405 -2.863 -5.247) 5.991 5.084 ( -0.101 0.785 -2.004) 2.154 5.132 ( -6.286 -0.368 0.926) 6.364 5.478 ( 2.944 4.512 2.787) 6.065 5.516 ( -1.011 1.757 2.271) 3.045 5.620 ( 1.346 -0.387 -0.077) 1.403 5.643 ( -2.670 0.823 1.121) 3.010 5.788 ( 2.465 1.318 9.508) 9.911 5.872 ( 1.403 -4.991 2.901) 5.941 5.937 ( 2.450 -2.359 -7.208) 7.970 6.025 ( -0.262 -1.950 -1.136) 2.272 6.032 ( -3.501 -5.015 -7.928) 10.013 6.053 ( -3.833 -4.030 -0.026) 5.562 6.631 ( 3.985 4.036 1.352) 5.830 6.701 ( -2.547 1.355 -1.392) 3.203 6.940 ( -0.068 4.134 3.222) 5.242 6.976 ( -0.154 2.849 -2.697) 3.927 7.224 ( 2.760 5.368 3.224) 6.843 7.269 ( 0.064 5.370 -0.449) 5.389 7.375 ( 1.347 2.853 -0.760) 3.245 7.412 ( -4.057 0.628 1.145) 4.262 7.903 ( 4.618 -3.220 1.379) 5.796 7.973 ( -2.831 -5.196 -0.984) 5.999 8.145 ( 3.607 4.801 1.852) 6.284 8.216 ( -0.161 1.403 -2.596) 2.955 8.564 ( -0.798 7.397 1.823) 7.660 8.590 ( -4.240 5.814 1.282) 7.310 8.905 ( 4.053 4.193 3.307) 6.704 8.964 ( -1.276 0.708 0.365) 1.504 9.381 ( 0.540 -5.603 4.732) 7.353 9.435 ( 1.951 -7.062 -6.462) 9.769 9.994 ( 1.532 7.263 -0.451) 7.437 10.036 ( -3.001 7.032 -0.841) 7.692 10.200 ( -0.563 3.261 5.067) 6.052 10.247 ( 1.148 3.600 -5.762) 6.891 10.666 ( 2.179 -6.020 1.163) 6.507 10.695 ( -0.228 -3.761 1.414) 4.024 10.839 ( -0.977 -6.901 2.367) 7.360 10.929 ( -1.823 -8.907 -9.730) 13.317 21.437 ( -1.710 1.421 3.389) 4.053 21.455 ( 1.000 0.967 -3.958) 4.196 21.542 ( -0.962 -2.364 1.784) 3.113 21.549 ( 0.952 -2.233 -2.189) 3.269 22.696 ( 0.192 0.800 0.799) 1.147 22.712 ( -0.696 0.069 -0.794) 1.058 22.868 ( 0.490 -0.493 0.066) 0.698 22.879 ( -0.836 -0.778 0.139) 1.150 23.615 ( 1.214 4.431 -0.040) 4.594 23.627 ( -0.457 4.379 0.303) 4.413 23.904 ( -0.088 -3.019 2.609) 3.992 23.927 ( 0.759 -3.502 -2.611) 4.434 26.780 ( -0.747 -1.220 1.226) 1.884 26.783 ( 0.223 -1.374 -0.854) 1.634 26.999 ( 0.235 1.508 0.114) 1.530 27.019 ( -1.544 0.611 -0.827) 1.855 29.653 ( 3.946 2.990 0.553) 4.981 29.733 ( -4.849 4.014 -0.574) 6.321 29.818 ( 5.152 -3.812 0.886) 6.470 29.930 ( -6.954 -4.307 -1.090) 8.252 32.062 ( 0.568 5.389 1.002) 5.511 32.084 ( -0.685 5.665 -1.147) 5.821 32.305 ( 0.728 -5.210 1.631) 5.508 32.338 ( -1.141 -5.401 -1.471) 5.713 33.608 ( -0.149 2.647 1.684) 3.140 33.624 ( 0.191 2.717 -1.670) 3.195 33.741 ( -0.069 -2.999 2.312) 3.787 33.760 ( 0.777 -3.074 -2.407) 3.981 35.328 ( 0.205 -0.214 0.068) 0.304 35.334 ( -0.332 -0.521 -0.225) 0.657 35.471 ( 0.458 1.364 0.396) 1.492 35.485 ( -0.920 0.902 -0.114) 1.294 89.235 ( 0.990 -0.425 0.420) 1.156 89.243 ( -0.074 -0.581 0.564) 0.814 89.467 ( 2.539 -1.413 4.536) 5.387 89.541 ( -0.197 -5.059 -4.459) 6.747 92.387 ( -0.244 1.790 3.638) 4.062 92.411 ( 1.099 0.731 -2.425) 2.761 92.510 ( -0.848 0.062 1.577) 1.792 92.550 ( -1.503 -1.335 -4.832) 5.233 97.882 ( 1.832 1.875 1.476) 3.009 97.921 ( -0.752 1.807 -0.552) 2.033 98.020 ( 1.957 -1.187 4.264) 4.840 98.116 ( -2.638 -3.726 -5.243) 6.952 103.699 ( 0.451 0.264 0.250) 0.579 103.711 ( -0.626 -0.257 -0.265) 0.726 103.838 ( -0.114 1.177 0.404) 1.250 103.843 ( -0.394 0.908 -0.078) 0.993 ======================= Grid point 219 (108/112) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 -0.000 -0.000) 0.000 1.500 ( -0.000 -0.000 0.000) 0.000 1.619 ( 0.000 0.000 -0.000) 0.000 1.619 ( -0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 2.402 ( -0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.508 ( -0.000 0.000 -0.000) 0.000 2.508 ( -0.000 0.000 0.000) 0.000 2.618 ( -0.000 0.000 -0.000) 0.000 2.618 ( -0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.840 ( -0.000 0.000 0.000) 0.000 3.117 ( -0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.158 ( -0.000 -0.000 -0.000) 0.000 3.158 ( -0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 -0.000) 0.000 3.168 ( -0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.310 ( -0.000 0.000 0.000) 0.000 4.493 ( -0.000 0.000 0.000) 0.000 4.493 ( -0.000 0.000 0.000) 0.000 4.657 ( -0.000 0.000 -0.000) 0.000 4.657 ( -0.000 0.000 0.000) 0.000 4.760 ( -0.000 0.000 0.000) 0.000 4.760 ( 0.000 -0.000 0.000) 0.000 4.879 ( -0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 -0.000) 0.000 5.263 ( -0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.347 ( -0.000 0.000 0.000) 0.000 5.369 ( -0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.523 ( -0.000 0.000 -0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.830 ( -0.000 0.000 -0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.918 ( -0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.344 ( -0.000 0.000 -0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.457 ( -0.000 0.000 -0.000) 0.000 6.457 ( -0.000 0.000 0.000) 0.000 6.707 ( -0.000 0.000 -0.000) 0.000 6.707 ( -0.000 0.000 0.000) 0.000 7.101 ( -0.000 0.000 -0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.724 ( -0.000 0.000 -0.000) 0.000 7.724 ( -0.000 0.000 0.000) 0.000 8.453 ( -0.000 -0.000 -0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.473 ( -0.000 0.000 -0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.940 ( -0.000 0.000 0.000) 0.000 8.940 ( -0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.229 ( -0.000 0.000 0.000) 0.000 10.063 ( -0.000 0.000 0.000) 0.000 10.063 ( -0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.272 ( -0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.545 ( -0.000 0.000 0.000) 0.000 11.176 ( 0.000 0.000 0.000) 0.000 11.176 ( -0.000 0.000 0.000) 0.000 21.520 ( -0.000 -0.000 0.000) 0.000 21.520 ( -0.000 0.000 0.000) 0.000 21.526 ( 0.000 0.000 -0.000) 0.000 21.526 ( -0.000 0.000 0.000) 0.000 22.761 ( -0.000 0.000 0.000) 0.000 22.761 ( 0.000 0.000 0.000) 0.000 22.872 ( 0.000 0.000 0.000) 0.000 22.872 ( -0.000 0.000 0.000) 0.000 23.591 ( -0.000 0.000 0.000) 0.000 23.591 ( -0.000 0.000 0.000) 0.000 23.850 ( -0.000 0.000 0.000) 0.000 23.850 ( 0.000 0.000 0.000) 0.000 26.841 ( -0.000 0.000 0.000) 0.000 26.841 ( -0.000 0.000 0.000) 0.000 27.044 ( -0.000 0.000 0.000) 0.000 27.044 ( -0.000 0.000 0.000) 0.000 29.818 ( -0.000 0.000 0.000) 0.000 29.818 ( 0.000 0.000 0.000) 0.000 29.964 ( -0.000 -0.000 -0.000) 0.000 29.964 ( 0.000 0.000 0.000) 0.000 32.217 ( -0.000 -0.000 0.000) 0.000 32.217 ( -0.000 0.000 0.000) 0.000 32.242 ( 0.000 -0.000 0.000) 0.000 32.242 ( -0.000 0.000 0.000) 0.000 33.611 ( -0.000 0.000 0.000) 0.000 33.611 ( 0.000 0.000 0.000) 0.000 33.690 ( 0.000 0.000 0.000) 0.000 33.690 ( -0.000 0.000 0.000) 0.000 35.378 ( -0.000 0.000 0.000) 0.000 35.378 ( -0.000 0.000 0.000) 0.000 35.457 ( 0.000 0.000 -0.000) 0.000 35.457 ( 0.000 0.000 0.000) 0.000 89.168 ( -0.000 0.000 0.000) 0.000 89.168 ( -0.000 0.000 0.000) 0.000 89.212 ( 0.000 -0.000 -0.000) 0.000 89.212 ( -0.000 0.000 0.000) 0.000 92.370 ( 0.000 0.000 0.000) 0.000 92.370 ( -0.000 0.000 0.000) 0.000 92.651 ( 0.000 0.000 0.000) 0.000 92.651 ( -0.000 0.000 0.000) 0.000 97.992 ( -0.000 0.000 -0.000) 0.000 97.992 ( 0.000 0.000 0.000) 0.000 98.040 ( -0.000 -0.000 -0.000) 0.000 98.040 ( 0.000 -0.000 0.000) 0.000 103.720 ( -0.000 0.000 0.000) 0.000 103.720 ( -0.000 0.000 0.000) 0.000 103.865 ( -0.000 0.000 0.000) 0.000 103.865 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 223 (109/112) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -1.567 -10.444 -6.102) 12.197 1.279 ( -1.567 10.444 -6.102) 12.197 1.499 ( 2.553 -7.093 -3.430) 8.282 1.499 ( 2.553 7.093 -3.430) 8.282 1.634 ( -0.730 -6.163 3.417) 7.084 1.634 ( -0.730 6.163 3.417) 7.084 1.908 ( -0.872 -1.181 4.810) 5.029 1.908 ( -0.872 1.181 4.810) 5.029 2.357 ( -1.622 -5.169 -2.568) 5.995 2.357 ( -1.622 5.169 -2.568) 5.995 2.487 ( -2.326 -2.137 -1.137) 3.357 2.487 ( -2.326 2.137 -1.137) 3.357 2.625 ( 0.253 -2.653 -1.508) 3.062 2.625 ( 0.253 2.653 -1.508) 3.062 2.879 ( -0.622 -0.160 1.169) 1.334 2.879 ( -0.622 0.160 1.169) 1.334 3.024 ( -4.494 -3.492 2.040) 6.046 3.024 ( -4.494 3.492 2.040) 6.046 3.066 ( -0.538 -2.475 -9.292) 9.631 3.066 ( -0.538 2.475 -9.292) 9.631 3.244 ( 2.994 -5.626 0.167) 6.375 3.244 ( 2.994 5.626 0.167) 6.375 3.386 ( 2.340 -2.878 7.475) 8.345 3.386 ( 2.340 2.878 7.475) 8.345 4.467 ( -1.402 -3.044 -2.348) 4.093 4.467 ( -1.402 3.044 -2.348) 4.093 4.581 ( -2.543 -3.429 -5.300) 6.805 4.581 ( -2.543 3.429 -5.300) 6.805 4.786 ( 0.082 -2.797 1.154) 3.026 4.786 ( 0.082 2.797 1.154) 3.027 4.909 ( 0.068 -2.887 4.343) 5.216 4.909 ( 0.068 2.887 4.343) 5.216 5.202 ( -6.853 -4.038 0.756) 7.990 5.202 ( -6.853 4.038 0.756) 7.990 5.326 ( 0.607 -0.751 -4.521) 4.623 5.326 ( 0.607 0.751 -4.521) 4.623 5.374 ( 0.943 -1.299 2.132) 2.669 5.374 ( 0.943 1.299 2.132) 2.669 5.544 ( -2.191 -0.757 1.460) 2.739 5.544 ( -2.191 0.757 1.460) 2.739 5.774 ( -0.842 -1.810 0.591) 2.081 5.774 ( -0.842 1.810 0.591) 2.081 6.002 ( 3.453 -5.860 -1.044) 6.882 6.002 ( 3.453 5.860 -1.044) 6.882 6.278 ( -2.674 -0.964 -3.200) 4.280 6.278 ( -2.674 0.964 -3.200) 4.280 6.478 ( 1.821 -0.358 2.153) 2.843 6.478 ( 1.821 0.358 2.153) 2.843 6.792 ( 4.236 -0.737 6.868) 8.103 6.792 ( 4.236 0.737 6.868) 8.103 7.164 ( 3.160 -8.000 3.203) 9.179 7.164 ( 3.160 8.000 3.203) 9.179 7.373 ( -3.715 -1.913 0.436) 4.202 7.373 ( -3.715 1.913 0.436) 4.202 7.824 ( 7.368 -7.627 2.835) 10.976 7.824 ( 7.368 7.627 2.835) 10.976 8.263 ( -7.063 -6.426 -10.112) 13.909 8.263 ( -7.063 6.426 -10.112) 13.909 8.581 ( 0.678 -1.604 6.973) 7.187 8.581 ( 0.678 1.604 6.973) 7.187 8.941 ( -0.964 -4.045 0.793) 4.234 8.941 ( -0.964 4.045 0.793) 4.234 9.242 ( 2.701 -1.364 -1.757) 3.499 9.242 ( 2.701 1.364 -1.757) 3.499 10.074 ( -0.461 -6.613 2.951) 7.256 10.074 ( -0.461 6.613 2.951) 7.256 10.276 ( 1.343 -0.657 -1.865) 2.391 10.276 ( 1.343 0.657 -1.865) 2.391 10.541 ( 1.326 -2.435 -2.481) 3.721 10.541 ( 1.326 2.435 -2.481) 3.721 11.145 ( -2.115 -1.747 -2.537) 3.737 11.145 ( -2.115 1.747 -2.537) 3.737 21.504 ( -2.511 -1.510 1.933) 3.510 21.504 ( -2.511 1.510 1.933) 3.510 21.534 ( 1.978 -0.685 -2.510) 3.268 21.534 ( 1.978 0.685 -2.510) 3.268 22.753 ( -0.881 -0.825 -0.049) 1.208 22.753 ( -0.881 0.825 -0.049) 1.208 22.873 ( -0.115 -0.589 0.221) 0.639 22.873 ( -0.115 0.589 0.221) 0.639 23.600 ( 0.903 -0.700 0.336) 1.191 23.600 ( 0.903 0.700 0.336) 1.191 23.854 ( 0.484 -1.247 -0.040) 1.338 23.854 ( 0.484 1.247 -0.040) 1.338 26.824 ( -1.454 -0.244 -0.546) 1.572 26.824 ( -1.454 0.244 -0.546) 1.572 27.052 ( 0.326 -1.043 0.617) 1.255 27.052 ( 0.326 1.043 0.617) 1.255 29.757 ( -2.017 -3.283 -5.178) 6.455 29.757 ( -2.017 3.283 -5.178) 6.455 29.994 ( -1.042 -4.788 4.441) 6.613 29.994 ( -1.042 4.788 4.441) 6.613 32.193 ( -1.374 -5.829 -0.784) 6.040 32.193 ( -1.374 5.829 -0.784) 6.040 32.255 ( 0.472 -6.486 0.408) 6.516 32.255 ( 0.472 6.486 0.408) 6.516 33.617 ( 0.125 -1.514 0.937) 1.785 33.617 ( 0.125 1.514 0.937) 1.785 33.692 ( 0.838 -1.743 -0.843) 2.109 33.692 ( 0.838 1.743 -0.843) 2.109 35.366 ( -0.944 -0.694 -0.379) 1.232 35.366 ( -0.944 0.694 -0.379) 1.232 35.469 ( 0.536 -1.357 0.922) 1.726 35.469 ( 0.536 1.357 0.922) 1.726 89.160 ( -1.421 -1.810 2.190) 3.176 89.160 ( -1.421 1.810 2.190) 3.176 89.263 ( 5.925 -3.525 -1.334) 7.023 89.263 ( 5.925 3.525 -1.334) 7.023 92.372 ( -0.083 -0.986 0.588) 1.151 92.372 ( -0.083 0.986 0.588) 1.151 92.646 ( -0.170 -2.775 -0.880) 2.916 92.646 ( -0.170 2.775 -0.880) 2.916 97.924 ( -2.783 -2.467 -3.184) 4.896 97.924 ( -2.783 2.467 -3.184) 4.896 98.090 ( 1.817 -5.711 1.741) 6.241 98.090 ( 1.817 5.711 1.741) 6.241 103.718 ( -0.263 -0.603 -0.015) 0.658 103.718 ( -0.263 0.603 -0.015) 0.658 103.866 ( -0.397 -0.260 0.617) 0.778 103.866 ( -0.397 0.260 0.617) 0.778 ======================= Grid point 225 (110/112) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -3.069 -11.475 -3.016) 12.255 1.183 ( -3.069 11.475 -3.016) 12.255 1.488 ( 3.055 -13.801 -6.915) 15.736 1.488 ( 3.055 13.801 -6.915) 15.736 1.687 ( 2.083 -7.053 4.254) 8.496 1.687 ( 2.083 7.053 4.254) 8.496 1.953 ( -0.555 -0.137 4.848) 4.881 1.953 ( -0.555 0.137 4.848) 4.881 2.319 ( -2.670 -5.542 1.118) 6.252 2.319 ( -2.670 5.542 1.118) 6.252 2.425 ( -2.806 -0.738 -1.639) 3.332 2.425 ( -2.806 0.738 -1.639) 3.332 2.580 ( -1.800 -1.486 -3.586) 4.279 2.580 ( -1.800 1.486 -3.586) 4.279 2.752 ( -9.845 -0.306 -2.239) 10.101 2.752 ( -9.845 0.306 -2.239) 10.101 2.938 ( 1.029 -1.839 -10.714) 10.919 2.938 ( 1.029 1.839 -10.714) 10.919 3.127 ( 5.606 -4.318 1.714) 7.281 3.127 ( 5.606 4.318 1.714) 7.281 3.281 ( 1.490 -4.943 2.934) 5.938 3.281 ( 1.490 4.943 2.934) 5.938 3.502 ( 1.790 -2.619 6.876) 7.572 3.502 ( 1.790 2.619 6.876) 7.572 4.416 ( -1.197 -5.082 -2.249) 5.685 4.416 ( -1.197 5.082 -2.249) 5.685 4.508 ( -0.650 -2.473 -2.978) 3.925 4.508 ( -0.650 2.473 -2.978) 3.925 4.787 ( -1.183 -2.814 1.501) 3.401 4.787 ( -1.183 2.814 1.501) 3.401 4.935 ( -1.760 -1.920 1.776) 3.152 4.935 ( -1.760 1.920 1.776) 3.152 5.097 ( -5.985 -4.540 -0.549) 7.532 5.097 ( -5.985 4.540 -0.549) 7.532 5.281 ( -1.621 -0.364 -2.442) 2.953 5.281 ( -1.621 0.364 -2.442) 2.953 5.439 ( 2.357 -1.506 4.519) 5.315 5.439 ( 2.357 1.506 4.519) 5.315 5.505 ( -1.832 -2.163 0.241) 2.845 5.505 ( -1.832 2.163 0.241) 2.845 5.774 ( -3.099 -1.390 2.204) 4.048 5.774 ( -3.099 1.390 2.204) 4.048 5.987 ( 0.004 -6.664 -2.250) 7.034 5.987 ( 0.004 6.664 -2.250) 7.034 6.224 ( -1.107 -3.424 -3.670) 5.139 6.224 ( -1.107 3.424 -3.670) 5.139 6.563 ( 5.186 -3.847 2.011) 6.763 6.563 ( 5.186 3.847 2.011) 6.763 6.951 ( 2.666 -3.982 10.717) 11.740 6.951 ( 2.666 3.982 10.717) 11.740 7.169 ( -1.334 -6.387 -2.387) 6.948 7.169 ( -1.334 6.387 -2.387) 6.948 7.415 ( 3.094 -1.257 4.419) 5.539 7.415 ( 3.094 1.257 4.419) 5.539 7.925 ( 0.455 -10.979 -0.602) 11.005 7.925 ( 0.455 10.979 -0.602) 11.005 8.096 ( 1.222 -5.125 -6.307) 8.218 8.096 ( 1.222 5.125 -6.307) 8.218 8.655 ( -2.015 -2.555 8.980) 9.551 8.655 ( -2.015 2.555 8.980) 9.551 8.918 ( -1.690 -4.406 -0.352) 4.732 8.918 ( -1.690 4.406 -0.352) 4.732 9.276 ( 4.199 -2.815 -2.494) 5.637 9.276 ( 4.199 2.815 -2.494) 5.637 10.112 ( 0.061 -8.100 4.205) 9.127 10.112 ( 0.061 8.100 4.205) 9.127 10.261 ( 0.046 -2.030 -2.980) 3.606 10.261 ( 0.046 2.030 -2.980) 3.606 10.540 ( 2.440 -4.087 -3.136) 5.700 10.540 ( 2.440 4.087 -3.136) 5.700 11.057 ( -3.455 -3.368 -5.348) 7.203 11.057 ( -3.455 3.368 -5.348) 7.203 21.486 ( -2.306 -1.860 1.956) 3.550 21.486 ( -2.306 1.860 1.956) 3.550 21.532 ( 1.480 -0.737 -2.935) 3.369 21.532 ( 1.480 0.737 -2.935) 3.369 22.735 ( -1.131 -1.186 -0.120) 1.643 22.735 ( -1.131 1.186 -0.120) 1.643 22.872 ( -0.324 -0.888 0.344) 1.006 22.872 ( -0.324 0.888 0.344) 1.006 23.625 ( 1.466 -1.175 0.672) 1.996 23.625 ( 1.466 1.175 0.672) 1.996 23.862 ( 0.640 -1.961 -0.227) 2.075 23.862 ( 0.640 1.961 -0.227) 2.075 26.793 ( -1.600 -0.321 -0.239) 1.650 26.793 ( -1.600 0.321 -0.239) 1.650 27.057 ( -0.429 -1.487 0.171) 1.557 27.057 ( -0.429 1.487 0.171) 1.557 29.684 ( -0.511 -3.560 -3.750) 5.196 29.684 ( -0.511 3.560 -3.750) 5.196 29.996 ( -3.868 -5.799 2.871) 7.538 29.996 ( -3.868 5.799 2.871) 7.538 32.169 ( -0.827 -5.796 -0.097) 5.856 32.169 ( -0.827 5.796 -0.097) 5.856 32.257 ( -0.362 -6.697 -0.252) 6.711 32.257 ( -0.362 6.697 -0.252) 6.711 33.633 ( 0.094 -2.552 1.509) 2.966 33.633 ( 0.094 2.552 1.509) 2.966 33.698 ( 1.281 -2.877 -1.470) 3.476 33.698 ( 1.281 2.877 -1.470) 3.476 35.347 ( -0.877 -0.651 -0.275) 1.127 35.347 ( -0.877 0.651 -0.275) 1.127 35.485 ( 0.119 -1.569 0.886) 1.806 35.485 ( 0.119 1.569 0.886) 1.806 89.175 ( 0.137 -1.331 2.323) 2.681 89.175 ( 0.137 1.331 2.323) 2.681 89.352 ( 6.240 -4.624 -1.022) 7.834 89.352 ( 6.240 4.624 -1.022) 7.834 92.380 ( -0.040 -1.427 1.112) 1.810 92.380 ( -0.040 1.427 1.112) 1.810 92.621 ( -0.925 -3.848 -2.247) 4.551 92.621 ( -0.925 3.848 -2.247) 4.551 97.867 ( -0.809 -1.007 -1.435) 1.930 97.867 ( -0.809 1.007 -1.435) 1.930 98.115 ( 0.071 -5.910 -0.087) 5.911 98.115 ( 0.071 5.910 -0.087) 5.911 103.713 ( -0.337 -0.877 0.020) 0.940 103.713 ( -0.337 0.877 0.020) 0.940 103.864 ( -0.751 -0.365 0.726) 1.107 103.864 ( -0.751 0.365 0.726) 1.107 ======================= Grid point 227 (111/112) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -1.702 -7.047 2.664) 7.723 1.140 ( -1.702 7.047 2.664) 7.723 1.459 ( 2.548 -13.344 -7.280) 15.412 1.459 ( 2.548 13.344 -7.280) 15.412 1.769 ( 3.607 -3.777 1.734) 5.503 1.769 ( 3.607 3.777 1.734) 5.503 1.987 ( -1.486 -2.582 4.496) 5.394 1.987 ( -1.486 2.582 4.496) 5.394 2.276 ( -5.608 -2.935 3.900) 7.435 2.276 ( -5.608 2.935 3.900) 7.435 2.376 ( -1.996 -3.719 -1.572) 4.504 2.376 ( -1.996 3.719 -1.572) 4.504 2.514 ( -0.083 -3.869 -4.653) 6.052 2.514 ( -0.083 3.870 -4.653) 6.052 2.598 ( -4.733 -3.250 -3.026) 6.490 2.598 ( -4.733 3.250 -3.026) 6.490 2.856 ( 0.663 -0.797 -7.127) 7.202 2.856 ( 0.663 0.797 -7.127) 7.202 3.154 ( -0.472 -4.462 -2.170) 4.984 3.154 ( -0.472 4.462 -2.170) 4.984 3.398 ( 6.807 -3.680 3.692) 8.574 3.398 ( 6.807 3.680 3.692) 8.574 3.580 ( -0.588 -2.871 5.566) 6.290 3.580 ( -0.588 2.871 5.566) 6.290 4.399 ( 0.609 -5.392 0.269) 5.433 4.399 ( 0.609 5.392 0.269) 5.433 4.492 ( 0.832 -0.684 -1.102) 1.541 4.492 ( 0.832 0.684 -1.102) 1.541 4.789 ( -1.347 -2.229 2.885) 3.887 4.789 ( -1.347 2.229 2.885) 3.887 4.893 ( -2.232 -0.352 -2.378) 3.281 4.893 ( -2.232 0.352 -2.378) 3.281 5.005 ( -4.493 -3.284 -0.879) 5.634 5.005 ( -4.493 3.284 -0.879) 5.634 5.209 ( -4.428 -1.496 -2.423) 5.265 5.209 ( -4.428 1.496 -2.423) 5.265 5.502 ( -0.368 -0.983 3.669) 3.817 5.502 ( -0.368 0.983 3.669) 3.817 5.544 ( 3.453 -3.268 4.290) 6.404 5.544 ( 3.453 3.268 4.290) 6.404 5.748 ( -1.985 -2.812 2.845) 4.466 5.748 ( -1.985 2.812 2.845) 4.466 5.982 ( 0.948 -3.900 -1.333) 4.229 5.982 ( 0.948 3.900 -1.333) 4.229 6.133 ( -3.949 -2.923 -6.014) 7.766 6.133 ( -3.949 2.923 -6.014) 7.766 6.654 ( 3.439 -4.349 1.207) 5.674 6.654 ( 3.439 4.349 1.207) 5.674 7.021 ( -2.576 -2.212 1.430) 3.684 7.021 ( -2.576 2.212 1.430) 3.684 7.201 ( 3.853 -2.704 5.469) 7.216 7.201 ( 3.853 2.704 5.469) 7.216 7.459 ( -0.367 -0.516 -1.043) 1.220 7.459 ( -0.367 0.516 -1.043) 1.220 7.892 ( 0.068 -6.265 -1.255) 6.390 7.892 ( 0.068 6.265 -1.255) 6.390 8.137 ( 5.379 -2.138 -1.057) 5.884 8.137 ( 5.379 2.138 -1.057) 5.884 8.687 ( -4.828 -3.525 6.012) 8.479 8.687 ( -4.828 3.525 6.012) 8.479 8.917 ( 0.912 -4.702 2.608) 5.453 8.917 ( 0.912 4.702 2.608) 5.453 9.313 ( 3.538 -3.389 -2.690) 5.589 9.313 ( 3.538 3.389 -2.690) 5.589 10.140 ( -1.303 -5.884 1.282) 6.162 10.140 ( -1.303 5.884 1.282) 6.162 10.238 ( 0.768 -6.122 -1.040) 6.256 10.238 ( 0.768 6.122 -1.040) 6.256 10.559 ( 2.608 -3.872 -0.335) 4.680 10.559 ( 2.608 3.872 -0.335) 4.680 10.926 ( -3.828 -4.155 -7.600) 9.470 10.926 ( -3.828 4.155 -7.600) 9.470 21.473 ( -1.731 -1.759 1.771) 3.037 21.473 ( -1.731 1.759 1.771) 3.037 21.521 ( 1.017 -0.968 -2.703) 3.046 21.521 ( 1.017 0.968 -2.703) 3.046 22.718 ( -0.743 -1.024 -0.075) 1.268 22.718 ( -0.743 1.024 -0.075) 1.268 22.869 ( -0.453 -0.789 0.247) 0.943 22.869 ( -0.453 0.789 0.247) 0.943 23.657 ( 1.394 -1.221 0.754) 2.001 23.657 ( 1.394 1.221 0.754) 2.001 23.868 ( 0.443 -1.875 -0.376) 1.963 23.868 ( 0.443 1.875 -0.376) 1.963 26.773 ( -0.941 -0.237 0.257) 1.004 26.773 ( -0.941 0.237 0.257) 1.004 27.042 ( -1.110 -1.264 -0.496) 1.754 27.042 ( -1.110 1.264 -0.496) 1.754 29.672 ( 2.278 -3.674 -1.053) 4.449 29.672 ( 2.278 3.674 -1.053) 4.449 29.934 ( -5.870 -5.632 0.543) 8.153 29.934 ( -5.870 5.632 0.543) 8.153 32.167 ( -0.011 -5.806 0.844) 5.867 32.167 ( -0.011 5.806 0.844) 5.867 32.240 ( -0.868 -6.495 -0.934) 6.619 32.240 ( -0.868 6.495 -0.934) 6.619 33.651 ( 0.028 -2.979 1.699) 3.429 33.651 ( 0.028 2.979 1.699) 3.429 33.700 ( 1.098 -3.209 -1.763) 3.823 33.700 ( 1.098 3.209 -1.763) 3.823 35.333 ( -0.507 -0.409 -0.135) 0.666 35.333 ( -0.507 0.409 -0.135) 0.666 35.491 ( -0.241 -1.099 0.469) 1.219 35.491 ( -0.241 1.099 0.469) 1.219 89.207 ( 0.784 -0.744 1.888) 2.176 89.207 ( 0.784 0.744 1.888) 2.176 89.428 ( 4.302 -4.176 -0.815) 6.051 89.428 ( 4.302 4.176 -0.815) 6.051 92.395 ( 0.100 -1.295 1.533) 2.009 92.395 ( 0.100 1.295 1.533) 2.009 92.571 ( -1.389 -2.938 -3.177) 4.544 92.571 ( -1.389 2.938 -3.177) 4.544 97.872 ( 1.409 -1.250 1.171) 2.218 97.872 ( 1.409 1.250 1.171) 2.218 98.093 ( -1.437 -5.119 -1.815) 5.618 98.093 ( -1.437 5.119 -1.815) 5.618 103.708 ( -0.251 -0.744 0.045) 0.787 103.708 ( -0.251 0.744 0.045) 0.787 103.858 ( -0.746 -0.293 0.449) 0.919 103.858 ( -0.746 0.293 0.449) 0.919 ======================= Grid point 229 (112/112) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.424 -2.011 3.742) 4.269 1.175 ( 0.424 2.011 3.742) 4.269 1.406 ( 0.067 -6.154 -5.248) 8.088 1.406 ( 0.067 6.154 -5.248) 8.088 1.835 ( 2.042 -1.041 1.431) 2.702 1.835 ( 2.042 1.041 1.431) 2.702 1.998 ( -1.329 -2.144 1.817) 3.109 1.998 ( -1.329 2.144 1.817) 3.109 2.251 ( -2.080 -1.504 3.442) 4.294 2.251 ( -2.080 1.504 3.442) 4.294 2.312 ( -1.383 -2.953 -3.562) 4.829 2.312 ( -1.383 2.953 -3.562) 4.829 2.494 ( 0.457 -3.350 -0.323) 3.397 2.494 ( 0.457 3.350 -0.323) 3.397 2.531 ( -0.853 -3.360 -2.093) 4.050 2.531 ( -0.853 3.360 -2.093) 4.050 2.812 ( 0.366 -0.845 -2.545) 2.706 2.812 ( 0.366 0.845 -2.545) 2.706 3.117 ( -1.098 -1.725 -0.920) 2.242 3.117 ( -1.098 1.725 -0.920) 2.242 3.528 ( 6.337 -3.627 -0.168) 7.304 3.528 ( 6.337 3.627 -0.168) 7.304 3.596 ( -3.522 -3.186 3.477) 5.886 3.596 ( -3.522 3.186 3.477) 5.886 4.433 ( 1.462 -4.421 1.787) 4.987 4.433 ( 1.462 4.421 1.787) 4.987 4.490 ( 0.093 -2.951 -1.228) 3.198 4.490 ( 0.093 2.951 -1.228) 3.198 4.806 ( -1.526 -0.998 4.617) 4.964 4.806 ( -1.526 0.998 4.617) 4.964 4.840 ( 0.270 -0.821 -4.225) 4.313 4.840 ( 0.270 0.821 -4.225) 4.313 4.943 ( -1.504 -1.673 -1.085) 2.498 4.943 ( -1.504 1.673 -1.085) 2.498 5.112 ( -3.678 -1.413 -1.100) 4.091 5.112 ( -3.678 1.413 -1.100) 4.091 5.537 ( 0.061 -0.184 2.247) 2.255 5.537 ( 0.061 0.184 2.247) 2.255 5.629 ( 2.217 -2.368 1.168) 3.448 5.629 ( 2.217 2.368 1.168) 3.448 5.801 ( 2.084 -1.759 7.698) 8.167 5.801 ( 2.084 1.759 7.698) 8.167 5.950 ( -1.507 -2.458 -9.572) 9.997 5.950 ( -1.507 2.458 -9.572) 9.997 6.008 ( -3.070 -0.279 0.146) 3.086 6.008 ( -3.070 0.279 0.146) 3.086 6.698 ( 1.021 -1.866 0.536) 2.194 6.698 ( 1.021 1.866 0.536) 2.194 6.990 ( -0.751 -1.020 -0.746) 1.470 6.990 ( -0.751 1.020 -0.746) 1.470 7.308 ( 1.607 -1.592 3.669) 4.311 7.308 ( 1.607 1.592 3.669) 4.311 7.425 ( -0.834 -0.473 -1.254) 1.578 7.425 ( -0.834 0.473 -1.254) 1.578 7.886 ( 0.423 -2.172 -1.322) 2.578 7.886 ( 0.423 2.172 -1.322) 2.578 8.211 ( 2.869 -1.669 0.930) 3.447 8.211 ( 2.869 1.669 0.930) 3.447 8.651 ( -2.807 -0.424 0.869) 2.969 8.651 ( -2.807 0.424 0.869) 2.969 8.976 ( 0.919 -1.206 3.038) 3.395 8.976 ( 0.919 1.206 3.038) 3.395 9.326 ( 1.209 -1.727 -1.647) 2.676 9.326 ( 1.209 1.727 -1.647) 2.676 10.115 ( -0.910 -2.014 -0.679) 2.312 10.115 ( -0.910 2.014 -0.679) 2.312 10.252 ( 0.544 -2.682 0.359) 2.760 10.252 ( 0.544 2.682 0.359) 2.760 10.623 ( 2.633 -2.500 3.645) 5.145 10.623 ( 2.633 2.500 3.645) 5.145 10.786 ( -3.142 -3.261 -6.696) 8.084 10.786 ( -3.142 3.261 -6.696) 8.084 21.468 ( -0.690 -0.803 0.818) 1.338 21.468 ( -0.690 0.803 0.818) 1.338 21.511 ( 0.416 -0.537 -1.199) 1.378 21.511 ( 0.416 0.537 -1.199) 1.378 22.710 ( -0.223 -0.409 -0.010) 0.466 22.710 ( -0.223 0.409 -0.010) 0.466 22.865 ( -0.226 -0.317 0.074) 0.396 22.865 ( -0.226 0.317 0.074) 0.396 23.680 ( 0.591 -0.563 0.351) 0.889 23.680 ( 0.591 0.563 0.351) 0.889 23.869 ( 0.131 -0.815 -0.206) 0.851 23.869 ( 0.131 0.815 -0.206) 0.851 26.767 ( -0.235 -0.078 0.239) 0.344 26.767 ( -0.235 0.078 0.239) 0.344 27.020 ( -0.634 -0.500 -0.377) 0.891 27.020 ( -0.634 0.500 -0.377) 0.891 29.729 ( 4.702 -3.995 0.790) 6.220 29.729 ( 4.702 3.995 0.790) 6.220 29.832 ( -6.067 -4.777 -0.926) 7.778 29.832 ( -6.067 4.777 -0.926) 7.778 32.184 ( 0.598 -5.982 1.407) 6.175 32.184 ( 0.598 5.982 1.407) 6.175 32.213 ( -0.909 -6.228 -1.391) 6.446 32.213 ( -0.909 6.228 -1.391) 6.446 33.668 ( -0.051 -2.143 1.216) 2.465 33.668 ( -0.051 2.143 1.216) 2.465 33.695 ( 0.477 -2.214 -1.265) 2.594 33.695 ( 0.477 2.214 -1.265) 2.594 35.327 ( -0.153 -0.136 -0.039) 0.208 35.327 ( -0.153 0.136 -0.039) 0.208 35.490 ( -0.154 -0.376 0.124) 0.424 35.490 ( -0.154 0.376 0.124) 0.424 89.233 ( 0.411 -0.240 0.763) 0.900 89.233 ( 0.411 0.240 0.763) 0.900 89.468 ( 1.467 -1.710 -0.369) 2.283 89.468 ( 1.467 1.710 -0.369) 2.283 92.413 ( 0.167 -0.631 1.148) 1.321 92.413 ( 0.167 0.631 1.148) 1.321 92.522 ( -0.756 -1.118 -1.945) 2.368 92.522 ( -0.756 1.118 -1.945) 2.368 97.922 ( 1.825 -1.591 2.047) 3.170 97.922 ( 1.825 1.591 2.047) 3.170 98.040 ( -1.708 -3.037 -2.131) 4.084 98.040 ( -1.708 3.037 -2.131) 4.084 103.706 ( -0.090 -0.290 0.023) 0.305 103.706 ( -0.090 0.290 0.023) 0.305 103.852 ( -0.306 -0.110 0.135) 0.352 103.852 ( -0.306 0.110 0.135) 0.352 =================== 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 3/38880 10.0 75.861 65.892 91.171 0.000 -17.184 0.000 3/38880 20.0 18.083 16.300 25.538 0.000 -4.648 0.000 3/38880 30.0 9.021 8.312 13.045 0.000 -2.331 0.000 3/38880 40.0 5.674 5.232 8.214 0.000 -1.430 0.000 3/38880 50.0 3.983 3.655 5.751 0.000 -0.976 0.000 3/38880 60.0 3.004 2.742 4.324 0.000 -0.718 0.000 3/38880 70.0 2.387 2.170 3.427 0.000 -0.558 0.000 3/38880 80.0 1.972 1.786 2.824 0.000 -0.452 0.000 3/38880 90.0 1.678 1.516 2.398 0.000 -0.379 0.000 3/38880 100.0 1.460 1.317 2.083 0.000 -0.325 0.000 3/38880 110.0 1.293 1.165 1.842 0.000 -0.284 0.000 3/38880 120.0 1.161 1.045 1.652 0.000 -0.253 0.000 3/38880 130.0 1.055 0.949 1.498 0.000 -0.228 0.000 3/38880 140.0 0.966 0.869 1.372 0.000 -0.207 0.000 3/38880 150.0 0.892 0.802 1.266 0.000 -0.190 0.000 3/38880 160.0 0.829 0.745 1.175 0.000 -0.176 0.000 3/38880 170.0 0.775 0.696 1.097 0.000 -0.163 0.000 3/38880 180.0 0.727 0.653 1.029 0.000 -0.153 0.000 3/38880 190.0 0.685 0.616 0.969 0.000 -0.143 0.000 3/38880 200.0 0.648 0.582 0.916 0.000 -0.135 0.000 3/38880 210.0 0.615 0.552 0.869 0.000 -0.128 0.000 3/38880 220.0 0.585 0.525 0.826 0.000 -0.121 0.000 3/38880 230.0 0.557 0.501 0.787 0.000 -0.116 0.000 3/38880 240.0 0.533 0.479 0.752 0.000 -0.110 0.000 3/38880 250.0 0.510 0.458 0.720 0.000 -0.105 0.000 3/38880 260.0 0.489 0.440 0.691 0.000 -0.101 0.000 3/38880 270.0 0.470 0.423 0.663 0.000 -0.097 0.000 3/38880 280.0 0.453 0.407 0.638 0.000 -0.093 0.000 3/38880 290.0 0.436 0.392 0.615 0.000 -0.090 0.000 3/38880 300.0 0.421 0.379 0.594 0.000 -0.087 0.000 3/38880 310.0 0.407 0.366 0.574 0.000 -0.084 0.000 3/38880 320.0 0.394 0.354 0.555 0.000 -0.081 0.000 3/38880 330.0 0.381 0.343 0.537 0.000 -0.078 0.000 3/38880 340.0 0.370 0.333 0.521 0.000 -0.076 0.000 3/38880 350.0 0.359 0.323 0.506 0.000 -0.074 0.000 3/38880 360.0 0.349 0.314 0.491 0.000 -0.071 0.000 3/38880 370.0 0.339 0.305 0.477 0.000 -0.069 0.000 3/38880 380.0 0.330 0.297 0.464 0.000 -0.068 0.000 3/38880 390.0 0.321 0.289 0.452 0.000 -0.066 0.000 3/38880 400.0 0.313 0.281 0.440 0.000 -0.064 0.000 3/38880 410.0 0.305 0.274 0.429 0.000 -0.062 0.000 3/38880 420.0 0.297 0.268 0.419 0.000 -0.061 0.000 3/38880 430.0 0.290 0.261 0.409 0.000 -0.059 0.000 3/38880 440.0 0.284 0.255 0.399 0.000 -0.058 0.000 3/38880 450.0 0.277 0.250 0.390 0.000 -0.057 0.000 3/38880 460.0 0.271 0.244 0.381 0.000 -0.055 0.000 3/38880 470.0 0.265 0.239 0.373 0.000 -0.054 0.000 3/38880 480.0 0.259 0.234 0.365 0.000 -0.053 0.000 3/38880 490.0 0.254 0.229 0.357 0.000 -0.052 0.000 3/38880 500.0 0.249 0.224 0.350 0.000 -0.051 0.000 3/38880 510.0 0.244 0.220 0.343 0.000 -0.050 0.000 3/38880 520.0 0.239 0.216 0.336 0.000 -0.049 0.000 3/38880 530.0 0.235 0.211 0.330 0.000 -0.048 0.000 3/38880 540.0 0.230 0.207 0.324 0.000 -0.047 0.000 3/38880 550.0 0.226 0.204 0.318 0.000 -0.046 0.000 3/38880 560.0 0.222 0.200 0.312 0.000 -0.045 0.000 3/38880 570.0 0.218 0.196 0.306 0.000 -0.044 0.000 3/38880 580.0 0.214 0.193 0.301 0.000 -0.044 0.000 3/38880 590.0 0.210 0.190 0.296 0.000 -0.043 0.000 3/38880 600.0 0.207 0.187 0.291 0.000 -0.042 0.000 3/38880 610.0 0.203 0.183 0.286 0.000 -0.041 0.000 3/38880 620.0 0.200 0.180 0.281 0.000 -0.041 0.000 3/38880 630.0 0.197 0.178 0.277 0.000 -0.040 0.000 3/38880 640.0 0.194 0.175 0.272 0.000 -0.039 0.000 3/38880 650.0 0.191 0.172 0.268 0.000 -0.039 0.000 3/38880 660.0 0.188 0.169 0.264 0.000 -0.038 0.000 3/38880 670.0 0.185 0.167 0.260 0.000 -0.038 0.000 3/38880 680.0 0.182 0.164 0.256 0.000 -0.037 0.000 3/38880 690.0 0.180 0.162 0.253 0.000 -0.037 0.000 3/38880 700.0 0.177 0.160 0.249 0.000 -0.036 0.000 3/38880 710.0 0.175 0.158 0.245 0.000 -0.036 0.000 3/38880 720.0 0.172 0.155 0.242 0.000 -0.035 0.000 3/38880 730.0 0.170 0.153 0.239 0.000 -0.035 0.000 3/38880 740.0 0.167 0.151 0.235 0.000 -0.034 0.000 3/38880 750.0 0.165 0.149 0.232 0.000 -0.034 0.000 3/38880 760.0 0.163 0.147 0.229 0.000 -0.033 0.000 3/38880 770.0 0.161 0.145 0.226 0.000 -0.033 0.000 3/38880 780.0 0.159 0.143 0.223 0.000 -0.032 0.000 3/38880 790.0 0.157 0.142 0.220 0.000 -0.032 0.000 3/38880 800.0 0.155 0.140 0.218 0.000 -0.031 0.000 3/38880 810.0 0.153 0.138 0.215 0.000 -0.031 0.000 3/38880 820.0 0.151 0.136 0.212 0.000 -0.031 0.000 3/38880 830.0 0.149 0.135 0.210 0.000 -0.030 0.000 3/38880 840.0 0.147 0.133 0.207 0.000 -0.030 0.000 3/38880 850.0 0.146 0.132 0.205 0.000 -0.030 0.000 3/38880 860.0 0.144 0.130 0.202 0.000 -0.029 0.000 3/38880 870.0 0.142 0.129 0.200 0.000 -0.029 0.000 3/38880 880.0 0.141 0.127 0.198 0.000 -0.029 0.000 3/38880 890.0 0.139 0.126 0.196 0.000 -0.028 0.000 3/38880 900.0 0.138 0.124 0.193 0.000 -0.028 0.000 3/38880 910.0 0.136 0.123 0.191 0.000 -0.028 0.000 3/38880 920.0 0.135 0.122 0.189 0.000 -0.027 0.000 3/38880 930.0 0.133 0.120 0.187 0.000 -0.027 0.000 3/38880 940.0 0.132 0.119 0.185 0.000 -0.027 0.000 3/38880 950.0 0.130 0.118 0.183 0.000 -0.026 0.000 3/38880 960.0 0.129 0.117 0.181 0.000 -0.026 0.000 3/38880 970.0 0.128 0.115 0.179 0.000 -0.026 0.000 3/38880 980.0 0.126 0.114 0.178 0.000 -0.026 0.000 3/38880 990.0 0.125 0.113 0.176 0.000 -0.025 0.000 3/38880 1000.0 0.124 0.112 0.174 0.000 -0.025 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m966.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:04:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|