----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:06:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.893241990148524 0.000000000000000 0.000000000000000 b 0.000000000000000 9.889894959999999 0.000000000000000 c -5.838262661762177 0.000000000000000 10.283367109924761 Atomic positions (fractional): *1 C 0.02612483083863 0.20936722378045 0.75288660010318 12.011 2 C 0.97387516916137 0.70936722378045 0.74711339989682 12.011 3 C 0.97387516916137 0.79063277621955 0.24711339989682 12.011 4 C 0.02612483083863 0.29063277621955 0.25288660010318 12.011 *5 N 0.70216418028759 0.44746111106677 0.63487615435267 14.007 6 N 0.29783581971241 0.94746111106677 0.86512384564733 14.007 7 N 0.29783581971241 0.55253888893323 0.36512384564732 14.007 8 N 0.70216418028759 0.05253888893323 0.13487615435267 14.007 *9 N 0.52351888693757 0.23894015332817 0.74804528290499 14.007 10 N 0.47648111306243 0.73894015332817 0.75195471709501 14.007 11 N 0.47648111306243 0.76105984667183 0.25195471709501 14.007 12 N 0.52351888693757 0.26105984667183 0.24804528290499 14.007 *13 N 0.50749708169466 0.20962438039035 0.50091692764580 14.007 14 N 0.49250291830534 0.70962438039036 0.99908307235420 14.007 15 N 0.49250291830534 0.79037561960964 0.49908307235420 14.007 16 N 0.50749708169466 0.29037561960964 0.00091692764580 14.007 *17 N 0.24817092510462 0.46662771182251 0.72458119302254 14.007 18 N 0.75182907489538 0.96662771182250 0.77541880697746 14.007 19 N 0.75182907489538 0.53337228817750 0.27541880697746 14.007 20 N 0.24817092510462 0.03337228817749 0.22458119302254 14.007 *21 N 0.05815927448588 0.45582931158733 0.89987029195892 14.007 22 N 0.94184072551412 0.95582931158733 0.60012970804108 14.007 23 N 0.94184072551412 0.54417068841267 0.10012970804108 14.007 24 N 0.05815927448588 0.04417068841267 0.39987029195892 14.007 *25 N 0.04005284015196 0.21042144784293 0.00940459431468 14.007 26 N 0.95994715984804 0.71042144784293 0.49059540568532 14.007 27 N 0.95994715984804 0.78957855215707 0.99059540568532 14.007 28 N 0.04005284015196 0.28957855215707 0.50940459431468 14.007 *29 Si 0.67989916087398 0.27338167202251 0.65907985500676 28.085 30 Si 0.32010083912602 0.77338167202251 0.84092014499324 28.085 31 Si 0.32010083912602 0.72661832797749 0.34092014499324 28.085 32 Si 0.67989916087398 0.22661832797749 0.15907985500676 28.085 *33 Si 0.20364157624003 0.29621532291318 0.67698943232572 28.085 34 Si 0.79635842375997 0.79621532291318 0.82301056767428 28.085 35 Si 0.79635842375997 0.70378467708682 0.32301056767428 28.085 36 Si 0.20364157624003 0.20378467708682 0.17698943232572 28.085 *37 Si 0.16502516550312 0.28748706185729 0.92064004954531 28.085 38 Si 0.83497483449688 0.78748706185729 0.57935995045469 28.085 39 Si 0.83497483449688 0.71251293814271 0.07935995045469 28.085 40 Si 0.16502516550312 0.21251293814271 0.42064004954531 28.085 *41 Si 0.00369588087130 0.02152869406336 0.74954524514969 28.085 42 Si 0.99630411912870 0.52152869406336 0.75045475485031 28.085 43 Si 0.99630411912870 0.97847130593664 0.25045475485031 28.085 44 Si 0.00369588087130 0.47847130593664 0.24954524514969 28.085 *45 Ho 0.65475683942414 0.08767197978797 0.91762881174353 164.930 46 Ho 0.34524316057586 0.58767197978797 0.58237118825647 164.930 47 Ho 0.34524316057586 0.91232802021203 0.08237118825646 164.930 48 Ho 0.65475683942414 0.41232802021203 0.41762881174354 164.930 *49 Ho 0.32921151007816 0.93298702140593 0.59440348757799 164.930 50 Ho 0.67078848992184 0.43298702140593 0.90559651242201 164.930 51 Ho 0.67078848992184 0.06701297859407 0.40559651242201 164.930 52 Ho 0.32921151007816 0.56701297859407 0.09440348757799 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.893241990148524 0.000000000000000 0.000000000000000 b 0.000000000000000 9.889894959999999 0.000000000000000 c -5.838262661762177 0.000000000000000 10.283367109924761 Atomic positions (fractional): *1 C 0.02612483083863 0.20936722378045 0.75288660010318 12.011 > 1 2 C 0.97387516916137 0.70936722378045 0.74711339989682 12.011 > 2 3 C 0.97387516916137 0.79063277621955 0.24711339989682 12.011 > 3 4 C 0.02612483083863 0.29063277621955 0.25288660010318 12.011 > 4 *5 N 0.70216418028759 0.44746111106677 0.63487615435267 14.007 > 5 6 N 0.29783581971241 0.94746111106677 0.86512384564733 14.007 > 6 7 N 0.29783581971241 0.55253888893323 0.36512384564732 14.007 > 7 8 N 0.70216418028759 0.05253888893323 0.13487615435267 14.007 > 8 *9 N 0.52351888693757 0.23894015332817 0.74804528290499 14.007 > 9 10 N 0.47648111306243 0.73894015332817 0.75195471709501 14.007 > 10 11 N 0.47648111306243 0.76105984667183 0.25195471709501 14.007 > 11 12 N 0.52351888693757 0.26105984667183 0.24804528290499 14.007 > 12 *13 N 0.50749708169466 0.20962438039035 0.50091692764580 14.007 > 13 14 N 0.49250291830534 0.70962438039036 0.99908307235420 14.007 > 14 15 N 0.49250291830534 0.79037561960964 0.49908307235420 14.007 > 15 16 N 0.50749708169466 0.29037561960964 0.00091692764580 14.007 > 16 *17 N 0.24817092510462 0.46662771182251 0.72458119302254 14.007 > 17 18 N 0.75182907489538 0.96662771182250 0.77541880697746 14.007 > 18 19 N 0.75182907489538 0.53337228817750 0.27541880697746 14.007 > 19 20 N 0.24817092510462 0.03337228817749 0.22458119302254 14.007 > 20 *21 N 0.05815927448588 0.45582931158733 0.89987029195892 14.007 > 21 22 N 0.94184072551412 0.95582931158733 0.60012970804108 14.007 > 22 23 N 0.94184072551412 0.54417068841267 0.10012970804108 14.007 > 23 24 N 0.05815927448588 0.04417068841267 0.39987029195892 14.007 > 24 *25 N 0.04005284015196 0.21042144784293 0.00940459431468 14.007 > 25 26 N 0.95994715984804 0.71042144784293 0.49059540568532 14.007 > 26 27 N 0.95994715984804 0.78957855215707 0.99059540568532 14.007 > 27 28 N 0.04005284015196 0.28957855215707 0.50940459431468 14.007 > 28 *29 Si 0.67989916087398 0.27338167202251 0.65907985500676 28.085 > 29 30 Si 0.32010083912602 0.77338167202251 0.84092014499324 28.085 > 30 31 Si 0.32010083912602 0.72661832797749 0.34092014499324 28.085 > 31 32 Si 0.67989916087398 0.22661832797749 0.15907985500676 28.085 > 32 *33 Si 0.20364157624003 0.29621532291318 0.67698943232572 28.085 > 33 34 Si 0.79635842375997 0.79621532291318 0.82301056767428 28.085 > 34 35 Si 0.79635842375997 0.70378467708682 0.32301056767428 28.085 > 35 36 Si 0.20364157624003 0.20378467708682 0.17698943232572 28.085 > 36 *37 Si 0.16502516550312 0.28748706185729 0.92064004954531 28.085 > 37 38 Si 0.83497483449688 0.78748706185729 0.57935995045469 28.085 > 38 39 Si 0.83497483449688 0.71251293814271 0.07935995045469 28.085 > 39 40 Si 0.16502516550312 0.21251293814271 0.42064004954531 28.085 > 40 *41 Si 0.00369588087130 0.02152869406336 0.74954524514969 28.085 > 41 42 Si 0.99630411912870 0.52152869406336 0.75045475485031 28.085 > 42 43 Si 0.99630411912870 0.97847130593664 0.25045475485031 28.085 > 43 44 Si 0.00369588087130 0.47847130593664 0.24954524514969 28.085 > 44 *45 Ho 0.65475683942414 0.08767197978797 0.91762881174353 164.930 > 45 46 Ho 0.34524316057586 0.58767197978797 0.58237118825647 164.930 > 46 47 Ho 0.34524316057586 0.91232802021203 0.08237118825646 164.930 > 47 48 Ho 0.65475683942414 0.41232802021203 0.41762881174354 164.930 > 48 *49 Ho 0.32921151007816 0.93298702140593 0.59440348757799 164.930 > 49 50 Ho 0.67078848992184 0.43298702140593 0.90559651242201 164.930 > 50 51 Ho 0.67078848992184 0.06701297859407 0.40559651242201 164.930 > 51 52 Ho 0.32921151007816 0.56701297859407 0.09440348757799 164.930 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.786483980297048 0.000000000000000 0.000000000000000 b 0.000000000000000 9.889894959999999 0.000000000000000 c -5.838262661762177 0.000000000000000 10.283367109924761 Atomic positions (fractional): *1 C 0.01306241541932 0.20936722378045 0.75288660010318 12.011 > 1 2 C 0.51306241541931 0.20936722378045 0.75288660010318 12.011 > 1 3 C 0.48693758458068 0.70936722378045 0.74711339989682 12.011 > 2 4 C 0.98693758458068 0.70936722378045 0.74711339989682 12.011 > 2 5 C 0.48693758458068 0.79063277621955 0.24711339989682 12.011 > 3 6 C 0.98693758458068 0.79063277621955 0.24711339989682 12.011 > 3 7 C 0.01306241541932 0.29063277621955 0.25288660010318 12.011 > 4 8 C 0.51306241541931 0.29063277621955 0.25288660010318 12.011 > 4 *9 N 0.35108209014380 0.44746111106677 0.63487615435267 14.007 > 5 10 N 0.85108209014380 0.44746111106677 0.63487615435267 14.007 > 5 11 N 0.14891790985620 0.94746111106677 0.86512384564733 14.007 > 6 12 N 0.64891790985620 0.94746111106677 0.86512384564733 14.007 > 6 13 N 0.14891790985620 0.55253888893323 0.36512384564732 14.007 > 7 14 N 0.64891790985620 0.55253888893323 0.36512384564732 14.007 > 7 15 N 0.35108209014380 0.05253888893323 0.13487615435267 14.007 > 8 16 N 0.85108209014380 0.05253888893323 0.13487615435267 14.007 > 8 *17 N 0.26175944346878 0.23894015332817 0.74804528290499 14.007 > 9 18 N 0.76175944346878 0.23894015332817 0.74804528290499 14.007 > 9 19 N 0.23824055653122 0.73894015332817 0.75195471709501 14.007 > 10 20 N 0.73824055653122 0.73894015332817 0.75195471709501 14.007 > 10 21 N 0.23824055653122 0.76105984667183 0.25195471709501 14.007 > 11 22 N 0.73824055653122 0.76105984667183 0.25195471709501 14.007 > 11 23 N 0.26175944346878 0.26105984667183 0.24804528290499 14.007 > 12 24 N 0.76175944346878 0.26105984667183 0.24804528290499 14.007 > 12 *25 N 0.25374854084733 0.20962438039035 0.50091692764580 14.007 > 13 26 N 0.75374854084733 0.20962438039035 0.50091692764580 14.007 > 13 27 N 0.24625145915267 0.70962438039036 0.99908307235420 14.007 > 14 28 N 0.74625145915267 0.70962438039036 0.99908307235420 14.007 > 14 29 N 0.24625145915267 0.79037561960964 0.49908307235420 14.007 > 15 30 N 0.74625145915267 0.79037561960964 0.49908307235420 14.007 > 15 31 N 0.25374854084733 0.29037561960964 0.00091692764580 14.007 > 16 32 N 0.75374854084733 0.29037561960964 0.00091692764580 14.007 > 16 *33 N 0.12408546255231 0.46662771182251 0.72458119302254 14.007 > 17 34 N 0.62408546255231 0.46662771182251 0.72458119302254 14.007 > 17 35 N 0.37591453744769 0.96662771182250 0.77541880697746 14.007 > 18 36 N 0.87591453744769 0.96662771182250 0.77541880697746 14.007 > 18 37 N 0.37591453744769 0.53337228817750 0.27541880697746 14.007 > 19 38 N 0.87591453744769 0.53337228817750 0.27541880697746 14.007 > 19 39 N 0.12408546255231 0.03337228817749 0.22458119302254 14.007 > 20 40 N 0.62408546255231 0.03337228817749 0.22458119302254 14.007 > 20 *41 N 0.02907963724294 0.45582931158733 0.89987029195892 14.007 > 21 42 N 0.52907963724294 0.45582931158733 0.89987029195892 14.007 > 21 43 N 0.47092036275706 0.95582931158733 0.60012970804108 14.007 > 22 44 N 0.97092036275706 0.95582931158733 0.60012970804108 14.007 > 22 45 N 0.47092036275706 0.54417068841267 0.10012970804108 14.007 > 23 46 N 0.97092036275706 0.54417068841267 0.10012970804108 14.007 > 23 47 N 0.02907963724294 0.04417068841267 0.39987029195892 14.007 > 24 48 N 0.52907963724294 0.04417068841267 0.39987029195892 14.007 > 24 *49 N 0.02002642007598 0.21042144784293 0.00940459431468 14.007 > 25 50 N 0.52002642007598 0.21042144784293 0.00940459431468 14.007 > 25 51 N 0.47997357992402 0.71042144784293 0.49059540568532 14.007 > 26 52 N 0.97997357992402 0.71042144784293 0.49059540568532 14.007 > 26 53 N 0.47997357992402 0.78957855215707 0.99059540568532 14.007 > 27 54 N 0.97997357992402 0.78957855215707 0.99059540568532 14.007 > 27 55 N 0.02002642007598 0.28957855215707 0.50940459431468 14.007 > 28 56 N 0.52002642007598 0.28957855215707 0.50940459431468 14.007 > 28 *57 Si 0.33994958043699 0.27338167202251 0.65907985500676 28.085 > 29 58 Si 0.83994958043699 0.27338167202251 0.65907985500676 28.085 > 29 59 Si 0.16005041956301 0.77338167202251 0.84092014499324 28.085 > 30 60 Si 0.66005041956301 0.77338167202251 0.84092014499324 28.085 > 30 61 Si 0.16005041956301 0.72661832797749 0.34092014499324 28.085 > 31 62 Si 0.66005041956301 0.72661832797749 0.34092014499324 28.085 > 31 63 Si 0.33994958043699 0.22661832797749 0.15907985500676 28.085 > 32 64 Si 0.83994958043699 0.22661832797749 0.15907985500676 28.085 > 32 *65 Si 0.10182078812002 0.29621532291318 0.67698943232572 28.085 > 33 66 Si 0.60182078812002 0.29621532291318 0.67698943232572 28.085 > 33 67 Si 0.39817921187998 0.79621532291318 0.82301056767428 28.085 > 34 68 Si 0.89817921187998 0.79621532291318 0.82301056767428 28.085 > 34 69 Si 0.39817921187998 0.70378467708682 0.32301056767428 28.085 > 35 70 Si 0.89817921187998 0.70378467708682 0.32301056767428 28.085 > 35 71 Si 0.10182078812002 0.20378467708682 0.17698943232572 28.085 > 36 72 Si 0.60182078812002 0.20378467708682 0.17698943232572 28.085 > 36 *73 Si 0.08251258275156 0.28748706185729 0.92064004954531 28.085 > 37 74 Si 0.58251258275156 0.28748706185729 0.92064004954531 28.085 > 37 75 Si 0.41748741724844 0.78748706185729 0.57935995045469 28.085 > 38 76 Si 0.91748741724844 0.78748706185729 0.57935995045469 28.085 > 38 77 Si 0.41748741724844 0.71251293814271 0.07935995045469 28.085 > 39 78 Si 0.91748741724844 0.71251293814271 0.07935995045469 28.085 > 39 79 Si 0.08251258275156 0.21251293814271 0.42064004954531 28.085 > 40 80 Si 0.58251258275156 0.21251293814271 0.42064004954531 28.085 > 40 *81 Si 0.00184794043565 0.02152869406336 0.74954524514969 28.085 > 41 82 Si 0.50184794043565 0.02152869406336 0.74954524514969 28.085 > 41 83 Si 0.49815205956435 0.52152869406336 0.75045475485031 28.085 > 42 84 Si 0.99815205956435 0.52152869406336 0.75045475485031 28.085 > 42 85 Si 0.49815205956435 0.97847130593664 0.25045475485031 28.085 > 43 86 Si 0.99815205956435 0.97847130593664 0.25045475485031 28.085 > 43 87 Si 0.00184794043565 0.47847130593664 0.24954524514969 28.085 > 44 88 Si 0.50184794043565 0.47847130593664 0.24954524514969 28.085 > 44 *89 Ho 0.32737841971207 0.08767197978797 0.91762881174353 164.930 > 45 90 Ho 0.82737841971207 0.08767197978797 0.91762881174353 164.930 > 45 91 Ho 0.17262158028793 0.58767197978797 0.58237118825647 164.930 > 46 92 Ho 0.67262158028793 0.58767197978797 0.58237118825647 164.930 > 46 93 Ho 0.17262158028793 0.91232802021203 0.08237118825646 164.930 > 47 94 Ho 0.67262158028793 0.91232802021203 0.08237118825646 164.930 > 47 95 Ho 0.32737841971207 0.41232802021203 0.41762881174354 164.930 > 48 96 Ho 0.82737841971207 0.41232802021203 0.41762881174354 164.930 > 48 *97 Ho 0.16460575503908 0.93298702140593 0.59440348757799 164.930 > 49 98 Ho 0.66460575503908 0.93298702140593 0.59440348757799 164.930 > 49 99 Ho 0.33539424496092 0.43298702140593 0.90559651242201 164.930 > 50 100 Ho 0.83539424496092 0.43298702140593 0.90559651242201 164.930 > 50 101 Ho 0.33539424496092 0.06701297859407 0.40559651242201 164.930 > 51 102 Ho 0.83539424496092 0.06701297859407 0.40559651242201 164.930 > 51 103 Ho 0.16460575503908 0.56701297859407 0.09440348757799 164.930 > 52 104 Ho 0.66460575503908 0.56701297859407 0.09440348757799 164.930 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8064954 0.0000000 -0.0117586 0.0000000 5.6033038 0.0000000 -0.0117531 0.0000000 5.7378528 -------------------------- Born effective charges -------------------------- 1 C -2.4936174 -0.0402088 -0.0483698 -0.0636344 -2.6846474 0.0254142 -0.1057508 -0.0126247 -2.4846984 2 C -2.4936174 0.0402088 -0.0483698 0.0636344 -2.6846474 -0.0254142 -0.1057508 0.0126247 -2.4846984 3 C -2.4936174 -0.0402088 -0.0483698 -0.0636344 -2.6846474 0.0254142 -0.1057508 -0.0126247 -2.4846984 4 C -2.4936174 0.0402088 -0.0483698 0.0636344 -2.6846474 -0.0254142 -0.1057508 0.0126247 -2.4846984 5 N -2.8261683 0.0084157 -0.1962103 0.2050956 -3.2750506 -0.0865257 -0.2624897 -0.1110721 -2.7941757 6 N -2.8261683 -0.0084157 -0.1962103 -0.2050956 -3.2750506 0.0865257 -0.2624897 0.1110721 -2.7941757 7 N -2.8261683 0.0084157 -0.1962103 0.2050956 -3.2750506 -0.0865257 -0.2624897 -0.1110721 -2.7941757 8 N -2.8261683 -0.0084157 -0.1962103 -0.2050956 -3.2750506 0.0865257 -0.2624897 0.1110721 -2.7941757 9 N -3.2903819 -0.1071444 0.1897948 0.0387278 -2.3701707 0.2745232 0.1627236 0.2367898 -2.9403277 10 N -3.2903819 0.1071444 0.1897948 -0.0387278 -2.3701707 -0.2745232 0.1627236 -0.2367898 -2.9403277 11 N -3.2903819 -0.1071444 0.1897948 0.0387278 -2.3701707 0.2745232 0.1627236 0.2367898 -2.9403277 12 N -3.2903819 0.1071444 0.1897948 -0.0387278 -2.3701707 -0.2745232 0.1627236 -0.2367898 -2.9403277 13 N -3.2176097 0.1810057 -0.1375845 0.0228329 -2.3530448 -0.3895134 -0.1571277 -0.2393642 -3.1699530 14 N -3.2176097 -0.1810057 -0.1375845 -0.0228329 -2.3530448 0.3895134 -0.1571277 0.2393642 -3.1699530 15 N -3.2176097 0.1810057 -0.1375845 0.0228329 -2.3530448 -0.3895134 -0.1571277 -0.2393642 -3.1699530 16 N -3.2176097 -0.1810057 -0.1375845 -0.0228329 -2.3530448 0.3895134 -0.1571277 0.2393642 -3.1699530 17 N -3.1377970 0.2050690 0.0198997 -0.0223884 -2.9759411 0.0752165 0.1647920 0.0967077 -2.4592510 18 N -3.1377970 -0.2050690 0.0198997 0.0223884 -2.9759411 -0.0752165 0.1647920 -0.0967077 -2.4592510 19 N -3.1377970 0.2050690 0.0198997 -0.0223884 -2.9759411 0.0752165 0.1647920 0.0967077 -2.4592510 20 N -3.1377970 -0.2050690 0.0198997 0.0223884 -2.9759411 -0.0752165 0.1647920 -0.0967077 -2.4592510 21 N -2.6805726 -0.0969425 0.0817247 -0.1236312 -3.0812296 -0.0030197 0.1220894 0.0663068 -3.0305843 22 N -2.6805726 0.0969425 0.0817247 0.1236312 -3.0812296 0.0030197 0.1220894 -0.0663068 -3.0305843 23 N -2.6805726 -0.0969425 0.0817247 -0.1236312 -3.0812296 -0.0030197 0.1220894 0.0663068 -3.0305843 24 N -2.6805726 0.0969425 0.0817247 0.1236312 -3.0812296 0.0030197 0.1220894 -0.0663068 -3.0305843 25 N -2.9680670 -0.4731983 0.1005990 -0.5164488 -2.3023098 0.2820968 0.0862665 0.2593055 -3.4179278 26 N -2.9680670 0.4731983 0.1005990 0.5164488 -2.3023098 -0.2820968 0.0862665 -0.2593055 -3.4179278 27 N -2.9680670 -0.4731983 0.1005990 -0.5164488 -2.3023098 0.2820968 0.0862665 0.2593055 -3.4179278 28 N -2.9680670 0.4731983 0.1005990 0.5164488 -2.3023098 -0.2820968 0.0862665 -0.2593055 -3.4179278 29 Si 3.1975189 0.0522249 -0.0293726 0.1952192 2.8704833 0.0257666 -0.0251535 0.0757662 3.3235006 30 Si 3.1975189 -0.0522249 -0.0293726 -0.1952192 2.8704833 -0.0257666 -0.0251535 -0.0757662 3.3235006 31 Si 3.1975189 0.0522249 -0.0293726 0.1952192 2.8704833 0.0257666 -0.0251535 0.0757662 3.3235006 32 Si 3.1975189 -0.0522249 -0.0293726 -0.1952192 2.8704833 -0.0257666 -0.0251535 -0.0757662 3.3235006 33 Si 3.1307245 -0.1302290 0.0902496 -0.0321189 2.5658801 0.0568268 0.0546053 -0.0382937 3.1997022 34 Si 3.1307245 0.1302290 0.0902496 0.0321189 2.5658801 -0.0568268 0.0546053 0.0382937 3.1997022 35 Si 3.1307245 -0.1302290 0.0902496 -0.0321189 2.5658801 0.0568268 0.0546053 -0.0382937 3.1997022 36 Si 3.1307245 0.1302290 0.0902496 0.0321189 2.5658801 -0.0568268 0.0546053 0.0382937 3.1997022 37 Si 3.3397803 0.1368278 0.0302126 0.1746372 2.7272551 -0.2653735 -0.0609498 -0.1642328 3.1544856 38 Si 3.3397803 -0.1368278 0.0302126 -0.1746372 2.7272551 0.2653735 -0.0609498 0.1642328 3.1544856 39 Si 3.3397803 0.1368278 0.0302126 0.1746372 2.7272551 -0.2653735 -0.0609498 -0.1642328 3.1544856 40 Si 3.3397803 -0.1368278 0.0302126 -0.1746372 2.7272551 0.2653735 -0.0609498 0.1642328 3.1544856 41 Si 2.9344506 -0.0477380 -0.0018129 -0.0503160 3.5939691 0.0938363 0.0009195 0.0609686 2.8121856 42 Si 2.9344506 0.0477380 -0.0018129 0.0503160 3.5939691 -0.0938363 0.0009195 -0.0609686 2.8121856 43 Si 2.9344506 -0.0477380 -0.0018129 -0.0503160 3.5939691 0.0938363 0.0009195 0.0609686 2.8121856 44 Si 2.9344506 0.0477380 -0.0018129 0.0503160 3.5939691 -0.0938363 0.0009195 -0.0609686 2.8121856 45 Ho 3.9266678 0.2836219 -0.2895646 0.3276302 3.7978002 0.1833364 -0.1924090 0.1766603 3.9061922 46 Ho 3.9266678 -0.2836219 -0.2895646 -0.3276302 3.7978002 -0.1833364 -0.1924090 -0.1766603 3.9061922 47 Ho 3.9266678 0.2836219 -0.2895646 0.3276302 3.7978002 0.1833364 -0.1924090 0.1766603 3.9061922 48 Ho 3.9266678 -0.2836219 -0.2895646 -0.3276302 3.7978002 -0.1833364 -0.1924090 -0.1766603 3.9061922 49 Ho 4.0850718 -0.3652220 0.1904344 -0.3336478 3.4870062 -0.4235547 0.2124844 -0.2694363 3.9008516 50 Ho 4.0850718 0.3652220 0.1904344 0.3336478 3.4870062 0.4235547 0.2124844 0.2694363 3.9008516 51 Ho 4.0850718 -0.3652220 0.1904344 -0.3336478 3.4870062 -0.4235547 0.2124844 -0.2694363 3.9008516 52 Ho 4.0850718 0.3652220 0.1904344 0.3336478 3.4870062 0.4235547 0.2124844 0.2694363 3.9008516 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.554 Solver_block: 200 / 1600 - Time: 1.391 Solver_block: 300 / 1600 - Time: 1.395 Solver_block: 400 / 1600 - Time: 1.395 Solver_block: 500 / 1600 - Time: 1.392 Solver_block: 600 / 1600 - Time: 1.392 Solver_block: 700 / 1600 - Time: 1.393 Solver_block: 800 / 1600 - Time: 1.394 Solver_block: 900 / 1600 - Time: 1.396 Solver_block: 1000 / 1600 - Time: 1.397 Solver_block: 1100 / 1600 - Time: 1.395 Solver_block: 1200 / 1600 - Time: 1.393 Solver_block: 1300 / 1600 - Time: 1.393 Solver_block: 1400 / 1600 - Time: 1.395 Solver_block: 1500 / 1600 - Time: 1.395 Solver_block: 1600 / 1600 - Time: 1.399 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.106 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:07:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:07:35]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.893241990148524 0.000000000000000 0.000000000000000 b 0.000000000000000 9.889894959999999 0.000000000000000 c -5.838262661762177 0.000000000000000 10.283367109924761 Atomic positions (fractional): 1 C 0.02612483083863 0.20936722378045 0.75288660010318 12.011 2 C 0.97387516916137 0.70936722378045 0.74711339989682 12.011 3 C 0.97387516916137 0.79063277621955 0.24711339989682 12.011 4 C 0.02612483083863 0.29063277621955 0.25288660010318 12.011 5 N 0.70216418028759 0.44746111106677 0.63487615435267 14.007 6 N 0.29783581971241 0.94746111106677 0.86512384564733 14.007 7 N 0.29783581971241 0.55253888893323 0.36512384564732 14.007 8 N 0.70216418028759 0.05253888893323 0.13487615435267 14.007 9 N 0.52351888693757 0.23894015332817 0.74804528290499 14.007 10 N 0.47648111306243 0.73894015332817 0.75195471709501 14.007 11 N 0.47648111306243 0.76105984667183 0.25195471709501 14.007 12 N 0.52351888693757 0.26105984667183 0.24804528290499 14.007 13 N 0.50749708169466 0.20962438039035 0.50091692764580 14.007 14 N 0.49250291830534 0.70962438039036 0.99908307235420 14.007 15 N 0.49250291830534 0.79037561960964 0.49908307235420 14.007 16 N 0.50749708169466 0.29037561960964 0.00091692764580 14.007 17 N 0.24817092510462 0.46662771182251 0.72458119302254 14.007 18 N 0.75182907489538 0.96662771182250 0.77541880697746 14.007 19 N 0.75182907489538 0.53337228817750 0.27541880697746 14.007 20 N 0.24817092510462 0.03337228817749 0.22458119302254 14.007 21 N 0.05815927448588 0.45582931158733 0.89987029195892 14.007 22 N 0.94184072551412 0.95582931158733 0.60012970804108 14.007 23 N 0.94184072551412 0.54417068841267 0.10012970804108 14.007 24 N 0.05815927448588 0.04417068841267 0.39987029195892 14.007 25 N 0.04005284015196 0.21042144784293 0.00940459431468 14.007 26 N 0.95994715984804 0.71042144784293 0.49059540568532 14.007 27 N 0.95994715984804 0.78957855215707 0.99059540568532 14.007 28 N 0.04005284015196 0.28957855215707 0.50940459431468 14.007 29 Si 0.67989916087398 0.27338167202251 0.65907985500676 28.085 30 Si 0.32010083912602 0.77338167202251 0.84092014499324 28.085 31 Si 0.32010083912602 0.72661832797749 0.34092014499324 28.085 32 Si 0.67989916087398 0.22661832797749 0.15907985500676 28.085 33 Si 0.20364157624003 0.29621532291318 0.67698943232572 28.085 34 Si 0.79635842375997 0.79621532291318 0.82301056767428 28.085 35 Si 0.79635842375997 0.70378467708682 0.32301056767428 28.085 36 Si 0.20364157624003 0.20378467708682 0.17698943232572 28.085 37 Si 0.16502516550312 0.28748706185729 0.92064004954531 28.085 38 Si 0.83497483449688 0.78748706185729 0.57935995045469 28.085 39 Si 0.83497483449688 0.71251293814271 0.07935995045469 28.085 40 Si 0.16502516550312 0.21251293814271 0.42064004954531 28.085 41 Si 0.00369588087130 0.02152869406336 0.74954524514969 28.085 42 Si 0.99630411912870 0.52152869406336 0.75045475485031 28.085 43 Si 0.99630411912870 0.97847130593664 0.25045475485031 28.085 44 Si 0.00369588087130 0.47847130593664 0.24954524514969 28.085 45 Ho 0.65475683942414 0.08767197978797 0.91762881174353 164.930 46 Ho 0.34524316057586 0.58767197978797 0.58237118825647 164.930 47 Ho 0.34524316057586 0.91232802021203 0.08237118825646 164.930 48 Ho 0.65475683942414 0.41232802021203 0.41762881174354 164.930 49 Ho 0.32921151007816 0.93298702140593 0.59440348757799 164.930 50 Ho 0.67078848992184 0.43298702140593 0.90559651242201 164.930 51 Ho 0.67078848992184 0.06701297859407 0.40559651242201 164.930 52 Ho 0.32921151007816 0.56701297859407 0.09440348757799 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.786483980297048 0.000000000000000 0.000000000000000 b 0.000000000000000 9.889894959999999 0.000000000000000 c -5.838262661762177 0.000000000000000 10.283367109924761 Atomic positions (fractional): 1 C 0.01306241541932 0.20936722378045 0.75288660010318 12.011 > 1 2 C 0.51306241541931 0.20936722378045 0.75288660010318 12.011 > 1 3 C 0.48693758458068 0.70936722378045 0.74711339989682 12.011 > 3 4 C 0.98693758458068 0.70936722378045 0.74711339989682 12.011 > 3 5 C 0.48693758458068 0.79063277621955 0.24711339989682 12.011 > 5 6 C 0.98693758458068 0.79063277621955 0.24711339989682 12.011 > 5 7 C 0.01306241541932 0.29063277621955 0.25288660010318 12.011 > 7 8 C 0.51306241541931 0.29063277621955 0.25288660010318 12.011 > 7 9 N 0.35108209014380 0.44746111106677 0.63487615435267 14.007 > 9 10 N 0.85108209014380 0.44746111106677 0.63487615435267 14.007 > 9 11 N 0.14891790985620 0.94746111106677 0.86512384564733 14.007 > 11 12 N 0.64891790985620 0.94746111106677 0.86512384564733 14.007 > 11 13 N 0.14891790985620 0.55253888893323 0.36512384564732 14.007 > 13 14 N 0.64891790985620 0.55253888893323 0.36512384564732 14.007 > 13 15 N 0.35108209014380 0.05253888893323 0.13487615435267 14.007 > 15 16 N 0.85108209014380 0.05253888893323 0.13487615435267 14.007 > 15 17 N 0.26175944346878 0.23894015332817 0.74804528290499 14.007 > 17 18 N 0.76175944346878 0.23894015332817 0.74804528290499 14.007 > 17 19 N 0.23824055653122 0.73894015332817 0.75195471709501 14.007 > 19 20 N 0.73824055653122 0.73894015332817 0.75195471709501 14.007 > 19 21 N 0.23824055653122 0.76105984667183 0.25195471709501 14.007 > 21 22 N 0.73824055653122 0.76105984667183 0.25195471709501 14.007 > 21 23 N 0.26175944346878 0.26105984667183 0.24804528290499 14.007 > 23 24 N 0.76175944346878 0.26105984667183 0.24804528290499 14.007 > 23 25 N 0.25374854084733 0.20962438039035 0.50091692764580 14.007 > 25 26 N 0.75374854084733 0.20962438039035 0.50091692764580 14.007 > 25 27 N 0.24625145915267 0.70962438039036 0.99908307235420 14.007 > 27 28 N 0.74625145915267 0.70962438039036 0.99908307235420 14.007 > 27 29 N 0.24625145915267 0.79037561960964 0.49908307235420 14.007 > 29 30 N 0.74625145915267 0.79037561960964 0.49908307235420 14.007 > 29 31 N 0.25374854084733 0.29037561960964 0.00091692764580 14.007 > 31 32 N 0.75374854084733 0.29037561960964 0.00091692764580 14.007 > 31 33 N 0.12408546255231 0.46662771182251 0.72458119302254 14.007 > 33 34 N 0.62408546255231 0.46662771182251 0.72458119302254 14.007 > 33 35 N 0.37591453744769 0.96662771182250 0.77541880697746 14.007 > 35 36 N 0.87591453744769 0.96662771182250 0.77541880697746 14.007 > 35 37 N 0.37591453744769 0.53337228817750 0.27541880697746 14.007 > 37 38 N 0.87591453744769 0.53337228817750 0.27541880697746 14.007 > 37 39 N 0.12408546255231 0.03337228817749 0.22458119302254 14.007 > 39 40 N 0.62408546255231 0.03337228817749 0.22458119302254 14.007 > 39 41 N 0.02907963724294 0.45582931158733 0.89987029195892 14.007 > 41 42 N 0.52907963724294 0.45582931158733 0.89987029195892 14.007 > 41 43 N 0.47092036275706 0.95582931158733 0.60012970804108 14.007 > 43 44 N 0.97092036275706 0.95582931158733 0.60012970804108 14.007 > 43 45 N 0.47092036275706 0.54417068841267 0.10012970804108 14.007 > 45 46 N 0.97092036275706 0.54417068841267 0.10012970804108 14.007 > 45 47 N 0.02907963724294 0.04417068841267 0.39987029195892 14.007 > 47 48 N 0.52907963724294 0.04417068841267 0.39987029195892 14.007 > 47 49 N 0.02002642007598 0.21042144784293 0.00940459431468 14.007 > 49 50 N 0.52002642007598 0.21042144784293 0.00940459431468 14.007 > 49 51 N 0.47997357992402 0.71042144784293 0.49059540568532 14.007 > 51 52 N 0.97997357992402 0.71042144784293 0.49059540568532 14.007 > 51 53 N 0.47997357992402 0.78957855215707 0.99059540568532 14.007 > 53 54 N 0.97997357992402 0.78957855215707 0.99059540568532 14.007 > 53 55 N 0.02002642007598 0.28957855215707 0.50940459431468 14.007 > 55 56 N 0.52002642007598 0.28957855215707 0.50940459431468 14.007 > 55 57 Si 0.33994958043699 0.27338167202251 0.65907985500676 28.085 > 57 58 Si 0.83994958043699 0.27338167202251 0.65907985500676 28.085 > 57 59 Si 0.16005041956301 0.77338167202251 0.84092014499324 28.085 > 59 60 Si 0.66005041956301 0.77338167202251 0.84092014499324 28.085 > 59 61 Si 0.16005041956301 0.72661832797749 0.34092014499324 28.085 > 61 62 Si 0.66005041956301 0.72661832797749 0.34092014499324 28.085 > 61 63 Si 0.33994958043699 0.22661832797749 0.15907985500676 28.085 > 63 64 Si 0.83994958043699 0.22661832797749 0.15907985500676 28.085 > 63 65 Si 0.10182078812002 0.29621532291318 0.67698943232572 28.085 > 65 66 Si 0.60182078812002 0.29621532291318 0.67698943232572 28.085 > 65 67 Si 0.39817921187998 0.79621532291318 0.82301056767428 28.085 > 67 68 Si 0.89817921187998 0.79621532291318 0.82301056767428 28.085 > 67 69 Si 0.39817921187998 0.70378467708682 0.32301056767428 28.085 > 69 70 Si 0.89817921187998 0.70378467708682 0.32301056767428 28.085 > 69 71 Si 0.10182078812002 0.20378467708682 0.17698943232572 28.085 > 71 72 Si 0.60182078812002 0.20378467708682 0.17698943232572 28.085 > 71 73 Si 0.08251258275156 0.28748706185729 0.92064004954531 28.085 > 73 74 Si 0.58251258275156 0.28748706185729 0.92064004954531 28.085 > 73 75 Si 0.41748741724844 0.78748706185729 0.57935995045469 28.085 > 75 76 Si 0.91748741724844 0.78748706185729 0.57935995045469 28.085 > 75 77 Si 0.41748741724844 0.71251293814271 0.07935995045469 28.085 > 77 78 Si 0.91748741724844 0.71251293814271 0.07935995045469 28.085 > 77 79 Si 0.08251258275156 0.21251293814271 0.42064004954531 28.085 > 79 80 Si 0.58251258275156 0.21251293814271 0.42064004954531 28.085 > 79 81 Si 0.00184794043565 0.02152869406336 0.74954524514969 28.085 > 81 82 Si 0.50184794043565 0.02152869406336 0.74954524514969 28.085 > 81 83 Si 0.49815205956435 0.52152869406336 0.75045475485031 28.085 > 83 84 Si 0.99815205956435 0.52152869406336 0.75045475485031 28.085 > 83 85 Si 0.49815205956435 0.97847130593664 0.25045475485031 28.085 > 85 86 Si 0.99815205956435 0.97847130593664 0.25045475485031 28.085 > 85 87 Si 0.00184794043565 0.47847130593664 0.24954524514969 28.085 > 87 88 Si 0.50184794043565 0.47847130593664 0.24954524514969 28.085 > 87 89 Ho 0.32737841971207 0.08767197978797 0.91762881174353 164.930 > 89 90 Ho 0.82737841971207 0.08767197978797 0.91762881174353 164.930 > 89 91 Ho 0.17262158028793 0.58767197978797 0.58237118825647 164.930 > 91 92 Ho 0.67262158028793 0.58767197978797 0.58237118825647 164.930 > 91 93 Ho 0.17262158028793 0.91232802021203 0.08237118825646 164.930 > 93 94 Ho 0.67262158028793 0.91232802021203 0.08237118825646 164.930 > 93 95 Ho 0.32737841971207 0.41232802021203 0.41762881174354 164.930 > 95 96 Ho 0.82737841971207 0.41232802021203 0.41762881174354 164.930 > 95 97 Ho 0.16460575503908 0.93298702140593 0.59440348757799 164.930 > 97 98 Ho 0.66460575503908 0.93298702140593 0.59440348757799 164.930 > 97 99 Ho 0.33539424496092 0.43298702140593 0.90559651242201 164.930 > 99 100 Ho 0.83539424496092 0.43298702140593 0.90559651242201 164.930 > 99 101 Ho 0.33539424496092 0.06701297859407 0.40559651242201 164.930 > 101 102 Ho 0.83539424496092 0.06701297859407 0.40559651242201 164.930 > 101 103 Ho 0.16460575503908 0.56701297859407 0.09440348757799 164.930 > 103 104 Ho 0.66460575503908 0.56701297859407 0.09440348757799 164.930 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8064954 0.0000000 -0.0117586 0.0000000 5.6033038 0.0000000 -0.0117531 0.0000000 5.7378528 -------------------------- Born effective charges -------------------------- 1 C -2.4936174 -0.0402088 -0.0483698 -0.0636344 -2.6846474 0.0254142 -0.1057508 -0.0126247 -2.4846984 2 C -2.4936174 0.0402088 -0.0483698 0.0636344 -2.6846474 -0.0254142 -0.1057508 0.0126247 -2.4846984 3 C -2.4936174 -0.0402088 -0.0483698 -0.0636344 -2.6846474 0.0254142 -0.1057508 -0.0126247 -2.4846984 4 C -2.4936174 0.0402088 -0.0483698 0.0636344 -2.6846474 -0.0254142 -0.1057508 0.0126247 -2.4846984 5 N -2.8261683 0.0084157 -0.1962103 0.2050956 -3.2750506 -0.0865257 -0.2624897 -0.1110721 -2.7941757 6 N -2.8261683 -0.0084157 -0.1962103 -0.2050956 -3.2750506 0.0865257 -0.2624897 0.1110721 -2.7941757 7 N -2.8261683 0.0084157 -0.1962103 0.2050956 -3.2750506 -0.0865257 -0.2624897 -0.1110721 -2.7941757 8 N -2.8261683 -0.0084157 -0.1962103 -0.2050956 -3.2750506 0.0865257 -0.2624897 0.1110721 -2.7941757 9 N -3.2903819 -0.1071444 0.1897948 0.0387278 -2.3701707 0.2745232 0.1627236 0.2367898 -2.9403277 10 N -3.2903819 0.1071444 0.1897948 -0.0387278 -2.3701707 -0.2745232 0.1627236 -0.2367898 -2.9403277 11 N -3.2903819 -0.1071444 0.1897948 0.0387278 -2.3701707 0.2745232 0.1627236 0.2367898 -2.9403277 12 N -3.2903819 0.1071444 0.1897948 -0.0387278 -2.3701707 -0.2745232 0.1627236 -0.2367898 -2.9403277 13 N -3.2176097 0.1810057 -0.1375845 0.0228329 -2.3530448 -0.3895134 -0.1571277 -0.2393642 -3.1699530 14 N -3.2176097 -0.1810057 -0.1375845 -0.0228329 -2.3530448 0.3895134 -0.1571277 0.2393642 -3.1699530 15 N -3.2176097 0.1810057 -0.1375845 0.0228329 -2.3530448 -0.3895134 -0.1571277 -0.2393642 -3.1699530 16 N -3.2176097 -0.1810057 -0.1375845 -0.0228329 -2.3530448 0.3895134 -0.1571277 0.2393642 -3.1699530 17 N -3.1377970 0.2050690 0.0198997 -0.0223884 -2.9759411 0.0752165 0.1647920 0.0967077 -2.4592510 18 N -3.1377970 -0.2050690 0.0198997 0.0223884 -2.9759411 -0.0752165 0.1647920 -0.0967077 -2.4592510 19 N -3.1377970 0.2050690 0.0198997 -0.0223884 -2.9759411 0.0752165 0.1647920 0.0967077 -2.4592510 20 N -3.1377970 -0.2050690 0.0198997 0.0223884 -2.9759411 -0.0752165 0.1647920 -0.0967077 -2.4592510 21 N -2.6805726 -0.0969425 0.0817247 -0.1236312 -3.0812296 -0.0030197 0.1220894 0.0663068 -3.0305843 22 N -2.6805726 0.0969425 0.0817247 0.1236312 -3.0812296 0.0030197 0.1220894 -0.0663068 -3.0305843 23 N -2.6805726 -0.0969425 0.0817247 -0.1236312 -3.0812296 -0.0030197 0.1220894 0.0663068 -3.0305843 24 N -2.6805726 0.0969425 0.0817247 0.1236312 -3.0812296 0.0030197 0.1220894 -0.0663068 -3.0305843 25 N -2.9680670 -0.4731983 0.1005990 -0.5164488 -2.3023098 0.2820968 0.0862665 0.2593055 -3.4179278 26 N -2.9680670 0.4731983 0.1005990 0.5164488 -2.3023098 -0.2820968 0.0862665 -0.2593055 -3.4179278 27 N -2.9680670 -0.4731983 0.1005990 -0.5164488 -2.3023098 0.2820968 0.0862665 0.2593055 -3.4179278 28 N -2.9680670 0.4731983 0.1005990 0.5164488 -2.3023098 -0.2820968 0.0862665 -0.2593055 -3.4179278 29 Si 3.1975189 0.0522249 -0.0293726 0.1952192 2.8704833 0.0257666 -0.0251535 0.0757662 3.3235006 30 Si 3.1975189 -0.0522249 -0.0293726 -0.1952192 2.8704833 -0.0257666 -0.0251535 -0.0757662 3.3235006 31 Si 3.1975189 0.0522249 -0.0293726 0.1952192 2.8704833 0.0257666 -0.0251535 0.0757662 3.3235006 32 Si 3.1975189 -0.0522249 -0.0293726 -0.1952192 2.8704833 -0.0257666 -0.0251535 -0.0757662 3.3235006 33 Si 3.1307245 -0.1302290 0.0902496 -0.0321189 2.5658801 0.0568268 0.0546053 -0.0382937 3.1997022 34 Si 3.1307245 0.1302290 0.0902496 0.0321189 2.5658801 -0.0568268 0.0546053 0.0382937 3.1997022 35 Si 3.1307245 -0.1302290 0.0902496 -0.0321189 2.5658801 0.0568268 0.0546053 -0.0382937 3.1997022 36 Si 3.1307245 0.1302290 0.0902496 0.0321189 2.5658801 -0.0568268 0.0546053 0.0382937 3.1997022 37 Si 3.3397803 0.1368278 0.0302126 0.1746372 2.7272551 -0.2653735 -0.0609498 -0.1642328 3.1544856 38 Si 3.3397803 -0.1368278 0.0302126 -0.1746372 2.7272551 0.2653735 -0.0609498 0.1642328 3.1544856 39 Si 3.3397803 0.1368278 0.0302126 0.1746372 2.7272551 -0.2653735 -0.0609498 -0.1642328 3.1544856 40 Si 3.3397803 -0.1368278 0.0302126 -0.1746372 2.7272551 0.2653735 -0.0609498 0.1642328 3.1544856 41 Si 2.9344506 -0.0477380 -0.0018129 -0.0503160 3.5939691 0.0938363 0.0009195 0.0609686 2.8121856 42 Si 2.9344506 0.0477380 -0.0018129 0.0503160 3.5939691 -0.0938363 0.0009195 -0.0609686 2.8121856 43 Si 2.9344506 -0.0477380 -0.0018129 -0.0503160 3.5939691 0.0938363 0.0009195 0.0609686 2.8121856 44 Si 2.9344506 0.0477380 -0.0018129 0.0503160 3.5939691 -0.0938363 0.0009195 -0.0609686 2.8121856 45 Ho 3.9266678 0.2836219 -0.2895646 0.3276302 3.7978002 0.1833364 -0.1924090 0.1766603 3.9061922 46 Ho 3.9266678 -0.2836219 -0.2895646 -0.3276302 3.7978002 -0.1833364 -0.1924090 -0.1766603 3.9061922 47 Ho 3.9266678 0.2836219 -0.2895646 0.3276302 3.7978002 0.1833364 -0.1924090 0.1766603 3.9061922 48 Ho 3.9266678 -0.2836219 -0.2895646 -0.3276302 3.7978002 -0.1833364 -0.1924090 -0.1766603 3.9061922 49 Ho 4.0850718 -0.3652220 0.1904344 -0.3336478 3.4870062 -0.4235547 0.2124844 -0.2694363 3.9008516 50 Ho 4.0850718 0.3652220 0.1904344 0.3336478 3.4870062 0.4235547 0.2124844 0.2694363 3.9008516 51 Ho 4.0850718 -0.3652220 0.1904344 -0.3336478 3.4870062 -0.4235547 0.2124844 -0.2694363 3.9008516 52 Ho 4.0850718 0.3652220 0.1904344 0.3336478 3.4870062 0.4235547 0.2124844 0.2694363 3.9008516 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 81, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 89, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 97, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:08:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:08:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.893241990148524 0.000000000000000 0.000000000000000 b 0.000000000000000 9.889894959999999 0.000000000000000 c -5.838262661762177 0.000000000000000 10.283367109924761 Atomic positions (fractional): 1 C 0.02612483083863 0.20936722378045 0.75288660010318 12.011 2 C 0.97387516916137 0.70936722378045 0.74711339989682 12.011 3 C 0.97387516916137 0.79063277621955 0.24711339989682 12.011 4 C 0.02612483083863 0.29063277621955 0.25288660010318 12.011 5 N 0.70216418028759 0.44746111106677 0.63487615435267 14.007 6 N 0.29783581971241 0.94746111106677 0.86512384564733 14.007 7 N 0.29783581971241 0.55253888893323 0.36512384564732 14.007 8 N 0.70216418028759 0.05253888893323 0.13487615435267 14.007 9 N 0.52351888693757 0.23894015332817 0.74804528290499 14.007 10 N 0.47648111306243 0.73894015332817 0.75195471709501 14.007 11 N 0.47648111306243 0.76105984667183 0.25195471709501 14.007 12 N 0.52351888693757 0.26105984667183 0.24804528290499 14.007 13 N 0.50749708169466 0.20962438039035 0.50091692764580 14.007 14 N 0.49250291830534 0.70962438039036 0.99908307235420 14.007 15 N 0.49250291830534 0.79037561960964 0.49908307235420 14.007 16 N 0.50749708169466 0.29037561960964 0.00091692764580 14.007 17 N 0.24817092510462 0.46662771182251 0.72458119302254 14.007 18 N 0.75182907489538 0.96662771182250 0.77541880697746 14.007 19 N 0.75182907489538 0.53337228817750 0.27541880697746 14.007 20 N 0.24817092510462 0.03337228817749 0.22458119302254 14.007 21 N 0.05815927448588 0.45582931158733 0.89987029195892 14.007 22 N 0.94184072551412 0.95582931158733 0.60012970804108 14.007 23 N 0.94184072551412 0.54417068841267 0.10012970804108 14.007 24 N 0.05815927448588 0.04417068841267 0.39987029195892 14.007 25 N 0.04005284015196 0.21042144784293 0.00940459431468 14.007 26 N 0.95994715984804 0.71042144784293 0.49059540568532 14.007 27 N 0.95994715984804 0.78957855215707 0.99059540568532 14.007 28 N 0.04005284015196 0.28957855215707 0.50940459431468 14.007 29 Si 0.67989916087398 0.27338167202251 0.65907985500676 28.085 30 Si 0.32010083912602 0.77338167202251 0.84092014499324 28.085 31 Si 0.32010083912602 0.72661832797749 0.34092014499324 28.085 32 Si 0.67989916087398 0.22661832797749 0.15907985500676 28.085 33 Si 0.20364157624003 0.29621532291318 0.67698943232572 28.085 34 Si 0.79635842375997 0.79621532291318 0.82301056767428 28.085 35 Si 0.79635842375997 0.70378467708682 0.32301056767428 28.085 36 Si 0.20364157624003 0.20378467708682 0.17698943232572 28.085 37 Si 0.16502516550312 0.28748706185729 0.92064004954531 28.085 38 Si 0.83497483449688 0.78748706185729 0.57935995045469 28.085 39 Si 0.83497483449688 0.71251293814271 0.07935995045469 28.085 40 Si 0.16502516550312 0.21251293814271 0.42064004954531 28.085 41 Si 0.00369588087130 0.02152869406336 0.74954524514969 28.085 42 Si 0.99630411912870 0.52152869406336 0.75045475485031 28.085 43 Si 0.99630411912870 0.97847130593664 0.25045475485031 28.085 44 Si 0.00369588087130 0.47847130593664 0.24954524514969 28.085 45 Ho 0.65475683942414 0.08767197978797 0.91762881174353 164.930 46 Ho 0.34524316057586 0.58767197978797 0.58237118825647 164.930 47 Ho 0.34524316057586 0.91232802021203 0.08237118825646 164.930 48 Ho 0.65475683942414 0.41232802021203 0.41762881174354 164.930 49 Ho 0.32921151007816 0.93298702140593 0.59440348757799 164.930 50 Ho 0.67078848992184 0.43298702140593 0.90559651242201 164.930 51 Ho 0.67078848992184 0.06701297859407 0.40559651242201 164.930 52 Ho 0.32921151007816 0.56701297859407 0.09440348757799 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.786483980297048 0.000000000000000 0.000000000000000 b 0.000000000000000 9.889894959999999 0.000000000000000 c -5.838262661762177 0.000000000000000 10.283367109924761 Atomic positions (fractional): 1 C 0.01306241541932 0.20936722378045 0.75288660010318 12.011 > 1 2 C 0.51306241541931 0.20936722378045 0.75288660010318 12.011 > 1 3 C 0.48693758458068 0.70936722378045 0.74711339989682 12.011 > 3 4 C 0.98693758458068 0.70936722378045 0.74711339989682 12.011 > 3 5 C 0.48693758458068 0.79063277621955 0.24711339989682 12.011 > 5 6 C 0.98693758458068 0.79063277621955 0.24711339989682 12.011 > 5 7 C 0.01306241541932 0.29063277621955 0.25288660010318 12.011 > 7 8 C 0.51306241541931 0.29063277621955 0.25288660010318 12.011 > 7 9 N 0.35108209014380 0.44746111106677 0.63487615435267 14.007 > 9 10 N 0.85108209014380 0.44746111106677 0.63487615435267 14.007 > 9 11 N 0.14891790985620 0.94746111106677 0.86512384564733 14.007 > 11 12 N 0.64891790985620 0.94746111106677 0.86512384564733 14.007 > 11 13 N 0.14891790985620 0.55253888893323 0.36512384564732 14.007 > 13 14 N 0.64891790985620 0.55253888893323 0.36512384564732 14.007 > 13 15 N 0.35108209014380 0.05253888893323 0.13487615435267 14.007 > 15 16 N 0.85108209014380 0.05253888893323 0.13487615435267 14.007 > 15 17 N 0.26175944346878 0.23894015332817 0.74804528290499 14.007 > 17 18 N 0.76175944346878 0.23894015332817 0.74804528290499 14.007 > 17 19 N 0.23824055653122 0.73894015332817 0.75195471709501 14.007 > 19 20 N 0.73824055653122 0.73894015332817 0.75195471709501 14.007 > 19 21 N 0.23824055653122 0.76105984667183 0.25195471709501 14.007 > 21 22 N 0.73824055653122 0.76105984667183 0.25195471709501 14.007 > 21 23 N 0.26175944346878 0.26105984667183 0.24804528290499 14.007 > 23 24 N 0.76175944346878 0.26105984667183 0.24804528290499 14.007 > 23 25 N 0.25374854084733 0.20962438039035 0.50091692764580 14.007 > 25 26 N 0.75374854084733 0.20962438039035 0.50091692764580 14.007 > 25 27 N 0.24625145915267 0.70962438039036 0.99908307235420 14.007 > 27 28 N 0.74625145915267 0.70962438039036 0.99908307235420 14.007 > 27 29 N 0.24625145915267 0.79037561960964 0.49908307235420 14.007 > 29 30 N 0.74625145915267 0.79037561960964 0.49908307235420 14.007 > 29 31 N 0.25374854084733 0.29037561960964 0.00091692764580 14.007 > 31 32 N 0.75374854084733 0.29037561960964 0.00091692764580 14.007 > 31 33 N 0.12408546255231 0.46662771182251 0.72458119302254 14.007 > 33 34 N 0.62408546255231 0.46662771182251 0.72458119302254 14.007 > 33 35 N 0.37591453744769 0.96662771182250 0.77541880697746 14.007 > 35 36 N 0.87591453744769 0.96662771182250 0.77541880697746 14.007 > 35 37 N 0.37591453744769 0.53337228817750 0.27541880697746 14.007 > 37 38 N 0.87591453744769 0.53337228817750 0.27541880697746 14.007 > 37 39 N 0.12408546255231 0.03337228817749 0.22458119302254 14.007 > 39 40 N 0.62408546255231 0.03337228817749 0.22458119302254 14.007 > 39 41 N 0.02907963724294 0.45582931158733 0.89987029195892 14.007 > 41 42 N 0.52907963724294 0.45582931158733 0.89987029195892 14.007 > 41 43 N 0.47092036275706 0.95582931158733 0.60012970804108 14.007 > 43 44 N 0.97092036275706 0.95582931158733 0.60012970804108 14.007 > 43 45 N 0.47092036275706 0.54417068841267 0.10012970804108 14.007 > 45 46 N 0.97092036275706 0.54417068841267 0.10012970804108 14.007 > 45 47 N 0.02907963724294 0.04417068841267 0.39987029195892 14.007 > 47 48 N 0.52907963724294 0.04417068841267 0.39987029195892 14.007 > 47 49 N 0.02002642007598 0.21042144784293 0.00940459431468 14.007 > 49 50 N 0.52002642007598 0.21042144784293 0.00940459431468 14.007 > 49 51 N 0.47997357992402 0.71042144784293 0.49059540568532 14.007 > 51 52 N 0.97997357992402 0.71042144784293 0.49059540568532 14.007 > 51 53 N 0.47997357992402 0.78957855215707 0.99059540568532 14.007 > 53 54 N 0.97997357992402 0.78957855215707 0.99059540568532 14.007 > 53 55 N 0.02002642007598 0.28957855215707 0.50940459431468 14.007 > 55 56 N 0.52002642007598 0.28957855215707 0.50940459431468 14.007 > 55 57 Si 0.33994958043699 0.27338167202251 0.65907985500676 28.085 > 57 58 Si 0.83994958043699 0.27338167202251 0.65907985500676 28.085 > 57 59 Si 0.16005041956301 0.77338167202251 0.84092014499324 28.085 > 59 60 Si 0.66005041956301 0.77338167202251 0.84092014499324 28.085 > 59 61 Si 0.16005041956301 0.72661832797749 0.34092014499324 28.085 > 61 62 Si 0.66005041956301 0.72661832797749 0.34092014499324 28.085 > 61 63 Si 0.33994958043699 0.22661832797749 0.15907985500676 28.085 > 63 64 Si 0.83994958043699 0.22661832797749 0.15907985500676 28.085 > 63 65 Si 0.10182078812002 0.29621532291318 0.67698943232572 28.085 > 65 66 Si 0.60182078812002 0.29621532291318 0.67698943232572 28.085 > 65 67 Si 0.39817921187998 0.79621532291318 0.82301056767428 28.085 > 67 68 Si 0.89817921187998 0.79621532291318 0.82301056767428 28.085 > 67 69 Si 0.39817921187998 0.70378467708682 0.32301056767428 28.085 > 69 70 Si 0.89817921187998 0.70378467708682 0.32301056767428 28.085 > 69 71 Si 0.10182078812002 0.20378467708682 0.17698943232572 28.085 > 71 72 Si 0.60182078812002 0.20378467708682 0.17698943232572 28.085 > 71 73 Si 0.08251258275156 0.28748706185729 0.92064004954531 28.085 > 73 74 Si 0.58251258275156 0.28748706185729 0.92064004954531 28.085 > 73 75 Si 0.41748741724844 0.78748706185729 0.57935995045469 28.085 > 75 76 Si 0.91748741724844 0.78748706185729 0.57935995045469 28.085 > 75 77 Si 0.41748741724844 0.71251293814271 0.07935995045469 28.085 > 77 78 Si 0.91748741724844 0.71251293814271 0.07935995045469 28.085 > 77 79 Si 0.08251258275156 0.21251293814271 0.42064004954531 28.085 > 79 80 Si 0.58251258275156 0.21251293814271 0.42064004954531 28.085 > 79 81 Si 0.00184794043565 0.02152869406336 0.74954524514969 28.085 > 81 82 Si 0.50184794043565 0.02152869406336 0.74954524514969 28.085 > 81 83 Si 0.49815205956435 0.52152869406336 0.75045475485031 28.085 > 83 84 Si 0.99815205956435 0.52152869406336 0.75045475485031 28.085 > 83 85 Si 0.49815205956435 0.97847130593664 0.25045475485031 28.085 > 85 86 Si 0.99815205956435 0.97847130593664 0.25045475485031 28.085 > 85 87 Si 0.00184794043565 0.47847130593664 0.24954524514969 28.085 > 87 88 Si 0.50184794043565 0.47847130593664 0.24954524514969 28.085 > 87 89 Ho 0.32737841971207 0.08767197978797 0.91762881174353 164.930 > 89 90 Ho 0.82737841971207 0.08767197978797 0.91762881174353 164.930 > 89 91 Ho 0.17262158028793 0.58767197978797 0.58237118825647 164.930 > 91 92 Ho 0.67262158028793 0.58767197978797 0.58237118825647 164.930 > 91 93 Ho 0.17262158028793 0.91232802021203 0.08237118825646 164.930 > 93 94 Ho 0.67262158028793 0.91232802021203 0.08237118825646 164.930 > 93 95 Ho 0.32737841971207 0.41232802021203 0.41762881174354 164.930 > 95 96 Ho 0.82737841971207 0.41232802021203 0.41762881174354 164.930 > 95 97 Ho 0.16460575503908 0.93298702140593 0.59440348757799 164.930 > 97 98 Ho 0.66460575503908 0.93298702140593 0.59440348757799 164.930 > 97 99 Ho 0.33539424496092 0.43298702140593 0.90559651242201 164.930 > 99 100 Ho 0.83539424496092 0.43298702140593 0.90559651242201 164.930 > 99 101 Ho 0.33539424496092 0.06701297859407 0.40559651242201 164.930 > 101 102 Ho 0.83539424496092 0.06701297859407 0.40559651242201 164.930 > 101 103 Ho 0.16460575503908 0.56701297859407 0.09440348757799 164.930 > 103 104 Ho 0.66460575503908 0.56701297859407 0.09440348757799 164.930 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8064954 0.0000000 -0.0117586 0.0000000 5.6033038 0.0000000 -0.0117531 0.0000000 5.7378528 -------------------------- Born effective charges -------------------------- 1 C -2.4936174 -0.0402088 -0.0483698 -0.0636344 -2.6846474 0.0254142 -0.1057508 -0.0126247 -2.4846984 2 C -2.4936174 0.0402088 -0.0483698 0.0636344 -2.6846474 -0.0254142 -0.1057508 0.0126247 -2.4846984 3 C -2.4936174 -0.0402088 -0.0483698 -0.0636344 -2.6846474 0.0254142 -0.1057508 -0.0126247 -2.4846984 4 C -2.4936174 0.0402088 -0.0483698 0.0636344 -2.6846474 -0.0254142 -0.1057508 0.0126247 -2.4846984 5 N -2.8261683 0.0084157 -0.1962103 0.2050956 -3.2750506 -0.0865257 -0.2624897 -0.1110721 -2.7941757 6 N -2.8261683 -0.0084157 -0.1962103 -0.2050956 -3.2750506 0.0865257 -0.2624897 0.1110721 -2.7941757 7 N -2.8261683 0.0084157 -0.1962103 0.2050956 -3.2750506 -0.0865257 -0.2624897 -0.1110721 -2.7941757 8 N -2.8261683 -0.0084157 -0.1962103 -0.2050956 -3.2750506 0.0865257 -0.2624897 0.1110721 -2.7941757 9 N -3.2903819 -0.1071444 0.1897948 0.0387278 -2.3701707 0.2745232 0.1627236 0.2367898 -2.9403277 10 N -3.2903819 0.1071444 0.1897948 -0.0387278 -2.3701707 -0.2745232 0.1627236 -0.2367898 -2.9403277 11 N -3.2903819 -0.1071444 0.1897948 0.0387278 -2.3701707 0.2745232 0.1627236 0.2367898 -2.9403277 12 N -3.2903819 0.1071444 0.1897948 -0.0387278 -2.3701707 -0.2745232 0.1627236 -0.2367898 -2.9403277 13 N -3.2176097 0.1810057 -0.1375845 0.0228329 -2.3530448 -0.3895134 -0.1571277 -0.2393642 -3.1699530 14 N -3.2176097 -0.1810057 -0.1375845 -0.0228329 -2.3530448 0.3895134 -0.1571277 0.2393642 -3.1699530 15 N -3.2176097 0.1810057 -0.1375845 0.0228329 -2.3530448 -0.3895134 -0.1571277 -0.2393642 -3.1699530 16 N -3.2176097 -0.1810057 -0.1375845 -0.0228329 -2.3530448 0.3895134 -0.1571277 0.2393642 -3.1699530 17 N -3.1377970 0.2050690 0.0198997 -0.0223884 -2.9759411 0.0752165 0.1647920 0.0967077 -2.4592510 18 N -3.1377970 -0.2050690 0.0198997 0.0223884 -2.9759411 -0.0752165 0.1647920 -0.0967077 -2.4592510 19 N -3.1377970 0.2050690 0.0198997 -0.0223884 -2.9759411 0.0752165 0.1647920 0.0967077 -2.4592510 20 N -3.1377970 -0.2050690 0.0198997 0.0223884 -2.9759411 -0.0752165 0.1647920 -0.0967077 -2.4592510 21 N -2.6805726 -0.0969425 0.0817247 -0.1236312 -3.0812296 -0.0030197 0.1220894 0.0663068 -3.0305843 22 N -2.6805726 0.0969425 0.0817247 0.1236312 -3.0812296 0.0030197 0.1220894 -0.0663068 -3.0305843 23 N -2.6805726 -0.0969425 0.0817247 -0.1236312 -3.0812296 -0.0030197 0.1220894 0.0663068 -3.0305843 24 N -2.6805726 0.0969425 0.0817247 0.1236312 -3.0812296 0.0030197 0.1220894 -0.0663068 -3.0305843 25 N -2.9680670 -0.4731983 0.1005990 -0.5164488 -2.3023098 0.2820968 0.0862665 0.2593055 -3.4179278 26 N -2.9680670 0.4731983 0.1005990 0.5164488 -2.3023098 -0.2820968 0.0862665 -0.2593055 -3.4179278 27 N -2.9680670 -0.4731983 0.1005990 -0.5164488 -2.3023098 0.2820968 0.0862665 0.2593055 -3.4179278 28 N -2.9680670 0.4731983 0.1005990 0.5164488 -2.3023098 -0.2820968 0.0862665 -0.2593055 -3.4179278 29 Si 3.1975189 0.0522249 -0.0293726 0.1952192 2.8704833 0.0257666 -0.0251535 0.0757662 3.3235006 30 Si 3.1975189 -0.0522249 -0.0293726 -0.1952192 2.8704833 -0.0257666 -0.0251535 -0.0757662 3.3235006 31 Si 3.1975189 0.0522249 -0.0293726 0.1952192 2.8704833 0.0257666 -0.0251535 0.0757662 3.3235006 32 Si 3.1975189 -0.0522249 -0.0293726 -0.1952192 2.8704833 -0.0257666 -0.0251535 -0.0757662 3.3235006 33 Si 3.1307245 -0.1302290 0.0902496 -0.0321189 2.5658801 0.0568268 0.0546053 -0.0382937 3.1997022 34 Si 3.1307245 0.1302290 0.0902496 0.0321189 2.5658801 -0.0568268 0.0546053 0.0382937 3.1997022 35 Si 3.1307245 -0.1302290 0.0902496 -0.0321189 2.5658801 0.0568268 0.0546053 -0.0382937 3.1997022 36 Si 3.1307245 0.1302290 0.0902496 0.0321189 2.5658801 -0.0568268 0.0546053 0.0382937 3.1997022 37 Si 3.3397803 0.1368278 0.0302126 0.1746372 2.7272551 -0.2653735 -0.0609498 -0.1642328 3.1544856 38 Si 3.3397803 -0.1368278 0.0302126 -0.1746372 2.7272551 0.2653735 -0.0609498 0.1642328 3.1544856 39 Si 3.3397803 0.1368278 0.0302126 0.1746372 2.7272551 -0.2653735 -0.0609498 -0.1642328 3.1544856 40 Si 3.3397803 -0.1368278 0.0302126 -0.1746372 2.7272551 0.2653735 -0.0609498 0.1642328 3.1544856 41 Si 2.9344506 -0.0477380 -0.0018129 -0.0503160 3.5939691 0.0938363 0.0009195 0.0609686 2.8121856 42 Si 2.9344506 0.0477380 -0.0018129 0.0503160 3.5939691 -0.0938363 0.0009195 -0.0609686 2.8121856 43 Si 2.9344506 -0.0477380 -0.0018129 -0.0503160 3.5939691 0.0938363 0.0009195 0.0609686 2.8121856 44 Si 2.9344506 0.0477380 -0.0018129 0.0503160 3.5939691 -0.0938363 0.0009195 -0.0609686 2.8121856 45 Ho 3.9266678 0.2836219 -0.2895646 0.3276302 3.7978002 0.1833364 -0.1924090 0.1766603 3.9061922 46 Ho 3.9266678 -0.2836219 -0.2895646 -0.3276302 3.7978002 -0.1833364 -0.1924090 -0.1766603 3.9061922 47 Ho 3.9266678 0.2836219 -0.2895646 0.3276302 3.7978002 0.1833364 -0.1924090 0.1766603 3.9061922 48 Ho 3.9266678 -0.2836219 -0.2895646 -0.3276302 3.7978002 -0.1833364 -0.1924090 -0.1766603 3.9061922 49 Ho 4.0850718 -0.3652220 0.1904344 -0.3336478 3.4870062 -0.4235547 0.2124844 -0.2694363 3.9008516 50 Ho 4.0850718 0.3652220 0.1904344 0.3336478 3.4870062 0.4235547 0.2124844 0.2694363 3.9008516 51 Ho 4.0850718 -0.3652220 0.1904344 -0.3336478 3.4870062 -0.4235547 0.2124844 -0.2694363 3.9008516 52 Ho 4.0850718 0.3652220 0.1904344 0.3336478 3.4870062 0.4235547 0.2124844 0.2694363 3.9008516 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.516 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.062 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.514 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 11.246 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 0.000 0.000) 0.000 11.599 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 11.852 ( 0.000 0.000 0.000) 0.000 11.876 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.114 ( 0.000 0.000 0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.457 ( 0.000 0.000 0.000) 0.000 13.510 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.333 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.323 ( 0.000 0.000 0.000) 0.000 15.513 ( 0.000 0.000 0.000) 0.000 15.793 ( 0.000 0.000 0.000) 0.000 15.802 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 16.157 ( 0.000 0.000 0.000) 0.000 16.455 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 17.044 ( 0.000 0.000 0.000) 0.000 17.091 ( 0.000 0.000 0.000) 0.000 17.820 ( 0.000 0.000 0.000) 0.000 19.163 ( 0.000 0.000 0.000) 0.000 20.058 ( 0.000 0.000 0.000) 0.000 20.069 ( 0.000 0.000 0.000) 0.000 20.413 ( 0.000 0.000 0.000) 0.000 20.532 ( 0.000 0.000 0.000) 0.000 20.581 ( 0.000 0.000 0.000) 0.000 20.590 ( 0.000 0.000 0.000) 0.000 20.724 ( 0.000 0.000 0.000) 0.000 20.953 ( 0.000 0.000 0.000) 0.000 20.957 ( 0.000 0.000 0.000) 0.000 21.024 ( 0.000 0.000 0.000) 0.000 21.142 ( 0.000 0.000 0.000) 0.000 21.631 ( 0.000 0.000 0.000) 0.000 21.635 ( 0.000 0.000 0.000) 0.000 21.707 ( 0.000 0.000 0.000) 0.000 21.726 ( 0.000 0.000 0.000) 0.000 21.780 ( 0.000 0.000 0.000) 0.000 21.831 ( 0.000 0.000 0.000) 0.000 21.858 ( 0.000 0.000 0.000) 0.000 22.058 ( 0.000 0.000 0.000) 0.000 22.207 ( 0.000 0.000 0.000) 0.000 22.552 ( 0.000 0.000 0.000) 0.000 22.580 ( 0.000 0.000 0.000) 0.000 22.771 ( 0.000 0.000 0.000) 0.000 23.029 ( 0.000 0.000 0.000) 0.000 23.077 ( 0.000 0.000 0.000) 0.000 23.121 ( 0.000 0.000 0.000) 0.000 23.184 ( 0.000 0.000 0.000) 0.000 23.432 ( 0.000 0.000 0.000) 0.000 23.537 ( 0.000 0.000 0.000) 0.000 23.559 ( 0.000 0.000 0.000) 0.000 24.231 ( 0.000 0.000 0.000) 0.000 24.554 ( 0.000 0.000 0.000) 0.000 24.668 ( 0.000 0.000 0.000) 0.000 24.871 ( 0.000 0.000 0.000) 0.000 25.026 ( 0.000 0.000 0.000) 0.000 25.065 ( 0.000 0.000 0.000) 0.000 25.067 ( 0.000 0.000 0.000) 0.000 25.384 ( 0.000 0.000 0.000) 0.000 25.581 ( 0.000 0.000 0.000) 0.000 25.811 ( 0.000 0.000 0.000) 0.000 25.908 ( 0.000 0.000 0.000) 0.000 26.029 ( 0.000 0.000 0.000) 0.000 26.054 ( 0.000 0.000 0.000) 0.000 26.157 ( 0.000 0.000 0.000) 0.000 26.210 ( 0.000 0.000 0.000) 0.000 26.531 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 26.726 ( 0.000 0.000 0.000) 0.000 26.846 ( 0.000 0.000 0.000) 0.000 26.869 ( 0.000 0.000 0.000) 0.000 26.912 ( 0.000 0.000 0.000) 0.000 27.011 ( 0.000 0.000 0.000) 0.000 27.128 ( 0.000 0.000 0.000) 0.000 27.299 ( 0.000 0.000 0.000) 0.000 27.781 ( 0.000 0.000 0.000) 0.000 27.985 ( 0.000 0.000 0.000) 0.000 28.363 ( 0.000 0.000 0.000) 0.000 28.458 ( 0.000 0.000 0.000) 0.000 29.732 ( 0.000 0.000 0.000) 0.000 29.959 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 32.109 0.000 12.689) 34.525 0.824 ( 32.974 0.000 21.542) 39.387 1.284 ( 37.214 0.000 13.970) 39.750 1.575 ( 1.078 0.000 3.032) 3.218 1.809 ( 31.015 0.000 10.606) 32.778 1.922 ( 2.670 0.000 11.132) 11.448 2.041 ( 0.015 0.000 1.730) 1.730 2.153 ( -1.573 0.000 5.015) 5.256 2.525 ( 4.870 0.000 1.500) 5.096 2.567 ( 6.386 0.000 0.735) 6.428 2.674 ( 3.540 0.000 1.160) 3.725 2.855 ( 5.256 0.000 -5.206) 7.398 2.939 ( 3.614 0.000 -5.062) 6.220 3.229 ( 6.376 0.000 -0.413) 6.389 3.353 ( -0.613 0.000 -1.973) 2.066 3.488 ( -4.444 0.000 5.734) 7.254 3.497 ( 1.161 0.000 -3.992) 4.157 3.626 ( -0.004 0.000 4.810) 4.810 3.805 ( 0.161 0.000 -2.199) 2.205 3.899 ( 11.872 0.000 10.460) 15.822 3.919 ( 0.802 0.000 -3.492) 3.583 4.049 ( 6.240 0.000 4.346) 7.604 4.393 ( 0.783 0.000 -13.650) 13.672 4.530 ( -2.593 0.000 -0.891) 2.742 4.561 ( 0.838 0.000 0.534) 0.994 4.977 ( -2.245 0.000 -7.958) 8.269 5.056 ( 13.838 0.000 -13.243) 19.154 5.282 ( -5.723 0.000 20.768) 21.542 5.640 ( 5.878 0.000 20.076) 20.919 5.949 ( 3.983 0.000 -13.084) 13.677 6.230 ( -6.041 0.000 4.645) 7.620 6.364 ( 14.401 0.000 -2.233) 14.573 6.553 ( 21.006 0.000 1.218) 21.041 6.590 ( 19.784 0.000 -10.932) 22.603 6.898 ( 16.389 0.000 -0.281) 16.392 7.313 ( 0.561 0.000 2.685) 2.743 7.339 ( 3.562 0.000 -0.279) 3.573 7.568 ( -0.276 0.000 9.370) 9.374 7.743 ( 2.122 0.000 10.440) 10.654 7.757 ( -5.899 0.000 1.602) 6.112 7.974 ( -1.218 0.000 3.574) 3.776 8.029 ( -6.579 0.000 -15.587) 16.919 8.305 ( -5.549 0.000 -6.433) 8.496 8.671 ( -15.965 0.000 -5.219) 16.797 8.726 ( -7.778 0.000 1.965) 8.022 9.097 ( 1.647 0.000 -5.157) 5.414 9.226 ( 6.458 0.000 -4.749) 8.016 9.418 ( 5.846 0.000 -4.554) 7.411 9.653 ( 9.896 0.000 7.258) 12.272 9.719 ( 19.683 0.000 -2.276) 19.814 9.912 ( -5.169 0.000 -8.663) 10.088 9.974 ( -1.485 0.000 2.100) 2.572 10.330 ( 2.309 0.000 -2.597) 3.475 10.413 ( -4.893 0.000 -3.687) 6.127 10.664 ( 5.996 0.000 -2.497) 6.496 10.772 ( 1.470 0.000 5.402) 5.599 10.778 ( 8.462 0.000 1.062) 8.528 10.895 ( -0.025 0.000 8.092) 8.092 10.921 ( 1.928 0.000 8.025) 8.254 11.121 ( -7.215 0.000 -14.796) 16.461 11.229 ( -22.816 0.000 -1.950) 22.900 11.297 ( -0.850 0.000 -6.301) 6.358 11.553 ( 5.782 0.000 -6.384) 8.613 11.799 ( -3.828 0.000 7.222) 8.173 11.801 ( -4.600 0.000 3.620) 5.853 11.867 ( -7.499 0.000 2.261) 7.833 12.101 ( 5.670 0.000 6.982) 8.994 12.214 ( 3.162 0.000 3.196) 4.496 12.501 ( -8.952 0.000 8.413) 12.284 12.572 ( 8.030 0.000 -2.855) 8.522 12.623 ( 3.824 0.000 9.869) 10.584 12.829 ( 8.343 0.000 -6.056) 10.309 12.906 ( -3.681 0.000 -7.277) 8.155 13.150 ( -6.212 0.000 -1.371) 6.362 13.242 ( -4.363 0.000 -9.378) 10.343 13.482 ( -0.357 0.000 -4.008) 4.024 13.625 ( 12.480 0.000 2.037) 12.645 13.704 ( 0.029 0.000 10.110) 10.110 14.106 ( -1.698 0.000 -7.948) 8.127 14.159 ( 3.726 0.000 -0.045) 3.726 14.387 ( 6.153 0.000 -3.553) 7.105 14.959 ( -9.733 0.000 -12.109) 15.536 15.266 ( -10.226 0.000 8.302) 13.171 15.298 ( -4.175 0.000 12.238) 12.931 15.535 ( 0.593 0.000 1.304) 1.433 15.695 ( -4.131 0.000 -0.170) 4.135 15.778 ( -4.224 0.000 1.523) 4.490 15.914 ( -0.010 0.000 5.356) 5.356 15.915 ( 0.509 0.000 -3.354) 3.392 16.328 ( 12.693 0.000 3.425) 13.147 16.550 ( 2.841 0.000 -9.546) 9.960 17.021 ( -2.610 0.000 -0.028) 2.610 17.022 ( -2.676 0.000 2.845) 3.906 17.086 ( -9.799 0.000 16.628) 19.300 17.670 ( -11.843 0.000 -9.264) 15.036 19.035 ( -14.719 0.000 -9.963) 17.773 20.045 ( -1.348 0.000 2.776) 3.086 20.172 ( 8.994 0.000 0.230) 8.997 20.390 ( -7.931 0.000 4.504) 9.121 20.498 ( -2.941 0.000 -6.103) 6.775 20.519 ( -0.593 0.000 0.111) 0.603 20.665 ( 6.278 0.000 2.915) 6.921 20.711 ( -0.049 0.000 -3.758) 3.759 20.935 ( -1.560 0.000 -1.597) 2.233 20.962 ( -1.597 0.000 3.784) 4.107 21.021 ( -0.636 0.000 1.853) 1.959 21.145 ( 2.797 0.000 -6.278) 6.873 21.564 ( -4.674 0.000 -2.405) 5.257 21.634 ( -9.831 0.000 -7.206) 12.189 21.711 ( -5.043 0.000 -9.463) 10.723 21.729 ( -1.331 0.000 1.836) 2.268 21.772 ( 4.454 0.000 2.541) 5.128 21.786 ( -0.493 0.000 -1.319) 1.408 21.929 ( 2.985 0.000 2.572) 3.940 22.127 ( -8.183 0.000 -0.440) 8.195 22.180 ( 1.239 0.000 7.527) 7.628 22.471 ( -8.290 0.000 -5.323) 9.852 22.499 ( -7.914 0.000 -1.155) 7.998 22.881 ( -7.164 0.000 1.103) 7.248 22.899 ( 5.477 0.000 10.883) 12.183 23.158 ( 0.564 0.000 5.958) 5.985 23.291 ( 13.743 0.000 -0.274) 13.746 23.448 ( 7.240 0.000 -7.770) 10.620 23.581 ( -0.046 0.000 5.598) 5.598 23.627 ( 5.116 0.000 7.866) 9.383 24.281 ( 8.527 0.000 -4.333) 9.565 24.550 ( 5.842 0.000 -5.806) 8.237 24.615 ( 4.595 0.000 3.422) 5.729 24.670 ( 0.846 0.000 -1.149) 1.427 24.984 ( -0.174 0.000 -4.522) 4.525 25.059 ( -0.179 0.000 -1.073) 1.088 25.137 ( 5.317 0.000 1.317) 5.478 25.262 ( -10.094 0.000 16.620) 19.445 25.558 ( 1.115 0.000 -5.541) 5.652 25.804 ( -1.478 0.000 0.604) 1.596 25.820 ( -3.806 0.000 -3.846) 5.411 26.040 ( 2.456 0.000 -0.933) 2.627 26.065 ( -0.827 0.000 4.371) 4.448 26.093 ( 3.846 0.000 2.087) 4.376 26.213 ( -0.481 0.000 1.895) 1.955 26.316 ( 0.464 0.000 4.984) 5.006 26.581 ( 7.033 0.000 -0.231) 7.037 26.606 ( -11.166 0.000 -1.368) 11.250 26.777 ( -3.245 0.000 -2.126) 3.879 26.824 ( 6.728 0.000 -2.431) 7.153 27.020 ( 6.990 0.000 -2.158) 7.316 27.044 ( 6.047 0.000 -6.161) 8.633 27.177 ( 2.141 0.000 5.089) 5.521 27.300 ( 5.141 0.000 -4.130) 6.594 27.728 ( -4.909 0.000 -1.643) 5.176 27.959 ( 16.722 0.000 -17.757) 24.391 28.375 ( 1.598 0.000 -0.518) 1.680 28.481 ( 7.666 0.000 -7.100) 10.449 29.065 ( -15.279 0.000 21.555) 26.420 29.683 ( -3.177 0.000 -3.221) 4.524 29.952 ( -3.714 0.000 4.681) 5.975 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 12.211 0.000 2.311) 12.427 1.292 ( -6.684 0.000 1.913) 6.952 1.562 ( 19.050 0.000 4.221) 19.512 1.734 ( 13.389 0.000 7.736) 15.463 2.077 ( 6.383 0.000 10.007) 11.869 2.194 ( 13.487 0.000 1.396) 13.559 2.222 ( 2.831 0.000 11.460) 11.805 2.606 ( 18.287 0.000 6.908) 19.548 2.612 ( 2.558 0.000 1.731) 3.089 2.730 ( 9.471 0.000 1.681) 9.619 2.883 ( 4.479 0.000 -7.410) 8.659 2.909 ( 22.194 0.000 10.672) 24.627 3.012 ( 10.249 0.000 0.383) 10.256 3.271 ( 2.637 0.000 -3.688) 4.534 3.298 ( -1.452 0.000 -3.375) 3.675 3.504 ( 0.544 0.000 0.255) 0.601 3.529 ( -0.066 0.000 7.438) 7.438 3.691 ( 5.018 0.000 1.251) 5.171 3.732 ( -3.612 0.000 -0.204) 3.618 3.881 ( -1.461 0.000 -2.428) 2.834 4.217 ( 6.543 0.000 3.649) 7.491 4.253 ( 6.629 0.000 6.365) 9.190 4.370 ( 15.534 0.000 -3.846) 16.003 4.461 ( -2.314 0.000 -2.838) 3.661 4.601 ( 3.725 0.000 4.626) 5.939 4.856 ( 0.655 0.000 -12.174) 12.192 5.155 ( 9.883 0.000 -8.945) 13.330 5.436 ( 8.260 0.000 6.672) 10.618 5.819 ( 1.492 0.000 -20.926) 20.979 5.986 ( 6.432 0.000 24.511) 25.341 6.161 ( -9.343 0.000 9.874) 13.594 6.682 ( 18.809 0.000 6.959) 20.055 6.837 ( -3.389 0.000 -12.368) 12.824 6.947 ( 14.387 0.000 -7.710) 16.323 7.015 ( 25.715 0.000 4.605) 26.124 7.418 ( 8.060 0.000 -3.562) 8.812 7.549 ( 15.342 0.000 -0.075) 15.342 7.668 ( 1.380 0.000 11.710) 11.791 7.712 ( -3.521 0.000 -9.738) 10.355 7.770 ( 6.955 0.000 -18.623) 19.879 7.901 ( -0.392 0.000 15.625) 15.630 8.060 ( -9.712 0.000 -10.620) 14.391 8.079 ( 7.133 0.000 15.615) 17.167 8.377 ( -9.918 0.000 -1.940) 10.106 8.722 ( 3.681 0.000 4.935) 6.157 8.868 ( -3.427 0.000 -26.129) 26.353 9.273 ( -1.109 0.000 -0.545) 1.235 9.515 ( 7.186 0.000 -2.283) 7.540 9.666 ( -0.214 0.000 -8.885) 8.888 9.940 ( 10.593 0.000 -7.262) 12.844 10.017 ( 5.334 0.000 9.098) 10.546 10.076 ( 3.977 0.000 9.778) 10.556 10.328 ( -2.923 0.000 1.475) 3.274 10.407 ( 3.545 0.000 3.329) 4.862 10.618 ( -9.249 0.000 -3.296) 9.818 10.745 ( -6.012 0.000 -11.773) 13.220 10.774 ( -11.402 0.000 1.587) 11.512 10.870 ( -1.939 0.000 6.623) 6.901 10.938 ( 5.560 0.000 -8.909) 10.501 11.080 ( 1.743 0.000 -2.320) 2.902 11.123 ( 12.855 0.000 5.308) 13.908 11.278 ( 11.205 0.000 -1.335) 11.285 11.611 ( 1.723 0.000 2.235) 2.822 11.732 ( -6.530 0.000 5.678) 8.653 11.753 ( -6.491 0.000 5.802) 8.706 11.862 ( -1.766 0.000 4.537) 4.868 12.128 ( -1.451 0.000 -5.044) 5.249 12.201 ( -6.948 0.000 4.182) 8.109 12.406 ( -8.385 0.000 2.931) 8.882 12.608 ( -8.805 0.000 -3.438) 9.452 12.754 ( 9.579 0.000 4.788) 10.709 12.918 ( 12.206 0.000 -4.351) 12.958 12.959 ( 8.017 0.000 5.144) 9.525 13.136 ( 4.298 0.000 3.065) 5.279 13.265 ( 10.885 0.000 -1.363) 10.970 13.434 ( -2.387 0.000 0.281) 2.403 13.731 ( -5.608 0.000 6.565) 8.634 13.801 ( 9.160 0.000 -4.252) 10.099 13.951 ( -3.536 0.000 -12.606) 13.093 14.254 ( 5.107 0.000 1.857) 5.434 14.393 ( 0.463 0.000 -9.332) 9.344 14.667 ( -6.363 0.000 -13.330) 14.771 15.165 ( -13.126 0.000 12.741) 18.292 15.330 ( -4.837 0.000 7.634) 9.038 15.551 ( -2.943 0.000 7.708) 8.251 15.682 ( 4.372 0.000 -4.938) 6.596 15.695 ( -5.267 0.000 0.632) 5.305 15.917 ( 1.723 0.000 -0.427) 1.775 15.920 ( -6.389 0.000 3.913) 7.492 16.508 ( 1.118 0.000 -5.406) 5.521 16.563 ( 10.701 0.000 2.591) 11.010 16.958 ( -3.977 0.000 -1.053) 4.114 16.981 ( -6.181 0.000 3.569) 7.137 17.094 ( -15.451 0.000 30.271) 33.987 17.273 ( -19.259 0.000 -15.488) 24.714 18.542 ( -25.740 0.000 -18.422) 31.654 20.049 ( -1.137 0.000 1.546) 1.919 20.249 ( -9.783 0.000 1.601) 9.914 20.311 ( 5.581 0.000 -1.775) 5.856 20.424 ( -1.135 0.000 -4.288) 4.436 20.521 ( 0.482 0.000 0.495) 0.691 20.652 ( -3.027 0.000 -3.195) 4.401 20.835 ( 6.857 0.000 5.848) 9.012 20.901 ( 1.491 0.000 -0.585) 1.602 20.956 ( -4.484 0.000 3.222) 5.522 21.052 ( 2.131 0.000 2.116) 3.003 21.088 ( -0.687 0.000 -9.763) 9.787 21.423 ( -6.507 0.000 -1.984) 6.803 21.452 ( -5.894 0.000 -1.522) 6.087 21.563 ( -2.705 0.000 -6.456) 7.000 21.701 ( -3.661 0.000 0.626) 3.714 21.763 ( 0.489 0.000 -2.844) 2.886 21.827 ( -5.124 0.000 3.336) 6.115 22.001 ( 3.855 0.000 -0.769) 3.930 22.014 ( -1.297 0.000 2.114) 2.480 22.219 ( -4.123 0.000 6.627) 7.805 22.287 ( -5.299 0.000 -4.732) 7.104 22.336 ( -8.494 0.000 -1.191) 8.577 22.797 ( -5.840 0.000 2.577) 6.384 23.009 ( -3.563 0.000 1.894) 4.035 23.220 ( 0.824 0.000 5.308) 5.372 23.482 ( 10.590 0.000 -4.847) 11.647 23.561 ( 9.403 0.000 3.058) 9.888 23.592 ( -3.968 0.000 3.422) 5.240 23.883 ( 18.191 0.000 1.834) 18.283 24.420 ( 10.819 0.000 -3.151) 11.268 24.611 ( 5.262 0.000 -1.598) 5.499 24.662 ( 0.185 0.000 -3.257) 3.263 24.763 ( 6.851 0.000 6.385) 9.365 24.955 ( 3.543 0.000 -6.101) 7.055 25.043 ( 0.019 0.000 -1.867) 1.867 25.228 ( 3.420 0.000 -1.061) 3.581 25.249 ( -4.433 0.000 6.542) 7.902 25.557 ( 6.478 0.000 -4.984) 8.173 25.739 ( -2.376 0.000 -2.274) 3.289 25.773 ( -1.976 0.000 -0.387) 2.014 26.083 ( 2.934 0.000 0.204) 2.941 26.114 ( 0.818 0.000 5.707) 5.765 26.173 ( 3.114 0.000 2.032) 3.718 26.236 ( -0.365 0.000 4.566) 4.580 26.335 ( -1.322 0.000 2.342) 2.690 26.457 ( -5.122 0.000 0.949) 5.209 26.698 ( -0.237 0.000 2.327) 2.339 26.799 ( 9.489 0.000 1.751) 9.649 26.863 ( 0.340 0.000 -5.661) 5.671 27.061 ( 5.421 0.000 -10.247) 11.593 27.080 ( 2.193 0.000 -1.282) 2.541 27.172 ( -2.765 0.000 2.692) 3.859 27.441 ( 9.589 0.000 -1.784) 9.753 27.614 ( -4.016 0.000 -3.257) 5.171 28.102 ( 13.314 0.000 -7.212) 15.142 28.400 ( 2.980 0.000 -2.902) 4.159 28.572 ( 6.164 0.000 1.496) 6.343 28.999 ( -11.366 0.000 12.346) 16.781 29.594 ( -2.868 0.000 -3.045) 4.183 29.925 ( -5.833 0.000 6.950) 9.073 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -11.053 0.000 1.458) 11.149 1.279 ( 1.413 0.000 -2.270) 2.674 1.749 ( -0.104 0.000 -1.424) 1.428 2.033 ( 11.785 0.000 3.952) 12.430 2.359 ( 13.388 0.000 6.401) 14.840 2.423 ( 11.154 0.000 3.373) 11.652 2.499 ( 10.881 0.000 14.212) 17.899 2.594 ( -5.309 0.000 -1.002) 5.403 2.796 ( 7.508 0.000 -0.269) 7.513 2.838 ( 2.539 0.000 -4.635) 5.285 2.894 ( 4.625 0.000 -1.066) 4.747 3.074 ( 6.086 0.000 -1.143) 6.192 3.268 ( 1.918 0.000 0.308) 1.942 3.286 ( 5.122 0.000 -4.764) 6.995 3.330 ( 4.054 0.000 -1.059) 4.190 3.502 ( -2.250 0.000 3.312) 4.004 3.586 ( 2.794 0.000 3.586) 4.546 3.780 ( 4.740 0.000 4.023) 6.217 3.818 ( 3.160 0.000 2.045) 3.764 3.837 ( 1.522 0.000 0.244) 1.541 4.252 ( -2.920 0.000 -0.616) 2.984 4.282 ( 1.326 0.000 -1.796) 2.232 4.483 ( 6.617 0.000 0.386) 6.628 4.587 ( 5.686 0.000 2.072) 6.052 4.783 ( 4.954 0.000 -13.755) 14.620 4.871 ( 9.849 0.000 9.754) 13.862 5.276 ( 18.864 0.000 -8.671) 20.761 5.644 ( 2.572 0.000 -20.480) 20.641 5.663 ( 10.800 0.000 4.625) 11.749 6.117 ( -8.386 0.000 14.347) 16.618 6.288 ( 3.623 0.000 18.324) 18.679 6.432 ( -20.569 0.000 -13.046) 24.357 7.028 ( 9.856 0.000 8.431) 12.970 7.081 ( 4.029 0.000 -7.017) 8.092 7.164 ( -22.927 0.000 -24.399) 33.480 7.292 ( 1.465 0.000 3.320) 3.629 7.551 ( -3.171 0.000 -24.827) 25.029 7.586 ( 12.962 0.000 0.274) 12.965 7.826 ( -0.551 0.000 -4.704) 4.736 7.939 ( 16.349 0.000 12.500) 20.579 8.154 ( 16.636 0.000 2.083) 16.766 8.156 ( 12.564 0.000 21.374) 24.793 8.260 ( 2.346 0.000 -10.829) 11.080 8.479 ( 16.787 0.000 20.722) 26.669 8.805 ( 24.458 0.000 -13.409) 27.893 8.899 ( 8.858 0.000 6.279) 10.858 9.216 ( -4.908 0.000 2.491) 5.504 9.570 ( -2.162 0.000 4.804) 5.268 9.612 ( 8.362 0.000 -17.788) 19.656 9.948 ( -13.517 0.000 -8.665) 16.056 9.971 ( 1.262 0.000 -9.203) 9.289 10.089 ( -9.438 0.000 -0.885) 9.479 10.237 ( -3.991 0.000 -4.136) 5.748 10.364 ( -16.659 0.000 15.953) 23.066 10.507 ( -7.164 0.000 7.116) 10.098 10.670 ( 5.722 0.000 -1.739) 5.981 10.721 ( 5.266 0.000 -2.039) 5.647 10.884 ( 2.513 0.000 -10.677) 10.968 11.072 ( 18.641 0.000 3.293) 18.930 11.147 ( 7.238 0.000 1.832) 7.466 11.450 ( 9.941 0.000 12.871) 16.264 11.521 ( 12.667 0.000 0.222) 12.669 11.578 ( -6.393 0.000 0.219) 6.397 11.707 ( -4.255 0.000 7.762) 8.851 11.756 ( 5.588 0.000 1.213) 5.718 11.870 ( 0.503 0.000 0.066) 0.508 12.049 ( -2.671 0.000 -2.322) 3.539 12.107 ( -11.158 0.000 8.876) 14.258 12.268 ( -7.896 0.000 -2.543) 8.295 12.430 ( -7.067 0.000 -4.146) 8.194 12.966 ( 10.820 0.000 4.598) 11.757 13.058 ( -1.462 0.000 7.130) 7.279 13.208 ( 19.377 0.000 1.598) 19.443 13.251 ( 1.843 0.000 -2.139) 2.824 13.445 ( 3.552 0.000 2.316) 4.240 13.477 ( 16.900 0.000 -7.151) 18.351 13.700 ( -3.387 0.000 6.682) 7.492 13.773 ( -0.129 0.000 -8.462) 8.463 13.949 ( 10.823 0.000 0.560) 10.838 14.270 ( -3.743 0.000 -5.323) 6.507 14.325 ( 2.422 0.000 -0.434) 2.460 14.495 ( 0.114 0.000 -15.423) 15.423 15.074 ( -8.911 0.000 7.389) 11.576 15.237 ( -11.772 0.000 2.246) 11.985 15.605 ( -4.759 0.000 16.279) 16.960 15.641 ( -1.680 0.000 -1.746) 2.422 15.710 ( 1.330 0.000 -11.778) 11.853 15.750 ( -12.657 0.000 7.050) 14.488 15.964 ( 0.857 0.000 6.656) 6.711 16.477 ( -2.568 0.000 -3.490) 4.333 16.727 ( 5.591 0.000 2.005) 5.939 16.734 ( -17.361 0.000 -15.411) 23.214 16.878 ( -3.967 0.000 -0.103) 3.968 16.934 ( -6.819 0.000 0.891) 6.877 17.135 ( -13.501 0.000 27.509) 30.643 17.871 ( -28.725 0.000 -20.983) 35.572 20.023 ( -2.936 0.000 -0.603) 2.998 20.127 ( -5.759 0.000 0.622) 5.793 20.297 ( -1.393 0.000 -4.431) 4.645 20.353 ( -3.356 0.000 -2.963) 4.477 20.547 ( 1.205 0.000 1.808) 2.172 20.558 ( -4.202 0.000 -1.919) 4.619 20.835 ( -8.138 0.000 -3.305) 8.783 20.898 ( 0.333 0.000 0.610) 0.695 20.972 ( -3.044 0.000 -6.626) 7.292 21.029 ( 5.016 0.000 -3.820) 6.304 21.117 ( 3.016 0.000 5.684) 6.435 21.366 ( -3.762 0.000 2.985) 4.802 21.399 ( 1.525 0.000 1.342) 2.031 21.516 ( 2.307 0.000 -0.964) 2.501 21.634 ( -1.489 0.000 -1.203) 1.914 21.760 ( 2.670 0.000 -2.734) 3.821 21.775 ( -4.597 0.000 9.572) 10.618 22.027 ( 0.670 0.000 -3.570) 3.632 22.042 ( -0.526 0.000 0.204) 0.564 22.160 ( -6.939 0.000 5.168) 8.652 22.252 ( -3.092 0.000 2.736) 4.128 22.253 ( 3.620 0.000 0.590) 3.668 22.712 ( -6.308 0.000 0.785) 6.357 22.830 ( -11.467 0.000 -8.097) 14.037 23.307 ( 1.398 0.000 7.156) 7.291 23.523 ( -2.552 0.000 -2.955) 3.904 23.544 ( 1.942 0.000 -5.882) 6.194 23.756 ( 8.948 0.000 2.489) 9.287 24.216 ( 17.287 0.000 1.534) 17.355 24.548 ( 5.352 0.000 -0.217) 5.356 24.610 ( -0.803 0.000 -5.175) 5.237 24.689 ( 4.797 0.000 -0.494) 4.823 24.944 ( 4.907 0.000 7.031) 8.574 24.995 ( 7.128 0.000 -5.612) 9.072 25.035 ( 2.048 0.000 -0.846) 2.216 25.211 ( -1.123 0.000 -4.040) 4.193 25.241 ( -1.713 0.000 2.698) 3.196 25.682 ( 7.752 0.000 0.794) 7.792 25.687 ( -1.777 0.000 -1.653) 2.427 25.745 ( 1.627 0.000 -2.999) 3.412 26.137 ( 2.771 0.000 0.484) 2.813 26.194 ( 2.778 0.000 3.338) 4.342 26.230 ( 2.900 0.000 -0.704) 2.984 26.291 ( -0.342 0.000 7.971) 7.979 26.357 ( 0.984 0.000 3.591) 3.723 26.456 ( 2.050 0.000 3.544) 4.094 26.688 ( -3.227 0.000 3.111) 4.483 26.756 ( -4.274 0.000 -6.769) 8.005 26.986 ( -2.476 0.000 -6.917) 7.347 26.989 ( 8.261 0.000 2.369) 8.594 27.083 ( -0.276 0.000 -0.486) 0.559 27.196 ( 1.029 0.000 1.137) 1.534 27.453 ( -1.078 0.000 -5.893) 5.990 27.621 ( 5.699 0.000 -3.370) 6.620 28.241 ( 9.219 0.000 -4.483) 10.251 28.414 ( 3.149 0.000 -5.012) 5.919 28.707 ( 6.240 0.000 3.396) 7.104 28.932 ( -8.868 0.000 10.061) 13.411 29.550 ( 0.289 0.000 -1.108) 1.146 29.896 ( -5.425 0.000 7.163) 8.986 ======================= Grid point 4 (5/78) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -4.578 0.000 6.186) 7.696 1.290 ( 2.951 0.000 -2.188) 3.674 1.653 ( -4.468 0.000 -5.246) 6.890 2.169 ( -0.289 0.000 -0.028) 0.290 2.447 ( -2.881 0.000 -2.373) 3.733 2.517 ( 5.240 0.000 -1.002) 5.335 2.659 ( 8.533 0.000 4.968) 9.874 2.680 ( -0.918 0.000 -0.621) 1.109 2.876 ( 1.685 0.000 -1.074) 1.998 2.916 ( 2.516 0.000 8.833) 9.184 2.946 ( 7.033 0.000 -4.610) 8.409 3.175 ( 4.339 0.000 1.141) 4.487 3.234 ( -0.818 0.000 -1.191) 1.445 3.350 ( 6.631 0.000 -5.800) 8.810 3.360 ( 0.527 0.000 -0.119) 0.541 3.526 ( 0.837 0.000 6.228) 6.284 3.664 ( 3.013 0.000 1.036) 3.186 3.768 ( -3.927 0.000 -0.613) 3.974 3.856 ( 1.269 0.000 0.608) 1.407 3.914 ( -2.106 0.000 0.761) 2.239 4.269 ( 3.041 0.000 9.896) 10.353 4.307 ( 4.109 0.000 -1.905) 4.529 4.630 ( -3.547 0.000 2.667) 4.438 4.633 ( 9.727 0.000 -1.160) 9.796 4.721 ( 2.622 0.000 -13.270) 13.527 4.976 ( 2.780 0.000 -1.514) 3.165 5.538 ( 4.574 0.000 -13.902) 14.635 5.596 ( 18.137 0.000 -1.092) 18.170 5.851 ( 6.565 0.000 2.278) 6.949 5.994 ( -15.901 0.000 -8.954) 18.249 6.120 ( -6.126 0.000 10.438) 12.103 6.483 ( 2.977 0.000 10.574) 10.985 6.582 ( -18.564 0.000 -16.905) 25.108 6.998 ( -3.874 0.000 -9.056) 9.849 7.176 ( 0.877 0.000 6.813) 6.869 7.274 ( -4.672 0.000 -11.449) 12.365 7.288 ( -2.346 0.000 1.277) 2.671 7.659 ( -7.321 0.000 -6.817) 10.003 7.776 ( 6.944 0.000 2.838) 7.502 8.199 ( 1.347 0.000 3.542) 3.790 8.303 ( 13.289 0.000 5.391) 14.341 8.528 ( 16.979 0.000 -4.755) 17.632 8.671 ( 9.432 0.000 30.753) 32.166 8.904 ( 16.858 0.000 1.059) 16.891 9.093 ( 14.816 0.000 -13.197) 19.841 9.138 ( 14.038 0.000 7.491) 15.911 9.291 ( 15.084 0.000 3.651) 15.520 9.527 ( -4.909 0.000 -11.596) 12.593 9.563 ( -4.720 0.000 5.873) 7.535 9.671 ( -3.846 0.000 -3.491) 5.193 9.848 ( -4.552 0.000 -5.716) 7.307 9.914 ( -4.917 0.000 -3.502) 6.036 10.083 ( -21.921 0.000 1.831) 21.997 10.089 ( -6.831 0.000 -7.321) 10.013 10.581 ( 0.061 0.000 9.653) 9.653 10.722 ( 3.215 0.000 -5.689) 6.535 10.839 ( 7.804 0.000 4.071) 8.802 10.953 ( 7.582 0.000 2.319) 7.929 11.232 ( -1.164 0.000 -10.660) 10.724 11.267 ( 3.182 0.000 2.351) 3.956 11.574 ( 8.377 0.000 3.673) 9.147 11.632 ( -1.593 0.000 -0.583) 1.697 11.737 ( 6.981 0.000 15.660) 17.146 11.750 ( 1.306 0.000 10.267) 10.349 11.876 ( 2.542 0.000 0.044) 2.542 11.891 ( 6.023 0.000 -9.381) 11.148 11.982 ( -11.762 0.000 6.855) 13.614 12.025 ( 4.448 0.000 -0.656) 4.496 12.142 ( -3.699 0.000 0.138) 3.702 12.274 ( -7.353 0.000 -4.219) 8.477 13.030 ( -8.314 0.000 7.979) 11.523 13.106 ( -3.575 0.000 -11.894) 12.419 13.201 ( 7.852 0.000 4.367) 8.985 13.513 ( -0.102 0.000 -1.594) 1.598 13.583 ( 21.818 0.000 -4.468) 22.271 13.662 ( 11.570 0.000 -4.018) 12.248 13.751 ( 0.985 0.000 5.339) 5.429 13.865 ( 16.960 0.000 0.704) 16.975 14.132 ( -0.473 0.000 6.258) 6.276 14.211 ( -1.792 0.000 1.932) 2.634 14.367 ( 3.235 0.000 -12.275) 12.694 14.439 ( 12.122 0.000 3.839) 12.716 15.010 ( -2.110 0.000 -1.181) 2.418 15.014 ( -12.258 0.000 0.103) 12.258 15.347 ( -24.078 0.000 -0.699) 24.088 15.564 ( -4.262 0.000 -2.518) 4.950 15.714 ( -7.637 0.000 23.642) 24.845 15.775 ( 7.533 0.000 -9.676) 12.263 16.041 ( -9.347 0.000 -9.787) 13.533 16.130 ( -11.062 0.000 3.408) 11.575 16.593 ( 4.032 0.000 -4.093) 5.746 16.754 ( -1.498 0.000 -1.090) 1.852 16.854 ( -4.892 0.000 2.431) 5.463 16.876 ( 0.905 0.000 3.334) 3.455 17.143 ( -8.597 0.000 13.118) 15.684 17.255 ( -19.889 0.000 -16.070) 25.570 19.945 ( -3.652 0.000 -1.856) 4.096 20.066 ( -1.936 0.000 0.094) 1.938 20.252 ( -5.208 0.000 -1.489) 5.417 20.255 ( 0.116 0.000 -1.467) 1.471 20.512 ( 0.666 0.000 -0.591) 0.890 20.588 ( 0.966 0.000 2.384) 2.572 20.676 ( -6.473 0.000 -3.055) 7.157 20.870 ( -2.549 0.000 -3.665) 4.464 20.889 ( -0.663 0.000 -2.282) 2.377 20.924 ( -5.039 0.000 -4.894) 7.025 21.242 ( 2.876 0.000 0.962) 3.033 21.393 ( 1.070 0.000 6.665) 6.750 21.415 ( 0.773 0.000 -1.617) 1.792 21.621 ( 5.040 0.000 4.185) 6.551 21.625 ( 0.364 0.000 -1.136) 1.193 21.819 ( 6.822 0.000 -0.388) 6.833 21.873 ( 3.409 0.000 9.596) 10.183 21.961 ( -3.718 0.000 -0.827) 3.809 22.021 ( -1.679 0.000 0.968) 1.938 22.147 ( -0.226 0.000 2.044) 2.056 22.233 ( -3.311 0.000 4.343) 5.462 22.348 ( 4.891 0.000 1.149) 5.025 22.522 ( -12.505 0.000 -11.060) 16.694 22.603 ( -5.880 0.000 -1.156) 5.992 23.385 ( 1.048 0.000 4.125) 4.256 23.448 ( -3.020 0.000 -0.934) 3.161 23.489 ( 0.228 0.000 -7.738) 7.742 23.892 ( 5.089 0.000 0.770) 5.147 24.458 ( 9.457 0.000 0.713) 9.484 24.536 ( -1.555 0.000 -2.407) 2.866 24.618 ( 2.174 0.000 -0.605) 2.256 24.755 ( 3.143 0.000 -0.370) 3.165 24.987 ( -0.263 0.000 -0.184) 0.321 25.061 ( 5.658 0.000 -3.954) 6.903 25.141 ( 1.797 0.000 7.403) 7.618 25.154 ( -1.598 0.000 -2.348) 2.841 25.249 ( 2.531 0.000 -1.565) 2.976 25.647 ( -1.348 0.000 -0.958) 1.654 25.717 ( -0.856 0.000 1.377) 1.621 25.832 ( 6.765 0.000 -2.359) 7.165 26.178 ( 1.499 0.000 0.295) 1.528 26.252 ( 1.745 0.000 0.612) 1.849 26.271 ( 2.731 0.000 -0.689) 2.816 26.365 ( -0.109 0.000 7.259) 7.260 26.420 ( 2.519 0.000 1.978) 3.203 26.525 ( 1.767 0.000 -3.512) 3.932 26.650 ( -4.178 0.000 2.594) 4.917 26.669 ( -1.139 0.000 4.922) 5.052 26.881 ( -1.711 0.000 -7.377) 7.573 27.071 ( -0.223 0.000 -0.218) 0.311 27.107 ( 3.162 0.000 1.485) 3.493 27.221 ( -1.341 0.000 6.700) 6.833 27.380 ( 1.125 0.000 -9.494) 9.560 27.648 ( 1.508 0.000 -3.540) 3.848 28.324 ( 4.400 0.000 -2.231) 4.933 28.413 ( 1.924 0.000 -3.972) 4.413 28.822 ( 4.181 0.000 0.639) 4.230 28.901 ( -4.726 0.000 7.644) 8.987 29.573 ( 2.257 0.000 0.181) 2.264 29.878 ( -3.524 0.000 4.656) 5.839 ======================= Grid point 5 (6/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 0.000 0.000) 0.000 1.315 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.846 ( -0.000 0.000 -0.000) 0.000 2.938 ( 0.000 0.000 -0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.112 ( -0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 -0.000) 0.000 8.455 ( -0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.189 ( -0.000 0.000 -0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.347 ( -0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 -0.000) 0.000 9.561 ( -0.000 0.000 0.000) 0.000 9.731 ( -0.000 0.000 -0.000) 0.000 9.738 ( 0.000 0.000 0.000) 0.000 9.804 ( -0.000 0.000 -0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 9.957 ( 0.000 0.000 0.000) 0.000 10.628 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 11.014 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.073 ( -0.000 0.000 -0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.834 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 -0.000) 0.000 11.922 ( -0.000 0.000 0.000) 0.000 12.026 ( -0.000 0.000 -0.000) 0.000 12.058 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 -0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.327 ( 0.000 0.000 0.000) 0.000 13.465 ( 0.000 0.000 -0.000) 0.000 13.709 ( 0.000 0.000 0.000) 0.000 13.753 ( 0.000 0.000 -0.000) 0.000 13.838 ( 0.000 0.000 -0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 -0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 14.486 ( -0.000 0.000 -0.000) 0.000 14.969 ( 0.000 0.000 -0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 15.075 ( -0.000 0.000 0.000) 0.000 15.500 ( 0.000 0.000 0.000) 0.000 15.677 ( 0.000 0.000 0.000) 0.000 15.775 ( -0.000 0.000 0.000) 0.000 15.788 ( 0.000 0.000 -0.000) 0.000 16.196 ( 0.000 0.000 0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 16.822 ( 0.000 0.000 -0.000) 0.000 16.904 ( 0.000 0.000 0.000) 0.000 16.986 ( 0.000 0.000 0.000) 0.000 17.124 ( 0.000 0.000 0.000) 0.000 19.900 ( 0.000 0.000 0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 20.191 ( 0.000 0.000 0.000) 0.000 20.254 ( 0.000 0.000 0.000) 0.000 20.557 ( 0.000 0.000 0.000) 0.000 20.567 ( -0.000 0.000 -0.000) 0.000 20.613 ( 0.000 0.000 0.000) 0.000 20.825 ( 0.000 0.000 0.000) 0.000 20.829 ( 0.000 0.000 0.000) 0.000 20.888 ( 0.000 0.000 0.000) 0.000 21.259 ( 0.000 0.000 0.000) 0.000 21.412 ( 0.000 0.000 0.000) 0.000 21.448 ( 0.000 0.000 -0.000) 0.000 21.622 ( 0.000 0.000 0.000) 0.000 21.686 ( 0.000 0.000 -0.000) 0.000 21.890 ( 0.000 0.000 0.000) 0.000 21.968 ( 0.000 0.000 0.000) 0.000 21.976 ( 0.000 0.000 -0.000) 0.000 22.004 ( 0.000 0.000 0.000) 0.000 22.150 ( 0.000 0.000 0.000) 0.000 22.251 ( 0.000 0.000 0.000) 0.000 22.284 ( 0.000 0.000 -0.000) 0.000 22.407 ( 0.000 0.000 0.000) 0.000 22.529 ( 0.000 0.000 0.000) 0.000 23.414 ( 0.000 0.000 0.000) 0.000 23.418 ( 0.000 0.000 -0.000) 0.000 23.445 ( 0.000 0.000 0.000) 0.000 23.940 ( 0.000 0.000 0.000) 0.000 24.510 ( 0.000 0.000 0.000) 0.000 24.543 ( 0.000 0.000 0.000) 0.000 24.632 ( 0.000 0.000 0.000) 0.000 24.780 ( 0.000 0.000 0.000) 0.000 24.982 ( 0.000 0.000 0.000) 0.000 25.105 ( 0.000 0.000 -0.000) 0.000 25.114 ( -0.000 0.000 0.000) 0.000 25.182 ( 0.000 0.000 0.000) 0.000 25.279 ( 0.000 0.000 -0.000) 0.000 25.629 ( 0.000 0.000 0.000) 0.000 25.718 ( 0.000 0.000 0.000) 0.000 25.878 ( 0.000 0.000 0.000) 0.000 26.192 ( 0.000 0.000 0.000) 0.000 26.269 ( 0.000 0.000 0.000) 0.000 26.294 ( 0.000 0.000 0.000) 0.000 26.405 ( 0.000 0.000 0.000) 0.000 26.458 ( 0.000 0.000 0.000) 0.000 26.495 ( 0.000 0.000 0.000) 0.000 26.619 ( 0.000 0.000 0.000) 0.000 26.738 ( 0.000 0.000 0.000) 0.000 26.800 ( 0.000 0.000 -0.000) 0.000 27.067 ( 0.000 0.000 -0.000) 0.000 27.140 ( 0.000 0.000 0.000) 0.000 27.278 ( 0.000 0.000 0.000) 0.000 27.314 ( 0.000 0.000 -0.000) 0.000 27.635 ( 0.000 0.000 0.000) 0.000 28.350 ( 0.000 0.000 0.000) 0.000 28.409 ( 0.000 0.000 0.000) 0.000 28.853 ( -0.000 0.000 0.000) 0.000 28.908 ( 0.000 0.000 0.000) 0.000 29.599 ( 0.000 0.000 0.000) 0.000 29.869 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 34.448 0.000) 34.448 0.827 ( 0.000 38.761 0.000) 38.761 1.197 ( 0.000 47.534 0.000) 47.534 1.516 ( 0.000 0.506 0.000) 0.506 1.692 ( 0.000 4.479 0.000) 4.479 1.982 ( 0.000 20.020 0.000) 20.020 2.030 ( 0.000 18.405 0.000) 18.405 2.256 ( 0.000 -8.474 0.000) 8.474 2.507 ( 0.000 -1.730 0.000) 1.730 2.580 ( 0.000 -7.332 0.000) 7.332 2.672 ( 0.000 -1.268 0.000) 1.268 2.878 ( 0.000 4.681 0.000) 4.681 2.918 ( 0.000 -2.622 0.000) 2.622 3.116 ( 0.000 2.287 0.000) 2.287 3.286 ( 0.000 -6.613 0.000) 6.613 3.436 ( 0.000 -6.039 0.000) 6.039 3.586 ( 0.000 2.363 0.000) 2.363 3.596 ( 0.000 -10.956 0.000) 10.956 3.720 ( 0.000 -1.819 0.000) 1.819 3.986 ( 0.000 9.449 0.000) 9.449 4.018 ( 0.000 2.513 0.000) 2.513 4.155 ( 0.000 -9.206 0.000) 9.206 4.186 ( 0.000 6.922 0.000) 6.922 4.532 ( 0.000 -2.564 0.000) 2.564 4.532 ( 0.000 1.736 0.000) 1.736 4.772 ( 0.000 -0.586 0.000) 0.586 5.187 ( 0.000 4.588 0.000) 4.588 5.420 ( 0.000 -4.676 0.000) 4.676 5.505 ( 0.000 -0.416 0.000) 0.416 5.873 ( 0.000 -8.715 0.000) 8.715 6.072 ( 0.000 -2.910 0.000) 2.910 6.169 ( 0.000 -8.766 0.000) 8.766 6.498 ( 0.000 10.217 0.000) 10.217 6.499 ( 0.000 -1.514 0.000) 1.514 6.701 ( 0.000 3.624 0.000) 3.624 7.198 ( 0.000 -2.913 0.000) 2.913 7.428 ( 0.000 -8.003 0.000) 8.003 7.578 ( 0.000 14.346 0.000) 14.346 7.676 ( 0.000 2.778 0.000) 2.778 7.850 ( 0.000 -8.868 0.000) 8.868 8.010 ( 0.000 14.952 0.000) 14.952 8.263 ( 0.000 2.311 0.000) 2.311 8.377 ( 0.000 -11.120 0.000) 11.120 8.521 ( 0.000 -6.629 0.000) 6.629 8.934 ( 0.000 -0.358 0.000) 0.358 9.118 ( 0.000 4.711 0.000) 4.711 9.282 ( 0.000 2.986 0.000) 2.986 9.315 ( 0.000 -9.109 0.000) 9.109 9.473 ( 0.000 2.042 0.000) 2.042 9.643 ( 0.000 9.446 0.000) 9.446 10.091 ( 0.000 8.088 0.000) 8.088 10.151 ( 0.000 3.515 0.000) 3.515 10.170 ( 0.000 -14.242 0.000) 14.242 10.285 ( 0.000 -7.052 0.000) 7.052 10.451 ( 0.000 -8.016 0.000) 8.016 10.634 ( 0.000 -1.438 0.000) 1.438 10.663 ( 0.000 -4.570 0.000) 4.570 10.897 ( 0.000 -9.755 0.000) 9.755 10.905 ( 0.000 4.677 0.000) 4.677 11.282 ( 0.000 -4.765 0.000) 4.765 11.337 ( 0.000 -4.896 0.000) 4.896 11.401 ( 0.000 2.243 0.000) 2.243 11.553 ( 0.000 0.438 0.000) 0.438 11.756 ( 0.000 3.475 0.000) 3.475 11.819 ( 0.000 2.159 0.000) 2.159 12.026 ( 0.000 -1.185 0.000) 1.185 12.138 ( 0.000 2.601 0.000) 2.601 12.211 ( 0.000 -1.817 0.000) 1.817 12.327 ( 0.000 17.734 0.000) 17.734 12.478 ( 0.000 -4.158 0.000) 4.158 12.597 ( 0.000 -12.043 0.000) 12.043 12.665 ( 0.000 1.791 0.000) 1.791 12.780 ( 0.000 -1.783 0.000) 1.783 13.269 ( 0.000 -10.815 0.000) 10.815 13.307 ( 0.000 18.536 0.000) 18.536 13.472 ( 0.000 3.302 0.000) 3.302 13.566 ( 0.000 4.922 0.000) 4.922 13.877 ( 0.000 16.199 0.000) 16.199 14.029 ( 0.000 -8.028 0.000) 8.028 14.159 ( 0.000 8.902 0.000) 8.902 14.524 ( 0.000 -6.877 0.000) 6.877 15.150 ( 0.000 3.656 0.000) 3.656 15.206 ( 0.000 3.065 0.000) 3.065 15.288 ( 0.000 -4.292 0.000) 4.292 15.579 ( 0.000 6.109 0.000) 6.109 15.711 ( 0.000 -10.933 0.000) 10.933 15.808 ( 0.000 1.637 0.000) 1.637 15.834 ( 0.000 -0.392 0.000) 0.392 15.889 ( 0.000 -6.233 0.000) 6.233 16.277 ( 0.000 8.311 0.000) 8.311 16.467 ( 0.000 0.887 0.000) 0.887 16.619 ( 0.000 -33.018 0.000) 33.018 17.028 ( 0.000 -0.532 0.000) 0.532 17.082 ( 0.000 -0.936 0.000) 0.936 18.189 ( 0.000 24.145 0.000) 24.145 19.108 ( 0.000 -5.478 0.000) 5.478 20.087 ( 0.000 2.730 0.000) 2.730 20.156 ( 0.000 0.255 0.000) 0.255 20.339 ( 0.000 -5.000 0.000) 5.000 20.427 ( 0.000 -6.393 0.000) 6.393 20.686 ( 0.000 6.668 0.000) 6.668 20.699 ( 0.000 6.635 0.000) 6.635 20.746 ( 0.000 2.434 0.000) 2.434 20.946 ( 0.000 -0.976 0.000) 0.976 21.010 ( 0.000 -0.366 0.000) 0.366 21.146 ( 0.000 -0.109 0.000) 0.109 21.433 ( 0.000 -4.376 0.000) 4.376 21.450 ( 0.000 -10.152 0.000) 10.152 21.641 ( 0.000 0.090 0.000) 0.090 21.738 ( 0.000 1.424 0.000) 1.424 21.775 ( 0.000 -1.821 0.000) 1.821 21.835 ( 0.000 1.465 0.000) 1.465 22.009 ( 0.000 -4.214 0.000) 4.214 22.079 ( 0.000 12.908 0.000) 12.908 22.174 ( 0.000 -1.194 0.000) 1.194 22.547 ( 0.000 -0.605 0.000) 0.605 22.572 ( 0.000 1.871 0.000) 1.871 22.797 ( 0.000 1.711 0.000) 1.711 23.017 ( 0.000 1.549 0.000) 1.549 23.067 ( 0.000 -1.190 0.000) 1.190 23.106 ( 0.000 -0.272 0.000) 0.272 23.176 ( 0.000 -0.671 0.000) 0.671 23.247 ( 0.000 5.945 0.000) 5.945 23.424 ( 0.000 -0.897 0.000) 0.897 23.470 ( 0.000 -6.942 0.000) 6.942 23.521 ( 0.000 -1.680 0.000) 1.680 24.348 ( 0.000 6.090 0.000) 6.090 24.571 ( 0.000 1.642 0.000) 1.642 24.650 ( 0.000 -1.764 0.000) 1.764 24.811 ( 0.000 -4.927 0.000) 4.927 25.049 ( 0.000 -0.104 0.000) 0.104 25.049 ( 0.000 1.524 0.000) 1.524 25.113 ( 0.000 3.007 0.000) 3.007 25.352 ( 0.000 -3.004 0.000) 3.004 25.591 ( 0.000 1.219 0.000) 1.219 25.889 ( 0.000 -2.630 0.000) 2.630 25.984 ( 0.000 8.730 0.000) 8.730 26.041 ( 0.000 3.937 0.000) 3.937 26.130 ( 0.000 3.475 0.000) 3.475 26.152 ( 0.000 -0.479 0.000) 0.479 26.538 ( 0.000 -5.408 0.000) 5.408 26.543 ( 0.000 1.994 0.000) 1.994 26.723 ( 0.000 -0.640 0.000) 0.640 26.779 ( 0.000 -5.621 0.000) 5.621 26.848 ( 0.000 0.602 0.000) 0.602 26.910 ( 0.000 2.917 0.000) 2.917 27.003 ( 0.000 -1.675 0.000) 1.675 27.136 ( 0.000 2.829 0.000) 2.829 27.281 ( 0.000 -1.744 0.000) 1.744 27.535 ( 0.000 -16.108 0.000) 16.108 28.172 ( 0.000 10.535 0.000) 10.535 28.360 ( 0.000 -0.205 0.000) 0.205 28.442 ( 0.000 -1.236 0.000) 1.236 28.533 ( 0.000 -0.769 0.000) 0.769 29.789 ( 0.000 5.463 0.000) 5.463 30.273 ( 0.000 -5.571 0.000) 5.571 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 11.948 20.963 -0.645) 24.138 1.092 ( 24.638 21.610 10.794) 34.504 1.521 ( 2.123 1.256 -0.952) 2.644 1.781 ( 8.705 6.211 10.352) 14.883 1.879 ( 22.223 15.672 13.969) 30.572 2.012 ( 10.999 16.527 -2.195) 19.974 2.033 ( 5.487 11.725 8.158) 15.301 2.265 ( 2.888 0.608 4.664) 5.520 2.574 ( 7.562 -2.211 -2.178) 8.174 2.592 ( 2.645 0.954 2.647) 3.862 2.712 ( 4.445 -3.823 1.347) 6.016 2.861 ( 1.388 7.118 -0.149) 7.253 2.948 ( 5.125 1.017 -3.679) 6.391 3.148 ( 6.507 -1.586 -3.062) 7.365 3.316 ( 0.866 -4.164 -2.735) 5.057 3.398 ( -3.605 -4.521 5.127) 7.728 3.556 ( -2.046 -0.360 2.387) 3.164 3.734 ( 7.631 -2.954 -2.401) 8.528 3.842 ( 7.491 1.557 6.880) 10.290 3.870 ( -1.095 8.012 -2.460) 8.452 4.014 ( 1.876 5.297 0.117) 5.621 4.103 ( 2.441 4.333 1.441) 5.177 4.362 ( 7.187 -6.078 -8.868) 12.932 4.478 ( -1.751 0.570 2.616) 3.200 4.499 ( -2.714 -4.286 -0.945) 5.160 4.914 ( 7.503 -3.484 3.597) 9.020 5.186 ( -0.628 6.425 -18.431) 19.529 5.290 ( -2.608 2.478 13.908) 14.366 5.633 ( 6.296 -1.904 14.395) 15.827 5.850 ( 1.467 -8.622 -10.225) 13.455 6.198 ( -0.000 -4.909 7.922) 9.320 6.288 ( 21.106 -6.780 -6.663) 23.147 6.544 ( 12.687 4.827 1.889) 13.705 6.660 ( 15.676 7.106 -2.268) 17.360 6.851 ( 15.266 -2.705 -1.529) 15.579 7.245 ( 5.615 -2.927 4.180) 7.588 7.462 ( 0.577 -4.258 3.022) 5.253 7.534 ( -3.238 9.170 1.524) 9.843 7.703 ( -0.997 0.463 4.781) 4.905 7.857 ( -0.722 -4.947 3.886) 6.332 7.982 ( -3.383 13.307 3.273) 14.115 8.127 ( -6.725 4.539 -11.049) 13.708 8.375 ( -1.091 -4.540 0.372) 4.684 8.469 ( -3.721 -3.585 -4.621) 6.932 8.734 ( -15.219 -4.227 -3.929) 16.277 9.099 ( -2.103 -2.110 -13.008) 13.345 9.270 ( 3.536 1.912 -0.795) 4.098 9.402 ( 8.457 -1.717 0.295) 8.635 9.630 ( 8.150 -1.284 7.304) 11.019 9.760 ( 10.945 1.125 -0.299) 11.007 9.920 ( -3.146 5.862 -13.863) 15.377 10.038 ( -2.780 3.133 -0.512) 4.220 10.172 ( 1.998 -15.093 -4.909) 15.996 10.353 ( -0.840 1.942 1.809) 2.784 10.571 ( 7.525 -7.710 2.304) 11.017 10.635 ( -0.390 -8.004 -0.244) 8.017 10.692 ( -6.219 -6.932 8.228) 12.427 10.759 ( 3.763 -2.254 -0.237) 4.392 11.052 ( -4.561 -1.917 -1.580) 5.194 11.155 ( 1.848 2.821 -3.307) 4.723 11.347 ( 1.345 -3.729 -1.093) 4.112 11.385 ( -11.885 5.135 -1.983) 13.098 11.509 ( 3.379 7.181 -10.527) 13.184 11.733 ( -1.770 -0.803 5.562) 5.892 11.832 ( -7.628 -0.606 0.013) 7.652 11.920 ( -3.460 2.532 0.339) 4.301 12.090 ( 5.432 -0.354 6.615) 8.567 12.295 ( -3.340 -7.256 5.539) 9.721 12.315 ( 1.630 3.364 -5.832) 6.928 12.606 ( 5.300 5.867 9.911) 12.678 12.667 ( 6.633 -2.596 6.948) 9.950 12.786 ( 8.329 -3.231 -4.609) 10.053 12.894 ( 4.598 -9.123 1.664) 10.351 13.147 ( -8.596 -4.637 2.984) 10.213 13.205 ( -3.896 17.630 -7.035) 19.377 13.510 ( 1.143 1.602 0.617) 2.062 13.701 ( 8.228 4.537 4.194) 10.289 13.873 ( -0.441 12.743 -0.568) 12.763 14.061 ( 3.584 -8.518 0.729) 9.270 14.140 ( -0.775 9.918 -4.076) 10.751 14.437 ( 0.510 -1.293 -7.891) 8.012 14.999 ( -10.781 3.879 -10.158) 15.313 15.230 ( -8.335 -3.331 10.165) 13.561 15.282 ( -0.812 0.263 7.087) 7.139 15.588 ( -0.110 3.118 0.001) 3.120 15.672 ( -3.159 -3.530 1.159) 4.877 15.759 ( -2.731 0.022 -1.443) 3.088 15.858 ( -3.529 -5.481 2.086) 6.844 15.897 ( 4.782 -1.417 -1.481) 5.203 16.377 ( 7.718 0.836 1.190) 7.854 16.461 ( -0.413 -14.657 -3.889) 15.170 16.643 ( 2.512 -15.555 -0.159) 15.757 17.010 ( -4.604 -0.951 4.735) 6.672 17.070 ( -10.329 -1.418 16.540) 19.552 18.028 ( -11.816 24.334 -8.957) 28.495 18.956 ( -13.270 -6.318 -9.545) 17.524 20.096 ( -1.864 2.799 2.331) 4.092 20.202 ( 6.799 1.747 0.707) 7.055 20.356 ( -1.277 -2.936 4.241) 5.314 20.411 ( -2.153 -3.915 -0.564) 4.503 20.608 ( -4.335 5.069 -4.796) 8.215 20.709 ( 0.258 2.213 0.808) 2.370 20.746 ( 3.303 3.896 -3.184) 6.019 20.926 ( -3.097 -1.883 1.832) 4.061 21.004 ( -1.883 0.551 2.778) 3.401 21.131 ( 0.993 -1.751 -6.228) 6.545 21.241 ( -9.512 10.748 -9.026) 16.954 21.414 ( -2.977 -7.456 -1.862) 8.242 21.592 ( -4.242 -1.869 1.478) 4.866 21.743 ( -1.178 1.201 1.105) 2.013 21.745 ( -3.433 1.214 -1.740) 4.036 21.778 ( -4.112 0.667 -8.778) 9.716 21.938 ( -0.685 1.858 -0.339) 2.009 22.007 ( -2.259 10.236 -2.208) 10.713 22.116 ( -4.497 0.161 -2.451) 5.124 22.311 ( -7.756 11.774 1.892) 14.225 22.458 ( -11.443 0.884 -0.484) 11.487 22.534 ( -5.006 1.940 -5.066) 7.382 22.803 ( -3.586 -5.244 -0.476) 6.371 22.918 ( -3.207 -1.101 6.065) 6.948 23.197 ( -1.409 3.220 6.429) 7.327 23.305 ( 12.558 1.025 3.296) 13.024 23.401 ( 3.195 -3.826 -2.674) 5.657 23.522 ( 5.229 -2.784 5.136) 7.840 23.685 ( 11.652 3.640 3.979) 12.839 24.224 ( 18.300 -10.843 -1.768) 21.344 24.464 ( 11.408 -2.403 0.208) 11.660 24.600 ( 1.714 0.221 2.255) 2.841 24.674 ( 2.728 0.041 1.176) 2.971 24.980 ( 1.070 -3.273 0.804) 3.536 25.079 ( 0.169 1.340 0.267) 1.376 25.085 ( 2.818 -10.214 16.763) 19.831 25.153 ( 4.820 0.074 1.033) 4.930 25.434 ( 13.987 -11.417 -6.020) 19.032 25.585 ( 2.395 0.722 -4.014) 4.730 25.869 ( -1.909 -0.478 -0.097) 1.970 26.005 ( 2.014 6.417 1.495) 6.890 26.045 ( 0.380 2.163 0.454) 2.242 26.136 ( -0.830 2.256 3.384) 4.151 26.183 ( 1.762 0.731 2.811) 3.397 26.436 ( -4.597 -0.241 -2.803) 5.390 26.566 ( -6.553 1.698 0.507) 6.789 26.621 ( -2.006 -1.299 2.486) 3.449 26.776 ( -0.165 -0.706 -3.806) 3.875 26.834 ( 4.047 0.764 -0.206) 4.124 26.998 ( 2.889 -1.643 -2.610) 4.226 27.052 ( 8.413 -0.687 -2.703) 8.863 27.184 ( -0.731 0.364 4.054) 4.136 27.292 ( 6.250 -0.776 -4.614) 7.807 27.511 ( -0.135 -14.382 -2.917) 14.676 28.148 ( 8.071 10.926 -13.302) 19.012 28.374 ( 1.794 -0.147 -0.897) 2.011 28.470 ( 4.881 -0.717 -1.893) 5.284 28.747 ( -0.906 -12.937 24.476) 27.699 29.747 ( -3.797 5.492 -1.517) 6.847 30.116 ( -10.978 2.614 -1.580) 11.395 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 3.352 -2.728 -3.782) 5.743 1.448 ( 1.997 4.628 2.385) 5.577 1.589 ( 7.268 -0.154 2.994) 7.862 1.889 ( 3.202 7.209 2.185) 8.185 2.024 ( 9.248 -0.218 4.622) 10.341 2.108 ( 9.811 4.946 8.537) 13.914 2.419 ( 5.816 1.949 7.202) 9.460 2.649 ( 7.165 3.124 1.169) 7.903 2.681 ( 13.691 6.656 1.819) 15.332 2.765 ( 7.133 1.156 5.705) 9.207 2.816 ( 7.277 -3.273 -4.037) 8.943 3.016 ( 6.869 3.755 0.524) 7.846 3.082 ( 21.852 10.394 8.497) 25.647 3.223 ( -0.260 -3.159 -6.393) 7.136 3.252 ( 5.222 -0.941 -0.734) 5.357 3.474 ( 1.498 -1.152 7.996) 8.216 3.560 ( 0.317 1.336 2.050) 2.468 3.750 ( 2.564 5.140 -5.958) 8.276 3.858 ( -1.491 7.077 2.424) 7.628 3.895 ( -1.495 2.329 -2.448) 3.695 4.170 ( 6.081 -4.249 2.796) 7.928 4.272 ( 7.678 1.686 6.112) 9.958 4.396 ( -2.391 -5.801 -3.005) 6.957 4.408 ( 11.239 3.082 -5.206) 12.764 4.569 ( 5.878 -1.251 7.852) 9.888 4.961 ( -0.321 8.862 -9.391) 12.916 5.093 ( 8.679 -5.828 -6.752) 12.445 5.471 ( 8.014 3.710 8.410) 12.195 5.706 ( 2.837 -9.160 -18.525) 20.860 5.962 ( 6.397 -2.753 21.195) 22.309 6.216 ( -6.617 3.838 9.449) 12.157 6.623 ( 17.555 -4.130 2.994) 18.282 6.884 ( 3.179 2.868 -5.359) 6.860 6.923 ( 16.736 -2.731 3.721) 17.361 7.025 ( 20.840 5.068 -5.292) 22.091 7.456 ( 1.188 4.352 -5.025) 6.753 7.512 ( 11.981 -4.266 0.708) 12.737 7.603 ( 8.440 -4.784 8.899) 13.165 7.687 ( -0.268 -1.206 -0.393) 1.296 7.820 ( 3.284 3.068 -16.870) 17.458 8.022 ( 0.201 8.642 5.618) 10.310 8.056 ( -2.398 1.754 6.582) 7.222 8.175 ( -4.959 6.265 -7.827) 11.185 8.351 ( -3.884 -1.996 1.214) 4.532 8.634 ( 3.567 -8.280 3.937) 9.838 8.809 ( -6.285 -5.887 -25.318) 26.743 9.316 ( 0.589 1.984 1.485) 2.547 9.545 ( 7.748 2.002 -1.137) 8.083 9.674 ( -2.495 1.952 -7.840) 8.456 9.860 ( 6.285 -11.526 7.987) 15.367 9.995 ( 8.422 3.668 -7.908) 12.121 10.091 ( 0.017 -3.352 5.696) 6.609 10.178 ( 6.315 -10.704 -2.341) 12.646 10.315 ( -0.755 -4.195 3.481) 5.503 10.591 ( -3.786 -5.192 1.869) 6.692 10.630 ( -1.992 -3.173 -5.230) 6.433 10.715 ( 1.510 -8.358 1.343) 8.599 10.761 ( -6.294 -0.975 -4.558) 7.832 10.998 ( 5.478 -1.509 9.289) 10.889 11.122 ( -6.569 7.586 -8.332) 13.044 11.243 ( 3.993 5.455 1.541) 6.934 11.355 ( 1.158 3.841 -2.766) 4.873 11.518 ( 3.779 -3.641 -2.010) 5.620 11.681 ( -4.358 -1.620 2.999) 5.532 11.823 ( -0.516 -0.458 1.510) 1.660 11.918 ( -0.646 4.853 9.971) 11.108 12.098 ( -5.616 -1.911 -3.652) 6.966 12.270 ( -3.382 5.245 -0.293) 6.248 12.323 ( 0.437 -3.798 4.734) 6.085 12.727 ( -6.022 6.995 7.756) 12.056 12.786 ( 6.464 0.958 -6.451) 9.183 12.923 ( 12.597 -2.895 4.202) 13.591 13.005 ( 7.137 -5.222 -0.361) 8.851 13.106 ( -1.000 1.953 8.219) 8.506 13.214 ( 8.555 6.499 2.466) 11.023 13.519 ( 3.286 6.237 -3.206) 7.744 13.785 ( -4.387 1.650 0.678) 4.736 13.835 ( 1.377 3.225 -6.979) 7.810 14.057 ( 0.241 11.449 -6.189) 13.017 14.176 ( 5.149 -4.120 3.156) 7.310 14.396 ( 1.353 -0.348 -7.582) 7.709 14.703 ( -7.955 4.387 -12.902) 15.779 15.151 ( -12.554 -1.968 12.473) 17.806 15.332 ( -3.688 0.591 7.504) 8.382 15.587 ( -3.711 2.287 7.641) 8.797 15.638 ( -3.101 -4.865 -0.607) 5.801 15.699 ( 2.970 2.411 -6.505) 7.547 15.813 ( -5.454 -7.342 3.170) 9.680 15.940 ( 1.538 -1.255 -1.897) 2.746 16.325 ( -5.997 -30.022 -4.653) 30.966 16.562 ( 6.322 2.198 0.550) 6.715 16.659 ( 2.350 -3.296 -2.645) 4.835 16.974 ( -6.664 -0.813 8.076) 10.502 17.072 ( -14.305 -2.037 28.105) 31.602 17.664 ( -17.508 22.337 -12.747) 31.112 18.487 ( -24.783 -5.232 -18.078) 31.119 20.088 ( -1.598 3.306 1.915) 4.141 20.272 ( -9.186 2.302 1.956) 9.670 20.304 ( 2.023 -1.492 -0.577) 2.579 20.434 ( 3.987 0.975 -1.395) 4.335 20.529 ( -1.536 1.318 -1.987) 2.837 20.651 ( -4.510 -0.059 -2.232) 5.032 20.820 ( 3.472 -2.953 -2.024) 4.987 20.910 ( 0.451 2.073 3.661) 4.231 20.997 ( -2.993 0.558 -0.599) 3.103 21.068 ( 1.295 -0.872 -3.545) 3.874 21.110 ( 0.081 6.129 -2.516) 6.626 21.346 ( -3.094 -2.229 0.624) 3.864 21.535 ( -3.171 0.169 0.289) 3.189 21.574 ( -6.932 1.824 -6.456) 9.647 21.664 ( -3.646 -1.493 -2.489) 4.660 21.737 ( -3.416 2.237 0.781) 4.157 21.944 ( -2.178 4.150 1.023) 4.797 22.008 ( 2.346 1.178 0.058) 2.626 22.041 ( -0.382 3.240 -0.670) 3.330 22.219 ( -7.050 1.089 0.968) 7.199 22.309 ( -5.529 1.810 1.698) 6.060 22.367 ( -7.744 2.503 -2.936) 8.652 22.737 ( -5.111 -5.991 2.389) 8.229 22.900 ( -5.416 -8.787 -0.437) 10.331 23.252 ( 0.962 2.847 6.214) 6.903 23.476 ( 4.860 -4.252 2.751) 7.019 23.531 ( 10.492 2.846 -1.048) 10.922 23.635 ( 4.044 1.325 -0.180) 4.259 23.956 ( 16.571 6.713 2.545) 18.060 24.403 ( 10.814 -2.448 -3.617) 11.663 24.599 ( 6.209 -0.915 -1.792) 6.527 24.639 ( 1.780 -1.536 -1.637) 2.865 24.790 ( 5.794 2.545 6.778) 9.273 24.972 ( 2.765 1.570 -4.184) 5.255 25.073 ( 0.633 2.421 -1.951) 3.173 25.192 ( -2.099 -4.581 7.349) 8.911 25.232 ( 3.135 -0.357 -0.659) 3.224 25.554 ( 6.222 -2.300 -3.332) 7.423 25.643 ( 6.062 -6.905 -3.030) 9.676 25.836 ( -1.915 3.065 0.210) 3.620 26.061 ( 1.687 -0.324 -0.408) 1.766 26.087 ( 3.921 1.539 3.765) 5.649 26.178 ( 1.473 0.214 4.402) 4.647 26.250 ( 1.528 2.198 4.550) 5.279 26.356 ( -2.293 -0.754 -1.007) 2.615 26.470 ( -4.268 3.884 3.578) 6.789 26.661 ( 0.650 -2.901 2.304) 3.761 26.745 ( 1.620 -2.333 -3.489) 4.499 26.913 ( 3.992 1.339 -1.146) 4.364 27.012 ( 1.108 -4.974 -3.050) 5.939 27.081 ( 0.016 -0.866 -4.598) 4.679 27.181 ( 0.325 1.081 0.869) 1.425 27.410 ( 6.777 -3.253 -3.254) 8.191 27.488 ( 3.452 -8.957 -3.573) 10.243 28.200 ( 9.964 7.251 -8.893) 15.197 28.398 ( 3.722 -0.268 -4.267) 5.668 28.568 ( 4.672 -0.033 4.956) 6.811 28.870 ( -6.050 -9.264 15.544) 19.079 29.656 ( -4.029 5.414 -1.889) 7.008 29.961 ( -8.403 1.070 3.345) 9.107 ======================= Grid point 14 (10/78) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -4.454 -7.005 -4.778) 9.578 1.434 ( -0.369 4.309 -0.601) 4.366 1.657 ( -0.427 -4.343 0.972) 4.471 2.036 ( 7.741 -1.697 3.656) 8.728 2.247 ( 9.459 -4.867 5.028) 11.766 2.391 ( 8.169 -0.525 5.775) 10.018 2.559 ( 3.223 -0.836 5.385) 6.331 2.681 ( 0.247 5.965 -0.854) 6.030 2.820 ( 4.613 1.069 -3.463) 5.866 2.876 ( 4.668 3.316 1.074) 5.825 2.907 ( 5.892 2.274 1.228) 6.434 3.112 ( 4.399 2.107 -1.209) 5.026 3.209 ( 5.308 -2.163 -3.115) 6.524 3.340 ( 4.908 1.730 0.842) 5.272 3.392 ( 5.927 6.810 -1.829) 9.211 3.528 ( -1.991 2.260 2.842) 4.141 3.640 ( 6.473 4.509 1.821) 8.096 3.784 ( 2.706 2.206 2.944) 4.566 3.841 ( -1.600 1.745 -2.021) 3.113 3.871 ( 0.753 1.413 1.402) 2.129 4.220 ( -0.880 -3.918 -1.340) 4.233 4.305 ( -0.359 1.204 -0.546) 1.370 4.413 ( 6.128 -5.921 0.607) 8.543 4.569 ( 5.092 -0.427 2.541) 5.707 4.809 ( 6.522 3.312 -7.889) 10.759 4.932 ( 7.883 5.490 4.868) 10.769 5.264 ( 18.744 -1.459 -4.484) 19.328 5.550 ( 3.626 -7.539 -15.498) 17.612 5.726 ( 9.736 5.190 3.462) 11.563 6.203 ( -5.805 7.434 11.689) 15.020 6.239 ( 2.896 -4.001 17.980) 18.646 6.530 ( -19.107 8.478 -9.193) 22.835 6.929 ( 7.156 -4.857 0.733) 8.679 7.163 ( -11.635 -1.922 -13.971) 18.283 7.176 ( -4.593 5.426 -2.862) 7.664 7.254 ( 4.405 -2.492 -4.588) 6.831 7.535 ( 6.785 -1.022 -7.379) 10.076 7.602 ( -6.170 1.544 -18.454) 19.520 7.754 ( 0.089 -4.374 -2.649) 5.114 7.971 ( 15.334 -4.500 6.779) 17.359 8.006 ( 13.042 -0.148 2.962) 13.375 8.271 ( 10.903 2.591 -6.576) 12.994 8.316 ( 6.161 5.175 13.308) 15.552 8.471 ( 17.816 -3.600 13.500) 22.641 8.659 ( 12.101 -6.513 -5.899) 14.955 8.870 ( 18.055 -5.585 6.068) 19.849 9.348 ( 1.913 8.280 2.748) 8.931 9.581 ( -2.669 0.874 -1.654) 3.260 9.622 ( 5.463 2.276 -8.922) 10.707 9.826 ( -7.198 -5.270 -6.818) 11.228 10.039 ( -2.510 -1.203 2.906) 4.024 10.120 ( -0.145 2.851 -9.184) 9.618 10.164 ( -2.432 -2.488 4.292) 5.525 10.428 ( -8.565 0.895 10.133) 13.298 10.536 ( -2.335 -5.504 -0.732) 6.023 10.545 ( 5.110 -4.634 -5.561) 8.860 10.659 ( 0.837 -0.620 2.673) 2.868 10.799 ( 6.454 -6.916 2.026) 9.674 11.047 ( 6.708 -0.637 -5.558) 8.735 11.165 ( 4.124 -2.612 5.282) 7.192 11.335 ( 3.588 -3.541 0.266) 5.048 11.410 ( 5.451 -2.490 0.522) 6.016 11.519 ( -1.831 -4.294 2.470) 5.282 11.689 ( -1.823 -2.555 5.609) 6.428 11.812 ( -1.188 1.488 0.154) 1.910 11.939 ( -6.428 -7.222 -2.005) 9.874 12.069 ( 5.956 9.928 7.330) 13.703 12.216 ( -3.235 9.115 1.137) 9.738 12.335 ( -3.889 5.385 0.684) 6.677 12.606 ( -4.322 13.235 -2.264) 14.106 12.943 ( 9.336 -2.495 2.172) 9.905 13.043 ( -0.438 -2.225 4.149) 4.728 13.174 ( 10.893 -2.993 0.950) 11.336 13.298 ( 10.985 0.542 5.732) 12.402 13.418 ( 10.682 2.757 6.259) 12.684 13.580 ( 5.103 7.023 -8.695) 12.287 13.635 ( -1.547 0.218 -5.545) 5.761 13.778 ( -1.413 -1.781 -3.714) 4.354 14.102 ( 6.392 11.633 3.209) 13.656 14.239 ( 0.416 -5.089 -2.148) 5.540 14.332 ( -0.031 3.027 -3.239) 4.433 14.518 ( 0.475 4.464 -13.288) 14.025 15.059 ( -10.018 -2.116 8.671) 13.417 15.255 ( -10.695 1.907 1.896) 11.028 15.574 ( -5.005 -4.911 0.263) 7.017 15.620 ( -3.592 0.313 11.065) 11.637 15.673 ( -12.085 -4.323 -0.179) 12.836 15.725 ( 4.503 -0.793 -6.489) 7.938 15.961 ( 0.420 -1.370 6.838) 6.986 16.137 ( -9.608 -30.362 -6.423) 32.487 16.585 ( 0.410 2.177 -0.962) 2.415 16.724 ( 3.365 -2.330 0.467) 4.119 16.954 ( -4.915 2.233 8.814) 10.336 17.116 ( -10.758 -1.219 22.634) 25.090 17.238 ( -17.228 17.423 -10.817) 26.784 17.833 ( -27.941 -3.664 -20.756) 34.999 20.059 ( -3.405 3.184 -0.204) 4.666 20.153 ( -5.829 2.796 0.635) 6.496 20.263 ( -3.486 -2.524 -2.647) 5.053 20.405 ( -4.062 3.527 -4.981) 7.332 20.499 ( -1.780 -3.241 1.833) 4.127 20.586 ( -0.203 1.644 -1.002) 1.936 20.764 ( -5.466 -5.228 -3.786) 8.458 20.897 ( -0.299 -3.967 -7.928) 8.870 20.953 ( -0.968 4.668 0.598) 4.804 21.128 ( 0.201 5.370 -1.402) 5.554 21.171 ( 6.262 4.059 5.582) 9.319 21.327 ( -1.444 -1.200 2.952) 3.499 21.438 ( -2.978 1.569 -2.640) 4.278 21.531 ( 1.801 0.845 2.024) 2.838 21.599 ( -0.710 -5.043 1.624) 5.345 21.686 ( -2.100 2.575 0.423) 3.349 21.931 ( -0.595 6.263 2.862) 6.912 22.027 ( -1.747 0.245 0.029) 1.765 22.045 ( 1.888 1.462 -2.258) 3.286 22.145 ( -4.768 -1.049 3.296) 5.891 22.254 ( -1.355 -0.077 1.067) 1.727 22.278 ( -2.804 1.415 2.038) 3.744 22.659 ( -6.107 -5.158 0.282) 7.999 22.739 ( -8.593 -6.911 -5.226) 12.203 23.341 ( 2.190 3.029 5.556) 6.696 23.526 ( -0.713 -1.402 -0.981) 1.853 23.577 ( 1.126 3.948 -7.004) 8.118 23.746 ( 7.809 -1.059 1.486) 8.019 24.257 ( 15.324 3.909 1.145) 15.856 24.529 ( 5.951 -1.987 -0.918) 6.340 24.615 ( 0.146 0.518 -4.758) 4.788 24.675 ( 4.444 -1.184 -1.136) 4.738 24.954 ( 5.121 1.394 5.549) 7.678 25.005 ( 3.236 1.749 -1.967) 4.172 25.082 ( 3.237 2.820 -1.164) 4.448 25.194 ( -1.904 -2.380 0.633) 3.113 25.250 ( 1.683 1.893 -1.579) 2.985 25.633 ( 1.584 -3.734 0.493) 4.086 25.716 ( 8.838 0.353 -3.496) 9.510 25.810 ( -1.477 5.557 0.392) 5.764 26.101 ( 3.225 -2.432 -0.093) 4.040 26.194 ( 4.440 1.983 2.995) 5.711 26.252 ( 2.139 0.677 2.621) 3.450 26.320 ( 1.309 2.808 5.305) 6.143 26.352 ( 1.921 -0.816 1.489) 2.564 26.483 ( -0.126 3.739 5.626) 6.756 26.661 ( -3.196 -3.040 0.718) 4.469 26.707 ( -1.152 -3.046 -4.266) 5.367 26.951 ( -1.704 -4.196 -3.083) 5.478 26.987 ( 2.988 -2.404 0.086) 3.836 27.038 ( -0.621 -1.990 -0.975) 2.302 27.193 ( -1.491 -1.279 1.576) 2.518 27.402 ( 2.777 -3.175 -7.925) 8.978 27.575 ( 6.527 -4.047 -3.754) 8.548 28.287 ( 7.878 3.786 -5.550) 10.354 28.413 ( 3.649 -0.162 -5.628) 6.709 28.707 ( 5.288 0.288 5.229) 7.442 28.885 ( -6.454 -4.032 11.188) 13.531 29.599 ( -0.948 4.498 -0.475) 4.621 29.884 ( -5.844 -1.536 5.359) 8.076 ======================= Grid point 15 (11/78) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.014 -4.912 -0.559) 4.944 1.463 ( 2.813 6.113 1.825) 6.972 1.617 ( -3.091 0.092 -2.165) 3.775 2.167 ( 2.682 -2.523 1.370) 3.929 2.339 ( -2.609 -7.118 -2.945) 8.133 2.428 ( 4.168 -6.548 0.391) 7.772 2.644 ( 0.554 0.902 2.110) 2.360 2.731 ( 0.974 3.113 1.902) 3.776 2.851 ( 2.567 -1.867 0.592) 3.229 2.938 ( 1.241 0.370 0.402) 1.356 3.005 ( 4.493 3.814 0.615) 5.926 3.160 ( 1.654 -1.601 -0.240) 2.315 3.281 ( 6.938 4.792 -3.915) 9.296 3.410 ( 1.725 5.791 -1.912) 6.337 3.428 ( 2.916 4.693 0.377) 5.538 3.530 ( 0.141 0.878 3.643) 3.750 3.730 ( 0.710 3.487 -0.421) 3.584 3.772 ( -1.023 3.340 -0.277) 3.504 3.863 ( 1.358 0.327 1.108) 1.783 3.882 ( -1.733 -2.311 0.803) 2.998 4.227 ( 2.191 -4.878 3.290) 6.278 4.308 ( 1.363 -0.011 1.247) 1.847 4.529 ( 3.167 -8.875 0.354) 9.430 4.592 ( -1.236 -5.814 -1.886) 6.236 4.805 ( 6.455 10.945 -7.771) 14.894 5.091 ( 5.535 9.322 0.883) 10.877 5.469 ( 4.492 -6.272 -10.360) 12.917 5.585 ( 15.360 -2.212 -1.433) 15.584 5.888 ( 4.485 4.540 3.052) 7.074 6.138 ( -14.486 12.464 -7.186) 20.417 6.228 ( -3.974 11.306 9.407) 15.235 6.424 ( 3.229 -5.690 9.700) 11.700 6.608 ( -17.426 2.262 -16.641) 24.201 6.947 ( -4.638 -5.567 -9.433) 11.895 7.103 ( -5.061 -6.061 1.295) 8.001 7.254 ( -1.081 -0.431 -0.922) 1.485 7.350 ( -2.283 3.795 -7.643) 8.834 7.604 ( -4.587 -4.709 -5.253) 8.415 7.708 ( 5.005 -5.983 2.147) 8.090 8.000 ( -1.408 -15.165 -0.533) 15.240 8.305 ( 9.857 -0.933 4.131) 10.728 8.460 ( 12.761 -6.311 -0.752) 14.256 8.696 ( 1.610 -0.212 9.929) 10.061 8.864 ( 22.687 0.084 3.788) 23.001 8.949 ( 20.290 -4.087 8.465) 22.361 9.289 ( 18.460 -1.076 5.630) 19.330 9.448 ( 9.775 14.674 -5.427) 18.448 9.533 ( -1.994 3.169 -7.368) 8.265 9.572 ( 1.701 1.390 1.952) 2.938 9.719 ( -2.790 5.938 2.814) 7.139 9.922 ( -10.787 2.047 3.907) 11.654 9.981 ( 0.965 6.874 -12.004) 13.867 10.152 ( -5.516 6.885 -3.444) 9.471 10.187 ( -18.097 8.044 2.713) 19.989 10.510 ( -1.670 -4.566 4.124) 6.375 10.719 ( 7.546 -2.417 -1.764) 8.117 10.749 ( 8.031 -7.292 4.708) 11.825 10.943 ( 6.842 -2.557 4.395) 8.525 11.154 ( 4.570 -5.656 -5.730) 9.258 11.217 ( 1.224 -4.939 -4.753) 6.963 11.361 ( 0.925 -16.454 -0.133) 16.480 11.519 ( 6.245 -6.158 10.718) 13.849 11.596 ( -1.224 -5.559 7.598) 9.493 11.660 ( -3.390 -0.503 1.968) 3.952 11.764 ( -2.071 -6.253 -2.711) 7.124 11.877 ( -3.010 -6.598 1.967) 7.514 12.145 ( -4.068 5.785 -3.952) 8.102 12.168 ( -2.428 3.820 0.585) 4.564 12.304 ( 5.029 20.917 1.402) 21.559 12.570 ( 0.269 19.461 -0.592) 19.472 12.996 ( -2.341 -2.560 0.854) 3.572 13.165 ( -3.236 2.217 -1.618) 4.243 13.185 ( 4.923 1.078 3.121) 5.928 13.464 ( 2.121 -2.375 -5.640) 6.477 13.613 ( 16.924 -0.216 -2.285) 17.079 13.670 ( 0.588 -4.642 3.927) 6.108 13.714 ( 10.449 3.741 -2.018) 11.281 13.865 ( 18.055 0.193 3.101) 18.321 14.133 ( -5.362 -1.029 1.941) 5.795 14.169 ( -3.448 -4.031 -1.310) 5.464 14.399 ( 5.152 4.131 -7.669) 10.120 14.544 ( 10.522 9.516 4.710) 14.948 14.967 ( -7.284 -4.019 2.003) 8.557 15.079 ( -6.044 5.401 -2.010) 8.351 15.332 ( -22.019 -0.909 -0.587) 22.045 15.449 ( -8.891 -8.842 -0.580) 12.552 15.688 ( -1.433 -9.621 -5.084) 10.976 15.727 ( -3.946 -2.754 11.466) 12.435 15.916 ( -3.550 -7.860 -10.354) 13.476 16.089 ( 2.557 -1.644 11.201) 11.606 16.608 ( 1.636 1.932 1.328) 2.859 16.744 ( -1.806 -4.480 1.598) 5.088 16.869 ( -9.477 6.996 -6.691) 13.548 17.002 ( -1.531 6.918 4.086) 8.180 17.097 ( -13.152 -3.134 2.478) 13.746 17.270 ( -13.544 0.217 -7.299) 15.387 19.975 ( -4.185 2.662 -1.793) 5.274 20.086 ( -2.426 2.135 -0.106) 3.234 20.186 ( -2.615 -3.724 -1.709) 4.861 20.283 ( -4.931 -0.261 -1.717) 5.228 20.503 ( 0.916 -0.467 0.764) 1.281 20.593 ( 0.235 -0.434 -0.529) 0.723 20.642 ( -3.620 -1.552 -1.878) 4.363 20.806 ( -2.044 -2.710 -6.009) 6.901 20.929 ( -0.964 3.587 -1.036) 3.856 21.059 ( -3.995 8.836 -1.311) 9.785 21.296 ( 4.192 -0.248 -0.251) 4.207 21.337 ( -2.631 1.219 4.043) 4.976 21.416 ( 1.147 -0.292 0.502) 1.285 21.576 ( 1.160 -1.859 0.537) 2.256 21.690 ( 3.298 -5.601 5.276) 8.372 21.712 ( 5.414 2.475 0.021) 5.953 21.980 ( 0.857 2.743 3.043) 4.185 22.008 ( -2.114 0.667 0.253) 2.231 22.010 ( -0.760 5.562 1.616) 5.842 22.138 ( 0.256 -0.811 2.155) 2.316 22.235 ( -3.609 -0.180 4.741) 5.961 22.296 ( 1.867 -4.482 -0.733) 4.910 22.510 ( -6.575 -0.825 -6.094) 9.003 22.584 ( -5.275 -1.978 -1.651) 5.870 23.413 ( 1.666 2.290 1.721) 3.314 23.466 ( -3.765 0.864 -0.427) 3.886 23.513 ( 0.328 3.313 -6.950) 7.706 23.868 ( 4.750 -2.698 0.735) 5.512 24.458 ( 6.531 0.473 -0.380) 6.559 24.565 ( 0.754 1.892 0.005) 2.037 24.603 ( 2.345 -1.050 -2.388) 3.508 24.735 ( 3.601 -1.740 -1.049) 4.134 25.008 ( -0.295 2.057 0.153) 2.084 25.059 ( 4.445 0.406 -1.359) 4.666 25.130 ( 0.385 -0.407 0.040) 0.561 25.166 ( -1.832 -0.752 2.214) 2.970 25.292 ( 4.394 4.549 -0.946) 6.395 25.633 ( -0.646 -2.195 0.076) 2.289 25.794 ( -0.695 6.652 0.215) 6.692 25.834 ( 5.992 0.508 -1.159) 6.124 26.152 ( 2.309 -2.119 0.077) 3.135 26.275 ( 2.882 3.546 0.420) 4.589 26.295 ( 1.108 1.876 1.444) 2.614 26.397 ( 3.155 -0.053 0.987) 3.306 26.424 ( 1.989 2.099 4.294) 5.177 26.531 ( 0.278 1.959 -1.653) 2.578 26.592 ( -3.178 -3.638 4.321) 6.481 26.675 ( -1.132 -1.409 1.161) 2.148 26.882 ( -1.290 -0.053 -3.911) 4.119 27.007 ( -0.632 -5.631 -0.779) 5.719 27.058 ( 1.509 -4.952 1.338) 5.347 27.184 ( -2.332 -4.186 5.532) 7.318 27.370 ( 2.914 0.433 -9.168) 9.629 27.604 ( 1.675 -3.970 -3.855) 5.782 28.350 ( 4.001 2.201 -2.523) 5.217 28.415 ( 2.137 0.180 -3.981) 4.522 28.822 ( 3.710 0.102 1.566) 4.029 28.885 ( -3.788 -1.374 7.525) 8.536 29.608 ( 1.352 3.263 0.465) 3.563 29.854 ( -3.248 -2.302 3.902) 5.574 ======================= Grid point 16 (12/78) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.000 -3.489 0.000) 3.489 1.535 ( 0.000 -4.482 0.000) 4.482 1.541 ( -0.000 14.229 -0.000) 14.229 2.153 ( 0.000 2.794 0.000) 2.794 2.325 ( 0.000 -10.366 0.000) 10.366 2.472 ( 0.000 -6.377 0.000) 6.377 2.636 ( 0.000 -0.375 0.000) 0.375 2.758 ( 0.000 -2.267 0.000) 2.267 2.865 ( -0.000 2.017 -0.000) 2.017 2.946 ( 0.000 0.545 -0.000) 0.545 3.062 ( 0.000 1.062 0.000) 1.062 3.161 ( 0.000 -2.081 0.000) 2.081 3.356 ( 0.000 4.357 -0.000) 4.357 3.381 ( 0.000 7.465 0.000) 7.465 3.462 ( 0.000 5.635 0.000) 5.635 3.595 ( 0.000 -2.944 0.000) 2.944 3.667 ( 0.000 0.776 0.000) 0.776 3.798 ( 0.000 7.354 0.000) 7.354 3.845 ( 0.000 -1.754 0.000) 1.754 3.881 ( 0.000 1.435 0.000) 1.435 4.278 ( 0.000 -6.294 0.000) 6.294 4.393 ( 0.000 -2.720 0.000) 2.720 4.449 ( -0.000 -7.030 -0.000) 7.030 4.610 ( 0.000 -10.240 0.000) 10.240 4.837 ( 0.000 13.427 0.000) 13.427 5.147 ( 0.000 12.112 0.000) 12.112 5.449 ( 0.000 -5.774 0.000) 5.774 5.722 ( 0.000 -3.786 0.000) 3.786 5.949 ( 0.000 13.132 0.000) 13.132 5.961 ( -0.000 4.481 -0.000) 4.481 6.239 ( 0.000 12.617 0.000) 12.617 6.352 ( 0.000 3.291 0.000) 3.291 6.513 ( 0.000 -5.147 0.000) 5.147 6.828 ( 0.000 -6.111 0.000) 6.111 7.048 ( 0.000 -11.106 0.000) 11.106 7.260 ( 0.000 -0.718 -0.000) 0.718 7.297 ( 0.000 4.225 0.000) 4.225 7.524 ( 0.000 -2.282 0.000) 2.282 7.773 ( 0.000 -7.801 0.000) 7.801 7.995 ( 0.000 -19.605 -0.000) 19.605 8.383 ( 0.000 -4.115 0.000) 4.115 8.646 ( -0.000 -12.417 -0.000) 12.417 8.652 ( 0.000 1.851 0.000) 1.851 9.136 ( -0.000 3.400 0.000) 3.400 9.190 ( 0.000 -10.568 0.000) 10.568 9.435 ( 0.000 13.120 -0.000) 13.120 9.464 ( 0.000 6.099 0.000) 6.099 9.601 ( 0.000 5.650 0.000) 5.650 9.624 ( -0.000 1.794 0.000) 1.794 9.782 ( -0.000 4.831 -0.000) 4.831 9.813 ( 0.000 11.159 -0.000) 11.159 9.916 ( 0.000 7.669 -0.000) 7.669 9.935 ( -0.000 8.542 0.000) 8.542 10.103 ( 0.000 13.129 0.000) 13.129 10.515 ( 0.000 -7.691 0.000) 7.691 10.743 ( 0.000 -0.672 0.000) 0.672 10.980 ( 0.000 -2.687 0.000) 2.687 10.995 ( -0.000 -3.563 -0.000) 3.563 11.080 ( 0.000 0.032 0.000) 0.032 11.218 ( 0.000 -9.644 0.000) 9.644 11.366 ( 0.000 -20.506 0.000) 20.506 11.532 ( 0.000 -4.552 0.000) 4.552 11.657 ( 0.000 -0.571 0.000) 0.571 11.723 ( 0.000 -10.530 0.000) 10.530 11.777 ( 0.000 -10.870 0.000) 10.870 11.802 ( -0.000 -5.571 -0.000) 5.571 12.087 ( 0.000 4.232 -0.000) 4.232 12.122 ( 0.000 3.323 0.000) 3.323 12.375 ( 0.000 20.764 0.000) 20.764 12.576 ( 0.000 23.246 0.000) 23.246 12.967 ( 0.000 0.090 0.000) 0.090 13.081 ( 0.000 7.085 0.000) 7.085 13.295 ( 0.000 -3.552 0.000) 3.552 13.447 ( 0.000 -1.167 0.000) 1.167 13.668 ( 0.000 -3.546 0.000) 3.546 13.738 ( 0.000 -2.506 -0.000) 2.506 13.842 ( 0.000 1.253 -0.000) 1.253 14.058 ( 0.000 -3.684 0.000) 3.684 14.145 ( 0.000 -2.214 0.000) 2.214 14.159 ( 0.000 -2.867 0.000) 2.867 14.447 ( 0.000 3.223 0.000) 3.223 14.581 ( 0.000 8.809 0.000) 8.809 14.918 ( 0.000 -5.215 -0.000) 5.215 15.043 ( 0.000 1.887 0.000) 1.887 15.133 ( -0.000 6.354 0.000) 6.354 15.352 ( 0.000 -12.063 0.000) 12.063 15.524 ( 0.000 -12.355 0.000) 12.355 15.780 ( 0.000 -3.184 0.000) 3.184 15.857 ( 0.000 6.293 -0.000) 6.293 16.188 ( 0.000 -1.203 0.000) 1.203 16.639 ( 0.000 1.915 0.000) 1.915 16.704 ( 0.000 -3.678 -0.000) 3.678 16.770 ( 0.000 0.447 0.000) 0.447 16.890 ( 0.000 -5.923 0.000) 5.923 17.018 ( 0.000 6.758 -0.000) 6.758 17.193 ( 0.000 3.328 0.000) 3.328 19.925 ( 0.000 2.307 0.000) 2.307 20.067 ( 0.000 1.399 0.000) 1.399 20.150 ( 0.000 -3.653 0.000) 3.653 20.231 ( 0.000 -2.148 0.000) 2.148 20.538 ( 0.000 -1.357 0.000) 1.357 20.549 ( -0.000 -1.307 -0.000) 1.307 20.631 ( 0.000 1.588 0.000) 1.588 20.749 ( 0.000 -1.824 0.000) 1.824 20.913 ( 0.000 3.345 0.000) 3.345 21.016 ( 0.000 10.287 0.000) 10.287 21.320 ( -0.000 6.231 0.000) 6.231 21.334 ( 0.000 -7.043 -0.000) 7.043 21.438 ( 0.000 -0.974 -0.000) 0.974 21.582 ( 0.000 -2.654 0.000) 2.654 21.754 ( 0.000 3.272 -0.000) 3.272 21.781 ( 0.000 -8.188 0.000) 8.188 21.965 ( 0.000 -1.258 0.000) 1.258 21.981 ( 0.000 4.103 0.000) 4.103 22.065 ( 0.000 3.582 0.000) 3.582 22.150 ( 0.000 -0.227 0.000) 0.227 22.263 ( 0.000 0.205 -0.000) 0.205 22.278 ( 0.000 -1.395 0.000) 1.395 22.411 ( -0.000 0.645 0.000) 0.645 22.525 ( 0.000 -0.454 0.000) 0.454 23.422 ( 0.000 0.361 0.000) 0.361 23.432 ( 0.000 0.884 0.000) 0.884 23.486 ( 0.000 4.802 0.000) 4.802 23.913 ( 0.000 -3.042 0.000) 3.042 24.488 ( 0.000 -0.501 0.000) 0.501 24.595 ( 0.000 3.410 -0.000) 3.410 24.609 ( 0.000 -2.130 0.000) 2.130 24.763 ( 0.000 -1.590 0.000) 1.590 25.005 ( 0.000 2.174 0.000) 2.174 25.102 ( 0.000 -0.024 0.000) 0.024 25.108 ( -0.000 -0.212 0.000) 0.212 25.166 ( 0.000 -1.498 0.000) 1.498 25.334 ( 0.000 4.749 -0.000) 4.749 25.627 ( 0.000 -1.601 0.000) 1.601 25.789 ( 0.000 6.935 0.000) 6.935 25.880 ( 0.000 0.356 0.000) 0.356 26.173 ( 0.000 -1.740 0.000) 1.740 26.302 ( 0.000 3.990 0.000) 3.990 26.314 ( 0.000 2.591 0.000) 2.591 26.415 ( 0.000 -3.887 0.000) 3.887 26.486 ( 0.000 6.947 0.000) 6.947 26.499 ( 0.000 0.023 0.000) 0.023 26.597 ( 0.000 -1.073 0.000) 1.073 26.686 ( 0.000 -5.094 0.000) 5.094 26.846 ( 0.000 3.900 0.000) 3.900 26.993 ( 0.000 -7.094 -0.000) 7.094 27.078 ( 0.000 -6.121 0.000) 6.121 27.208 ( 0.000 -6.132 0.000) 6.132 27.339 ( 0.000 2.394 -0.000) 2.394 27.591 ( 0.000 -3.922 0.000) 3.922 28.372 ( 0.000 1.818 0.000) 1.818 28.413 ( 0.000 0.379 0.000) 0.379 28.856 ( -0.000 0.240 0.000) 0.240 28.897 ( 0.000 -0.946 -0.000) 0.946 29.627 ( 0.000 2.646 0.000) 2.646 29.845 ( 0.000 -2.272 0.000) 2.272 ======================= Grid point 22 (13/78) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 23.968 0.000) 23.968 1.503 ( 0.000 24.719 0.000) 24.719 1.589 ( 0.000 -4.751 0.000) 4.751 1.663 ( 0.000 18.633 0.000) 18.633 1.882 ( 0.000 -1.442 0.000) 1.442 2.063 ( 0.000 7.570 0.000) 7.570 2.164 ( 0.000 -22.254 0.000) 22.254 2.385 ( 0.000 -8.188 0.000) 8.188 2.403 ( 0.000 11.252 0.000) 11.252 2.463 ( 0.000 8.071 0.000) 8.071 2.821 ( 0.000 9.661 0.000) 9.661 2.869 ( 0.000 -0.735 0.000) 0.735 2.998 ( 0.000 6.153 0.000) 6.153 3.127 ( 0.000 -8.073 0.000) 8.073 3.221 ( 0.000 -0.311 0.000) 0.311 3.286 ( 0.000 -7.865 0.000) 7.865 3.427 ( 0.000 6.619 0.000) 6.619 3.604 ( 0.000 -2.161 0.000) 2.161 3.731 ( 0.000 2.302 0.000) 2.302 3.880 ( 0.000 -12.413 0.000) 12.413 4.120 ( 0.000 2.801 0.000) 2.801 4.130 ( 0.000 3.077 0.000) 3.077 4.329 ( 0.000 7.082 0.000) 7.082 4.453 ( 0.000 -5.070 0.000) 5.070 4.614 ( 0.000 6.653 0.000) 6.653 4.735 ( 0.000 -3.699 0.000) 3.699 5.307 ( 0.000 6.698 0.000) 6.698 5.372 ( 0.000 1.561 0.000) 1.561 5.459 ( 0.000 -3.578 0.000) 3.578 5.608 ( 0.000 -15.408 0.000) 15.408 6.022 ( 0.000 -1.689 0.000) 1.689 6.031 ( 0.000 -3.412 0.000) 3.412 6.472 ( 0.000 -0.448 0.000) 0.448 6.501 ( 0.000 -3.152 0.000) 3.152 7.038 ( 0.000 17.463 0.000) 17.463 7.235 ( 0.000 10.392 0.000) 10.392 7.243 ( 0.000 -8.896 0.000) 8.896 7.602 ( 0.000 -17.189 0.000) 17.189 7.782 ( 0.000 7.432 0.000) 7.432 7.885 ( 0.000 15.623 0.000) 15.623 8.002 ( 0.000 -15.623 0.000) 15.623 8.182 ( 0.000 -12.153 0.000) 12.153 8.343 ( 0.000 16.231 0.000) 16.231 8.531 ( 0.000 -0.658 0.000) 0.658 8.914 ( 0.000 -0.207 0.000) 0.207 9.034 ( 0.000 -11.500 0.000) 11.500 9.211 ( 0.000 2.528 0.000) 2.528 9.301 ( 0.000 -3.286 0.000) 3.286 9.622 ( 0.000 13.108 0.000) 13.108 9.871 ( 0.000 13.007 0.000) 13.007 9.899 ( 0.000 -12.623 0.000) 12.623 10.127 ( 0.000 -10.684 0.000) 10.684 10.254 ( 0.000 5.708 0.000) 5.708 10.275 ( 0.000 9.280 0.000) 9.280 10.339 ( 0.000 -4.316 0.000) 4.316 10.514 ( 0.000 -12.682 0.000) 12.682 10.661 ( 0.000 4.475 0.000) 4.475 10.722 ( 0.000 -1.432 0.000) 1.432 11.008 ( 0.000 4.745 0.000) 4.745 11.118 ( 0.000 -9.778 0.000) 9.778 11.178 ( 0.000 -3.310 0.000) 3.310 11.257 ( 0.000 -9.205 0.000) 9.205 11.780 ( 0.000 8.178 0.000) 8.178 11.819 ( 0.000 1.731 0.000) 1.731 11.936 ( 0.000 9.262 0.000) 9.262 12.024 ( 0.000 1.117 0.000) 1.117 12.122 ( 0.000 -2.745 0.000) 2.745 12.152 ( 0.000 -4.567 0.000) 4.567 12.381 ( 0.000 -4.152 0.000) 4.152 12.385 ( 0.000 -4.974 0.000) 4.974 12.646 ( 0.000 8.384 0.000) 8.384 12.694 ( 0.000 0.841 0.000) 0.841 12.804 ( 0.000 5.209 0.000) 5.209 13.016 ( 0.000 -13.243 0.000) 13.243 13.572 ( 0.000 8.022 0.000) 8.022 13.654 ( 0.000 2.354 0.000) 2.354 13.716 ( 0.000 13.181 0.000) 13.181 13.847 ( 0.000 -8.010 0.000) 8.010 14.009 ( 0.000 7.660 0.000) 7.660 14.306 ( 0.000 -14.852 0.000) 14.852 14.636 ( 0.000 30.386 0.000) 30.386 15.134 ( 0.000 -13.931 0.000) 13.931 15.249 ( 0.000 6.287 0.000) 6.287 15.325 ( 0.000 9.314 0.000) 9.314 15.451 ( 0.000 -13.726 0.000) 13.726 15.609 ( 0.000 -18.685 0.000) 18.685 15.729 ( 0.000 7.459 0.000) 7.459 15.826 ( 0.000 -2.207 0.000) 2.207 15.868 ( 0.000 4.985 0.000) 4.985 16.071 ( 0.000 -17.078 0.000) 17.078 16.419 ( 0.000 4.869 0.000) 4.869 16.473 ( 0.000 -0.787 0.000) 0.787 17.030 ( 0.000 0.810 0.000) 0.810 17.056 ( 0.000 -1.492 0.000) 1.492 18.629 ( 0.000 18.640 0.000) 18.640 18.936 ( 0.000 -11.727 0.000) 11.727 20.156 ( 0.000 3.300 0.000) 3.300 20.169 ( 0.000 0.963 0.000) 0.963 20.258 ( 0.000 -2.075 0.000) 2.075 20.304 ( 0.000 -5.405 0.000) 5.405 20.776 ( 0.000 2.763 0.000) 2.763 20.801 ( 0.000 1.720 0.000) 1.720 20.854 ( 0.000 6.732 0.000) 6.732 20.945 ( 0.000 0.700 0.000) 0.700 20.983 ( 0.000 -0.676 0.000) 0.676 21.089 ( 0.000 -6.226 0.000) 6.226 21.327 ( 0.000 -1.235 0.000) 1.235 21.353 ( 0.000 -2.940 0.000) 2.940 21.655 ( 0.000 1.671 0.000) 1.671 21.712 ( 0.000 -3.588 0.000) 3.588 21.784 ( 0.000 3.160 0.000) 3.160 21.853 ( 0.000 -2.248 0.000) 2.248 21.957 ( 0.000 2.022 0.000) 2.022 22.053 ( 0.000 -5.629 0.000) 5.629 22.399 ( 0.000 11.972 0.000) 11.972 22.527 ( 0.000 -2.114 0.000) 2.114 22.637 ( 0.000 5.493 0.000) 5.493 22.783 ( 0.000 -5.127 0.000) 5.127 23.011 ( 0.000 -1.086 0.000) 1.086 23.030 ( 0.000 -2.140 0.000) 2.140 23.124 ( 0.000 1.888 0.000) 1.888 23.158 ( 0.000 -1.249 0.000) 1.249 23.368 ( 0.000 4.452 0.000) 4.452 23.378 ( 0.000 0.181 0.000) 0.181 23.395 ( 0.000 -1.776 0.000) 1.776 23.466 ( 0.000 -3.725 0.000) 3.725 24.482 ( 0.000 6.454 0.000) 6.454 24.592 ( 0.000 -4.145 0.000) 4.145 24.620 ( 0.000 3.258 0.000) 3.258 24.704 ( 0.000 -5.033 0.000) 5.033 25.057 ( 0.000 0.752 0.000) 0.752 25.067 ( 0.000 0.086 0.000) 0.086 25.186 ( 0.000 4.124 0.000) 4.124 25.274 ( 0.000 -4.403 0.000) 4.403 25.646 ( 0.000 4.496 0.000) 4.496 25.770 ( 0.000 -7.207 0.000) 7.207 26.108 ( 0.000 2.740 0.000) 2.740 26.139 ( 0.000 -0.878 0.000) 0.878 26.195 ( 0.000 8.969 0.000) 8.969 26.319 ( 0.000 14.969 0.000) 14.969 26.385 ( 0.000 -9.135 0.000) 9.135 26.605 ( 0.000 -11.485 0.000) 11.485 26.620 ( 0.000 4.857 0.000) 4.857 26.700 ( 0.000 -2.664 0.000) 2.664 26.879 ( 0.000 2.389 0.000) 2.389 26.941 ( 0.000 -3.620 0.000) 3.620 26.997 ( 0.000 6.528 0.000) 6.528 27.192 ( 0.000 -10.847 0.000) 10.847 27.200 ( 0.000 3.158 0.000) 3.158 27.268 ( 0.000 -5.327 0.000) 5.327 28.329 ( 0.000 4.041 0.000) 4.041 28.357 ( 0.000 -0.215 0.000) 0.215 28.437 ( 0.000 1.853 0.000) 1.853 28.499 ( 0.000 -2.773 0.000) 2.773 29.938 ( 0.000 8.759 0.000) 8.759 30.122 ( 0.000 -8.861 0.000) 8.861 ======================= Grid point 23 (14/78) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -4.526 19.315 -10.744) 22.561 1.458 ( 3.508 6.464 0.081) 7.355 1.642 ( 3.884 13.606 -0.822) 14.173 1.777 ( 4.057 -0.681 6.278) 7.506 1.996 ( 4.804 -3.676 5.235) 8.000 2.160 ( 6.974 1.899 -7.292) 10.267 2.273 ( 7.311 -1.773 10.369) 12.810 2.395 ( 7.109 1.907 2.539) 7.786 2.440 ( 3.257 3.436 1.172) 4.877 2.534 ( 10.903 -4.442 6.799) 13.596 2.853 ( 3.223 10.318 1.393) 10.898 2.928 ( 5.961 1.009 2.495) 6.540 2.994 ( 2.779 2.522 -3.839) 5.369 3.118 ( 5.214 -7.376 -3.804) 9.801 3.340 ( 5.073 2.421 2.246) 6.053 3.369 ( 7.326 6.633 -0.038) 9.882 3.485 ( 1.873 1.052 6.776) 7.108 3.679 ( 9.305 -5.428 -1.552) 10.883 3.838 ( 7.569 1.286 4.430) 8.864 3.915 ( 4.228 -5.088 -1.534) 6.791 4.120 ( 1.418 4.631 1.779) 5.160 4.171 ( 2.026 0.547 1.691) 2.695 4.277 ( -2.360 1.728 -0.719) 3.012 4.384 ( -5.090 -6.570 -3.121) 8.878 4.619 ( 0.992 11.234 1.409) 11.365 4.818 ( 4.578 -6.840 3.839) 9.082 5.293 ( -0.521 6.428 -11.249) 12.966 5.392 ( 2.656 5.033 7.873) 9.714 5.526 ( 4.767 -7.014 -0.778) 8.516 5.629 ( 0.834 -11.760 8.300) 14.418 6.125 ( 9.651 -0.751 2.220) 9.932 6.164 ( 17.047 -4.259 -1.763) 17.659 6.619 ( 18.222 3.021 -2.103) 18.590 6.693 ( 19.605 -3.767 0.468) 19.969 7.053 ( -1.538 15.313 3.948) 15.888 7.191 ( 0.634 -2.629 3.068) 4.090 7.366 ( 7.134 1.901 4.160) 8.475 7.588 ( -0.491 -11.257 0.381) 11.275 7.795 ( -1.522 10.085 -1.992) 10.391 7.866 ( -0.554 6.141 4.518) 7.644 8.076 ( 1.354 -10.701 1.346) 10.870 8.129 ( -5.803 -6.028 4.164) 9.346 8.280 ( -2.633 11.584 -2.621) 12.165 8.470 ( -4.886 -6.142 -3.326) 8.524 8.727 ( -8.090 7.566 -15.564) 19.103 8.948 ( -3.385 -11.911 -15.331) 19.707 9.263 ( 2.562 1.846 3.081) 4.411 9.379 ( 7.197 -6.031 0.142) 9.391 9.613 ( -1.971 4.911 2.575) 5.885 9.767 ( -5.933 -4.374 1.159) 7.462 9.997 ( 5.373 2.159 -3.483) 6.757 10.088 ( 1.990 0.728 -5.569) 5.959 10.119 ( -0.566 10.311 -9.840) 14.264 10.331 ( -6.483 -8.992 -5.706) 12.468 10.442 ( 8.093 -1.615 6.572) 10.550 10.496 ( 3.718 -5.778 2.816) 7.425 10.652 ( -3.018 2.738 -1.963) 4.523 10.707 ( 1.464 -1.481 1.977) 2.871 10.999 ( -2.626 0.075 -1.651) 3.103 11.118 ( 2.294 -9.230 4.561) 10.548 11.233 ( 5.297 2.539 1.674) 6.109 11.347 ( -0.330 -6.332 4.048) 7.522 11.758 ( -5.471 9.260 -6.537) 12.586 11.802 ( -0.354 5.306 -0.180) 5.321 11.852 ( -6.937 2.262 -8.219) 10.991 11.918 ( 0.161 -2.286 -2.031) 3.062 12.090 ( 2.826 0.980 4.421) 5.337 12.166 ( -2.011 -5.534 0.562) 5.915 12.354 ( 1.311 3.023 -0.413) 3.321 12.496 ( 4.944 -9.976 3.878) 11.790 12.703 ( 7.058 2.348 -0.484) 7.454 12.737 ( 7.443 -1.467 -4.652) 8.899 12.916 ( -2.304 5.778 17.235) 18.323 13.038 ( -6.311 -5.989 13.335) 15.923 13.500 ( -2.881 9.879 -5.124) 11.496 13.624 ( 2.498 2.024 -6.176) 6.963 13.807 ( 5.151 6.242 0.615) 8.116 13.882 ( 3.879 -6.025 0.433) 7.179 14.006 ( -0.558 8.797 0.321) 8.821 14.277 ( 0.462 -11.471 -5.469) 12.716 14.646 ( 0.969 29.702 -0.072) 29.718 15.096 ( -6.259 -5.877 -2.049) 8.826 15.128 ( -13.002 2.975 5.521) 14.436 15.298 ( -0.477 -1.533 2.532) 2.998 15.515 ( 2.598 -7.125 0.135) 7.585 15.582 ( -1.047 -16.685 -2.244) 16.868 15.733 ( -3.132 4.193 0.327) 5.244 15.786 ( 0.238 1.269 -3.107) 3.365 15.863 ( 1.562 -1.598 -2.874) 3.641 15.946 ( -8.878 -14.365 -3.648) 17.276 16.502 ( 6.966 4.604 1.812) 8.544 16.565 ( 6.749 -1.737 0.850) 7.021 17.005 ( -7.997 0.656 9.698) 12.587 17.034 ( -10.105 -1.935 14.176) 17.516 18.470 ( -12.510 18.640 -9.509) 24.380 18.777 ( -12.949 -11.769 -9.795) 20.053 20.156 ( -0.780 3.230 2.393) 4.095 20.214 ( 2.059 -1.554 2.225) 3.407 20.311 ( 4.706 -0.011 3.072) 5.620 20.347 ( 2.033 -2.694 2.357) 4.116 20.699 ( -6.040 3.512 -4.085) 8.094 20.737 ( -4.405 0.012 -1.256) 4.580 20.849 ( 0.425 5.519 -5.045) 7.490 20.905 ( -1.992 -0.059 1.068) 2.261 20.988 ( -0.711 -1.245 3.093) 3.409 21.041 ( -1.150 -6.187 -5.751) 8.525 21.327 ( -1.539 0.880 -3.583) 3.998 21.339 ( -0.126 -0.685 -0.751) 1.024 21.610 ( -4.397 2.820 0.080) 5.224 21.691 ( -3.885 -4.670 -0.435) 6.090 21.782 ( -0.190 2.097 0.460) 2.155 21.806 ( -1.893 0.665 -4.661) 5.075 21.955 ( -0.280 2.054 1.290) 2.442 22.027 ( -3.268 -3.808 0.389) 5.033 22.306 ( -4.040 12.100 -9.336) 15.808 22.434 ( -8.110 -0.045 -2.148) 8.390 22.506 ( -11.706 2.728 -2.541) 12.285 22.622 ( -14.466 0.253 -4.260) 15.082 22.690 ( -4.317 0.158 -4.628) 6.331 22.829 ( -7.240 -6.985 1.174) 10.129 23.262 ( -3.384 2.742 6.941) 8.194 23.302 ( -0.995 -1.384 8.179) 8.354 23.383 ( 13.171 2.649 1.587) 13.528 23.459 ( 9.702 -3.876 4.871) 11.528 23.780 ( 21.878 6.157 2.934) 22.917 23.952 ( 28.805 -11.456 4.117) 31.272 24.515 ( 4.427 4.243 -0.914) 6.200 24.585 ( 1.571 -2.260 -1.705) 3.237 24.701 ( 4.366 3.240 6.577) 8.533 24.809 ( 5.413 -7.595 10.565) 14.093 25.058 ( 0.951 1.687 -0.456) 1.990 25.088 ( 1.570 -0.799 -0.026) 1.761 25.200 ( 3.315 3.814 -2.458) 5.620 25.293 ( 4.675 -5.240 -3.663) 7.921 25.642 ( 1.420 4.729 -2.852) 5.702 25.768 ( 0.597 -7.050 -1.040) 7.152 26.110 ( -0.311 2.279 1.386) 2.686 26.125 ( -0.837 1.107 0.754) 1.579 26.209 ( -0.141 6.976 0.681) 7.011 26.323 ( 0.438 12.516 1.701) 12.639 26.364 ( -2.766 -6.405 -0.683) 7.010 26.526 ( -1.990 -5.331 1.093) 5.795 26.659 ( -4.221 3.324 2.231) 5.818 26.731 ( 3.788 -3.746 -0.077) 5.328 26.855 ( -0.117 2.138 -1.159) 2.435 26.930 ( -0.427 -4.398 -1.698) 4.734 27.058 ( 5.197 2.232 -2.082) 6.027 27.160 ( -1.448 -5.305 1.400) 5.675 27.265 ( 7.802 -1.541 -4.921) 9.352 27.286 ( 3.549 -3.846 -2.332) 5.730 28.314 ( 8.435 4.925 -15.600) 18.406 28.365 ( 4.920 -1.011 -7.330) 8.886 28.483 ( -2.132 2.869 12.664) 13.158 28.578 ( -2.866 -5.912 18.153) 19.305 29.891 ( -4.584 8.223 -0.920) 9.460 30.052 ( -6.727 -6.863 -0.855) 9.648 ======================= Grid point 24 (15/78) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -5.196 11.838 -12.502) 17.984 1.366 ( -3.699 -9.588 -9.868) 14.247 1.712 ( 0.504 9.282 4.698) 10.415 1.867 ( -0.166 -5.684 6.743) 8.821 2.113 ( 4.399 7.208 2.499) 8.806 2.303 ( -0.667 -4.507 1.748) 4.880 2.327 ( 15.152 7.749 4.057) 17.495 2.579 ( 10.653 -10.676 3.041) 15.386 2.739 ( 9.863 2.946 5.275) 11.566 2.779 ( 8.277 -0.422 3.903) 9.161 2.945 ( 4.911 10.138 0.741) 11.289 3.062 ( 7.343 1.495 -0.348) 7.501 3.107 ( 7.752 -3.804 1.152) 8.711 3.132 ( 6.267 -4.080 -2.973) 8.047 3.471 ( 5.115 4.836 -0.463) 7.054 3.496 ( 5.992 3.773 3.782) 8.027 3.593 ( 7.304 9.083 3.266) 12.105 3.801 ( 8.068 -4.048 -7.608) 11.805 3.924 ( 0.014 3.078 1.389) 3.376 3.974 ( 0.125 1.326 2.808) 3.108 4.096 ( -3.332 0.508 -1.377) 3.641 4.228 ( -4.188 -8.614 -3.636) 10.246 4.328 ( 8.925 2.567 5.028) 10.561 4.397 ( 10.099 -3.703 2.204) 10.980 4.702 ( 6.415 12.774 6.518) 15.711 4.937 ( 6.840 -9.369 1.900) 11.754 5.165 ( -0.365 11.173 -10.179) 15.119 5.421 ( 2.102 -12.459 -11.462) 17.059 5.648 ( 7.946 7.515 8.653) 13.946 5.837 ( 6.182 -9.332 15.707) 19.288 6.329 ( 7.247 7.748 5.819) 12.100 6.499 ( 17.249 -8.149 3.015) 19.314 6.912 ( 9.455 4.734 6.682) 12.509 6.996 ( 1.659 -0.595 1.971) 2.644 7.149 ( 20.858 9.937 -3.503) 23.368 7.371 ( 15.355 -10.135 0.670) 18.410 7.533 ( -1.340 2.621 0.503) 2.987 7.581 ( 3.447 0.637 0.985) 3.641 7.731 ( 4.045 8.461 -5.671) 10.960 7.857 ( 3.181 -0.136 -10.337) 10.816 8.062 ( -0.333 -1.873 2.452) 3.103 8.086 ( -5.362 -3.844 4.376) 7.916 8.289 ( 2.569 5.455 -2.367) 6.477 8.399 ( -3.688 1.970 -10.686) 11.475 8.440 ( 2.070 -2.868 -0.098) 3.538 8.628 ( -9.603 -11.300 -21.483) 26.104 9.356 ( 4.971 4.261 2.779) 7.112 9.523 ( 10.024 -8.627 -2.514) 13.462 9.614 ( -2.744 -0.706 6.024) 6.657 9.721 ( 0.872 -7.140 2.250) 7.537 9.970 ( -3.560 6.204 -4.614) 8.512 10.097 ( 4.653 -1.041 -3.323) 5.812 10.129 ( 9.107 4.661 -4.683) 11.251 10.237 ( -2.993 -7.080 2.680) 8.140 10.472 ( -0.956 -2.411 -8.154) 8.556 10.535 ( 2.728 -7.130 -5.892) 9.643 10.662 ( 1.650 4.885 3.512) 6.239 10.757 ( 0.688 -2.584 2.436) 3.617 11.046 ( 2.050 7.202 7.530) 10.620 11.230 ( -8.095 3.171 -3.564) 9.396 11.243 ( 1.056 -9.427 8.741) 12.899 11.282 ( 0.495 -1.950 1.404) 2.453 11.597 ( -4.366 6.127 -5.613) 9.387 11.681 ( -4.339 -1.085 -3.484) 5.669 11.822 ( 2.260 3.221 -3.122) 5.023 11.926 ( -0.532 -4.262 -3.845) 5.765 12.124 ( -0.456 5.209 5.534) 7.614 12.239 ( 1.992 -4.811 8.577) 10.034 12.413 ( 5.912 8.846 0.172) 10.641 12.636 ( 9.974 -11.750 0.505) 15.421 12.834 ( 3.186 0.251 0.408) 3.222 12.856 ( 9.833 -2.304 -0.674) 10.122 12.974 ( -2.738 4.632 10.827) 12.091 13.066 ( -4.614 -3.849 13.770) 15.023 13.447 ( 1.582 11.883 -1.056) 12.034 13.640 ( 5.175 -3.782 -4.726) 7.963 13.839 ( 1.925 5.225 -5.395) 7.753 13.907 ( -1.166 1.903 -5.690) 6.113 14.028 ( 3.155 3.594 0.677) 4.830 14.229 ( 0.486 -7.229 -6.302) 9.602 14.654 ( -0.117 27.802 -0.613) 27.809 14.864 ( -9.038 11.563 -6.693) 16.130 15.052 ( -9.673 -7.857 9.714) 15.801 15.319 ( -1.978 -10.063 4.832) 11.337 15.517 ( -3.055 -5.561 1.979) 6.646 15.530 ( -4.487 -18.452 -0.706) 19.003 15.646 ( -5.820 2.644 2.523) 6.872 15.763 ( -6.700 -11.731 -1.701) 13.617 15.781 ( 2.262 5.002 -5.225) 7.578 15.882 ( 3.068 -4.705 -4.427) 7.152 16.623 ( 4.846 2.572 -0.578) 5.517 16.650 ( 3.463 -0.251 -1.601) 3.823 16.973 ( -9.663 1.169 16.630) 19.269 17.019 ( -12.017 -2.884 23.350) 26.419 18.061 ( -20.550 16.522 -14.967) 30.319 18.331 ( -23.041 -10.373 -17.046) 30.481 20.166 ( -1.335 4.148 2.222) 4.891 20.248 ( -0.726 -3.740 1.270) 4.016 20.338 ( -6.423 3.977 3.314) 8.249 20.416 ( 0.405 -3.029 3.657) 4.766 20.591 ( -0.878 3.885 -5.611) 6.881 20.646 ( -3.006 -1.087 -2.434) 4.018 20.790 ( 0.025 1.434 -7.253) 7.394 20.877 ( -0.456 -5.363 -6.766) 8.645 21.008 ( 1.339 2.213 4.520) 5.208 21.050 ( 2.475 -1.488 6.184) 6.825 21.247 ( -0.816 5.532 -4.385) 7.106 21.319 ( -0.458 -1.719 -1.044) 2.063 21.530 ( -5.563 0.964 1.024) 5.738 21.565 ( -7.309 -1.780 -2.970) 8.088 21.716 ( -4.299 4.093 -2.780) 6.555 21.766 ( -2.784 -0.154 -0.209) 2.796 21.973 ( 0.427 0.547 0.693) 0.981 22.000 ( 0.561 -1.854 1.817) 2.656 22.172 ( -2.708 8.170 -6.162) 10.585 22.278 ( -6.770 2.919 -0.980) 7.437 22.316 ( -7.424 -0.803 -3.255) 8.146 22.405 ( -11.381 -2.339 3.494) 12.133 22.615 ( -3.171 -0.847 0.104) 3.284 22.725 ( -6.468 -8.054 -0.063) 10.330 23.318 ( 2.227 3.471 5.332) 6.741 23.391 ( 4.045 -3.831 4.418) 7.110 23.593 ( 9.514 2.838 -0.954) 9.974 23.635 ( 7.399 -1.167 -0.932) 7.548 24.123 ( 15.645 9.055 1.652) 18.152 24.298 ( 13.637 -7.601 -1.441) 15.679 24.595 ( 5.436 0.569 -1.895) 5.785 24.613 ( 3.341 -1.085 -2.054) 4.069 24.869 ( 5.106 5.407 9.294) 11.903 24.983 ( 3.140 -3.192 5.699) 7.248 25.091 ( 0.320 -2.011 4.416) 4.863 25.103 ( 0.976 -0.393 -1.463) 1.802 25.256 ( 6.481 3.586 -3.653) 8.259 25.382 ( 9.474 -8.787 -3.207) 13.313 25.660 ( 5.087 4.860 -3.488) 7.852 25.784 ( 2.778 -6.476 -0.885) 7.102 26.116 ( -0.082 3.783 0.620) 3.835 26.153 ( 2.550 0.251 1.850) 3.160 26.210 ( -0.501 4.974 3.144) 5.905 26.311 ( -1.743 -3.606 0.387) 4.024 26.373 ( 1.296 9.757 4.018) 10.632 26.540 ( -0.426 -3.302 3.943) 5.161 26.627 ( -1.905 4.315 2.321) 5.257 26.723 ( -0.987 -0.706 -3.884) 4.069 26.859 ( -0.594 -5.460 0.369) 5.504 26.884 ( -1.766 -6.342 -3.725) 7.564 27.085 ( 0.374 2.457 -1.412) 2.859 27.162 ( -0.621 -3.943 0.388) 4.010 27.337 ( 7.292 -0.436 -6.028) 9.471 27.376 ( 10.256 -3.194 -5.032) 11.862 28.327 ( 8.504 4.507 -12.045) 15.417 28.383 ( 6.348 -1.449 -8.997) 11.106 28.596 ( 0.174 3.387 13.560) 13.977 28.703 ( -2.917 -6.890 16.896) 18.479 29.789 ( -5.719 7.173 -0.555) 9.191 29.919 ( -7.839 -4.936 0.733) 9.292 ======================= Grid point 25 (16/78) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.289 11.471 -9.428) 14.851 1.271 ( 2.929 -15.112 -6.238) 16.609 1.752 ( -1.312 8.944 5.446) 10.553 1.928 ( 0.906 -7.946 5.224) 9.553 2.223 ( 4.631 2.146 3.224) 6.037 2.315 ( 0.247 -5.879 0.354) 5.895 2.634 ( 12.875 7.020 6.144) 15.899 2.743 ( 4.144 -0.650 -2.193) 4.734 2.821 ( 1.388 -0.541 -2.403) 2.827 2.841 ( -2.023 -2.895 5.055) 6.166 3.025 ( 3.468 5.428 0.780) 6.488 3.101 ( 2.423 -2.332 -2.301) 4.075 3.249 ( 10.474 4.525 -0.378) 11.416 3.330 ( 8.618 -2.617 2.272) 9.289 3.528 ( 2.988 4.758 -1.560) 5.831 3.574 ( 0.920 0.655 2.725) 2.950 3.729 ( 5.777 4.569 -2.690) 7.841 3.818 ( 0.700 -2.968 -2.913) 4.218 3.925 ( -1.487 8.436 1.877) 8.770 3.935 ( -1.439 7.700 -2.678) 8.278 4.093 ( 0.197 -7.795 -1.424) 7.926 4.169 ( 3.749 -11.895 -0.217) 12.474 4.420 ( -1.285 4.751 0.449) 4.942 4.525 ( 0.965 -4.553 0.638) 4.697 4.965 ( 11.421 10.354 2.990) 15.703 5.063 ( 10.373 5.177 -2.696) 11.903 5.209 ( 11.258 -1.949 2.897) 11.787 5.354 ( 5.041 -11.242 -12.296) 17.407 5.874 ( 7.543 9.287 8.432) 14.637 6.078 ( 5.340 -9.890 12.832) 17.058 6.454 ( -0.589 14.149 9.758) 17.198 6.652 ( -5.813 -1.658 3.555) 7.013 6.902 ( -6.776 4.394 -2.739) 8.528 7.049 ( -3.895 -7.757 1.589) 8.824 7.245 ( -4.291 1.643 -16.619) 17.243 7.268 ( -6.066 1.541 -12.000) 13.534 7.529 ( 1.012 0.609 -5.754) 5.875 7.575 ( -1.409 -3.028 -8.426) 9.063 7.774 ( -7.585 5.216 -15.479) 18.010 7.856 ( 2.400 -3.732 -4.666) 6.439 8.056 ( 19.252 2.770 -0.608) 19.460 8.196 ( 3.996 -9.405 -14.421) 17.675 8.380 ( 18.671 -0.269 3.083) 18.926 8.416 ( 18.963 0.852 15.804) 24.700 8.609 ( 10.937 1.663 6.250) 12.707 8.723 ( 18.881 -7.186 13.469) 24.280 9.465 ( 5.476 4.365 1.986) 7.279 9.561 ( 1.980 -4.038 -2.265) 5.036 9.691 ( 5.793 5.652 -5.067) 9.549 9.855 ( 2.937 -2.502 -2.455) 4.573 9.884 ( 0.694 0.419 10.526) 10.557 10.069 ( -9.734 -9.213 2.954) 13.724 10.223 ( 4.685 4.639 3.420) 7.427 10.323 ( 11.627 -4.394 -2.741) 12.728 10.450 ( 4.675 1.762 -3.541) 6.124 10.562 ( 7.740 -6.761 -5.297) 11.562 10.645 ( -8.544 6.585 2.321) 11.034 10.745 ( -4.051 -1.961 3.250) 5.551 11.031 ( 0.523 1.379 -4.474) 4.711 11.109 ( 1.056 -3.927 -5.179) 6.585 11.320 ( -4.833 2.201 9.402) 10.798 11.413 ( 3.586 -3.998 8.869) 10.368 11.471 ( -3.806 4.678 -4.315) 7.415 11.605 ( -1.257 -5.993 -2.199) 6.506 11.810 ( -2.551 -1.221 1.346) 3.132 11.818 ( -5.588 -2.643 -4.125) 7.431 12.226 ( 2.726 6.186 4.474) 8.106 12.303 ( -1.083 -0.956 2.014) 2.478 12.554 ( 8.485 14.785 1.928) 17.156 12.795 ( -0.306 0.869 4.951) 5.036 12.858 ( 9.572 -3.900 -1.668) 10.470 12.940 ( 2.327 -7.041 -0.362) 7.424 13.136 ( 9.742 1.785 4.788) 11.001 13.221 ( 9.276 -5.390 8.953) 13.974 13.554 ( 7.901 7.919 4.888) 12.208 13.668 ( 2.355 -2.581 -3.085) 4.661 13.727 ( -5.786 6.809 -10.526) 13.807 13.819 ( -0.124 4.660 -5.652) 7.327 14.082 ( 4.520 -3.319 -4.083) 6.937 14.169 ( -1.971 -6.022 -3.899) 7.440 14.629 ( -1.912 21.026 -0.980) 21.136 14.712 ( -2.205 14.555 -2.930) 15.009 14.965 ( -10.123 -5.521 6.524) 13.249 15.288 ( -5.007 -8.504 -0.287) 9.873 15.412 ( -8.710 -14.735 0.636) 17.129 15.485 ( -1.730 -10.623 1.864) 10.923 15.595 ( -6.027 -2.029 1.728) 6.590 15.604 ( -8.989 -2.717 -2.772) 9.791 15.815 ( 4.522 3.877 0.023) 5.956 15.910 ( 2.580 -4.376 2.514) 5.667 16.638 ( -2.291 2.302 3.431) 4.724 16.679 ( -0.117 -1.992 1.392) 2.433 17.009 ( -4.308 3.138 14.056) 15.033 17.072 ( -6.343 -2.815 17.911) 19.209 17.534 ( -22.155 11.797 -16.037) 29.785 17.724 ( -25.775 -7.194 -19.301) 32.994 20.130 ( -4.170 3.566 -0.416) 5.503 20.199 ( -3.736 -2.956 -2.302) 5.291 20.246 ( -7.285 5.423 2.910) 9.537 20.370 ( -7.658 -5.958 1.446) 9.809 20.521 ( -0.395 4.258 -4.327) 6.083 20.597 ( -1.059 -2.291 -3.214) 4.087 20.709 ( -1.230 2.103 -5.324) 5.855 20.803 ( 0.160 -5.383 -7.049) 8.871 21.061 ( -1.234 5.332 1.355) 5.638 21.147 ( 0.636 -2.721 3.648) 4.596 21.287 ( 4.386 5.789 0.404) 7.274 21.338 ( 3.187 0.782 1.606) 3.654 21.448 ( -2.734 -0.163 0.362) 2.762 21.479 ( -1.362 -3.073 5.381) 6.345 21.619 ( -4.144 4.274 -2.019) 6.286 21.700 ( -3.032 -2.332 -0.611) 3.874 22.000 ( 1.570 2.389 1.231) 3.113 22.052 ( 2.101 -1.792 2.618) 3.806 22.087 ( -2.369 4.844 -1.591) 5.622 22.177 ( -5.756 3.706 0.032) 6.846 22.215 ( -1.094 -3.378 -2.290) 4.225 22.277 ( -7.868 -2.382 3.767) 9.043 22.563 ( -3.055 -1.348 -0.447) 3.369 22.616 ( -5.609 -5.060 -0.464) 7.569 23.412 ( 3.352 3.705 2.725) 5.691 23.481 ( 2.489 -2.943 0.298) 3.866 23.656 ( 1.586 3.469 -4.580) 5.960 23.713 ( 4.583 -2.173 -1.337) 5.245 24.359 ( 11.377 5.649 -0.067) 12.703 24.464 ( 8.010 -4.383 -1.193) 9.208 24.629 ( 1.994 0.848 -3.790) 4.365 24.650 ( 3.569 -1.193 -2.499) 4.518 25.012 ( 3.229 4.074 4.889) 7.136 25.054 ( 1.585 2.301 1.482) 3.163 25.104 ( 1.996 -1.006 -2.372) 3.260 25.122 ( -1.490 -3.778 3.939) 5.657 25.335 ( 5.958 6.463 -2.155) 9.050 25.496 ( 4.828 -8.727 -0.309) 9.979 25.753 ( 8.039 3.747 -1.768) 9.044 25.843 ( 3.810 -3.543 0.524) 5.229 26.129 ( 1.595 5.697 -0.241) 5.921 26.227 ( 3.545 -2.631 1.321) 4.608 26.274 ( 3.096 3.461 4.871) 6.730 26.329 ( 2.406 -1.668 2.354) 3.757 26.428 ( 0.534 7.837 3.633) 8.655 26.559 ( -2.583 -3.387 2.233) 4.809 26.624 ( -0.882 6.026 2.657) 6.645 26.672 ( -0.482 0.020 -2.264) 2.315 26.810 ( -1.828 -7.514 -3.140) 8.347 26.853 ( -0.681 -9.046 1.657) 9.222 27.058 ( -1.751 2.476 -1.785) 3.519 27.126 ( -3.235 -4.135 -0.235) 5.256 27.400 ( 7.017 2.765 -7.488) 10.628 27.481 ( 7.097 -4.750 -5.315) 10.058 28.361 ( 6.368 3.016 -7.379) 10.203 28.402 ( 5.012 -1.112 -7.123) 8.780 28.730 ( 2.006 2.235 9.406) 9.874 28.797 ( -2.342 -4.147 11.843) 12.765 29.711 ( -3.228 6.010 0.820) 6.871 29.822 ( -5.239 -4.574 2.649) 7.442 ======================= Grid point 26 (17/78) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 5.274 15.313 -2.655) 16.412 1.318 ( 4.995 -15.139 -1.533) 16.015 1.780 ( -0.236 10.535 3.449) 11.088 1.998 ( 2.448 -11.158 2.744) 11.748 2.287 ( -1.094 0.508 -0.186) 1.221 2.325 ( 2.255 -3.347 1.051) 4.171 2.687 ( -3.773 3.015 -0.518) 4.857 2.750 ( -5.233 -2.414 0.142) 5.764 2.853 ( 6.908 3.136 1.985) 7.842 2.919 ( 3.474 -2.396 0.335) 4.233 3.065 ( 1.266 2.545 -0.132) 2.846 3.116 ( 1.044 -2.505 -1.424) 3.064 3.388 ( 7.297 4.866 -1.930) 8.980 3.458 ( 5.489 -1.691 0.672) 5.783 3.554 ( 0.827 6.843 -0.034) 6.893 3.591 ( -0.732 3.592 1.090) 3.824 3.742 ( -2.315 -0.103 -1.204) 2.612 3.786 ( -0.466 -4.910 -0.702) 4.982 3.911 ( 0.808 4.449 -1.523) 4.771 3.935 ( 0.543 5.593 0.460) 5.638 4.119 ( 3.505 -2.072 2.077) 4.571 4.261 ( 4.303 -9.500 1.495) 10.536 4.372 ( -2.002 0.440 -1.754) 2.698 4.464 ( -4.619 -6.275 -3.472) 8.530 5.065 ( 6.051 12.792 -4.141) 14.745 5.277 ( 9.405 0.023 -2.132) 9.643 5.320 ( 3.535 0.118 -0.754) 3.617 5.485 ( 11.441 -7.509 2.055) 13.838 6.037 ( 3.751 9.717 4.948) 11.531 6.248 ( 1.985 -9.913 6.768) 12.166 6.437 ( -10.887 13.801 0.105) 17.579 6.551 ( -0.785 14.557 7.392) 16.345 6.656 ( -13.908 2.808 -12.012) 18.591 6.815 ( -7.282 -4.846 -9.992) 13.279 6.969 ( -10.462 -5.071 -13.215) 17.602 7.134 ( -2.506 -13.613 -1.817) 13.961 7.449 ( -0.555 5.707 -5.213) 7.750 7.529 ( 2.224 -1.967 -4.760) 5.611 7.600 ( -4.352 -1.698 -1.366) 4.867 7.717 ( -4.862 -11.195 -4.369) 12.963 8.280 ( 7.097 -0.670 2.648) 7.604 8.321 ( 8.290 -5.297 2.029) 10.045 8.701 ( 10.663 2.631 -4.419) 11.838 8.807 ( 15.621 -7.090 -0.764) 17.172 9.006 ( 19.350 9.990 16.302) 27.203 9.208 ( 18.583 -7.981 11.659) 23.345 9.605 ( 8.510 3.121 -1.701) 9.222 9.617 ( 6.443 2.926 -11.042) 13.115 9.696 ( 4.052 9.111 1.789) 10.130 9.835 ( -0.923 -1.118 6.379) 6.541 9.949 ( -4.431 3.511 1.959) 5.983 10.020 ( 0.999 -2.021 4.431) 4.972 10.342 ( -4.845 8.077 5.042) 10.683 10.375 ( -3.525 8.925 -2.724) 9.976 10.473 ( -5.668 -0.951 -1.037) 5.840 10.561 ( 12.856 -3.985 1.367) 13.528 10.655 ( 5.125 -3.773 -1.590) 6.559 10.797 ( 5.002 -11.070 6.987) 14.014 11.061 ( 4.570 -1.003 -4.699) 6.631 11.108 ( 2.997 -4.629 -6.774) 8.734 11.269 ( -5.849 4.652 5.652) 9.371 11.407 ( -5.304 -6.372 10.152) 13.107 11.505 ( 0.500 -1.474 1.159) 1.940 11.575 ( -0.163 -7.337 -4.694) 8.712 11.705 ( -4.871 2.374 1.325) 5.578 11.777 ( -3.587 -4.201 1.861) 5.829 12.213 ( -3.009 2.342 -5.662) 6.827 12.232 ( -4.280 0.959 -3.683) 5.727 12.716 ( 7.508 18.659 2.246) 20.238 12.859 ( 3.967 7.582 2.540) 8.926 12.950 ( 2.209 -1.940 0.973) 3.097 13.060 ( 8.400 -10.396 -0.626) 13.380 13.291 ( 1.189 6.409 4.995) 8.212 13.439 ( 4.026 -5.384 2.235) 7.084 13.549 ( 2.399 2.020 -7.219) 7.870 13.621 ( 3.520 -2.346 -8.061) 9.103 13.825 ( 7.015 5.657 3.279) 9.590 13.881 ( 12.634 0.691 6.327) 14.146 14.066 ( -2.939 -3.398 -3.705) 5.823 14.086 ( -1.854 -3.978 -2.450) 5.026 14.557 ( -1.358 11.357 -3.147) 11.863 14.786 ( 4.340 3.107 7.557) 9.252 14.829 ( -8.198 1.603 -0.792) 8.391 15.172 ( -8.616 -16.277 -1.968) 18.522 15.229 ( -10.180 6.408 -2.680) 12.324 15.367 ( -8.947 -0.093 -2.818) 9.381 15.429 ( -6.864 -5.050 -3.109) 9.071 15.580 ( 1.151 -10.555 2.764) 10.971 15.920 ( 4.783 4.990 4.272) 8.125 16.028 ( 3.660 -4.674 8.973) 10.760 16.649 ( -1.364 1.859 5.057) 5.558 16.684 ( -1.432 -1.848 2.444) 3.382 16.978 ( -12.871 3.842 -6.394) 14.876 17.039 ( -14.044 -2.537 -4.387) 14.930 17.141 ( -4.964 6.165 0.395) 7.925 17.239 ( -8.169 -3.318 -2.407) 9.140 20.038 ( -4.466 3.370 -1.560) 5.808 20.110 ( -3.733 -3.724 -1.699) 5.539 20.153 ( -4.382 4.226 -0.559) 6.113 20.239 ( -6.188 -3.745 -1.272) 7.343 20.508 ( 0.720 1.076 -0.329) 1.336 20.546 ( -0.734 -2.659 -2.692) 3.855 20.672 ( 0.310 3.296 -1.407) 3.597 20.746 ( -0.462 -3.511 -4.082) 5.404 21.030 ( -1.697 6.125 -0.606) 6.385 21.161 ( -0.799 -5.870 1.804) 6.193 21.256 ( -2.755 7.684 -0.869) 8.210 21.389 ( -0.409 -3.622 0.529) 3.683 21.499 ( 1.538 7.675 2.523) 8.224 21.546 ( -1.639 1.781 -0.940) 2.596 21.575 ( 3.579 -4.411 3.699) 6.779 21.694 ( 2.006 -5.883 0.379) 6.228 22.022 ( -0.479 3.766 1.147) 3.965 22.071 ( -0.330 2.777 1.122) 3.013 22.093 ( -0.014 0.335 1.624) 1.658 22.148 ( 1.688 2.555 2.833) 4.172 22.181 ( -1.416 -3.644 1.152) 4.075 22.228 ( -1.809 -2.415 1.785) 3.507 22.500 ( -3.000 0.251 -2.121) 3.683 22.532 ( -3.388 -2.669 -0.708) 4.370 23.452 ( 0.614 1.375 -2.136) 2.613 23.470 ( -1.418 -0.367 -2.420) 2.829 23.630 ( 0.586 7.379 -2.011) 7.671 23.776 ( 3.212 -6.324 0.015) 7.093 24.487 ( 3.652 2.364 -0.866) 4.435 24.543 ( 2.152 -2.773 -0.127) 3.512 24.635 ( 3.238 2.922 -2.483) 5.019 24.691 ( 3.914 -2.535 -1.934) 5.048 25.062 ( -0.572 3.015 1.273) 3.323 25.085 ( 2.233 1.929 -0.234) 2.960 25.118 ( 0.746 -1.156 -1.179) 1.812 25.124 ( -1.103 -2.750 1.822) 3.479 25.410 ( 3.720 6.589 -0.014) 7.567 25.544 ( 1.365 -6.154 0.185) 6.306 25.859 ( 5.082 2.482 -0.669) 5.696 25.900 ( 1.436 0.667 1.244) 2.014 26.158 ( 1.874 4.779 -0.727) 5.185 26.284 ( 2.297 -4.726 0.051) 5.255 26.372 ( 2.745 3.775 2.813) 5.450 26.421 ( 4.805 2.117 -1.060) 5.357 26.451 ( -0.588 2.375 3.493) 4.265 26.519 ( -1.452 -2.868 1.656) 3.616 26.638 ( -0.976 1.339 -1.989) 2.589 26.663 ( -0.258 8.453 4.174) 9.431 26.785 ( 0.321 -9.112 0.271) 9.122 26.876 ( 1.041 -9.734 1.997) 9.991 26.993 ( -3.316 2.408 -1.959) 4.542 27.079 ( -2.021 -5.256 0.766) 5.683 27.417 ( 2.993 3.749 -6.246) 7.875 27.508 ( 2.245 -4.986 -4.666) 7.189 28.394 ( 3.320 1.729 -3.303) 4.992 28.415 ( 2.679 -0.398 -3.869) 4.723 28.830 ( 1.758 0.758 4.010) 4.444 28.854 ( -1.302 -1.529 6.455) 6.760 29.693 ( -0.512 4.763 1.230) 4.946 29.787 ( -2.232 -4.224 2.437) 5.363 ======================= Grid point 27 (18/78) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 16.307 0.000) 16.307 1.358 ( 0.000 -13.791 0.000) 13.791 1.800 ( 0.000 11.539 0.000) 11.539 2.038 ( 0.000 -12.444 0.000) 12.444 2.264 ( -0.000 3.963 0.000) 3.963 2.354 ( 0.000 -4.961 0.000) 4.961 2.648 ( 0.000 1.727 0.000) 1.727 2.700 ( -0.000 -3.101 0.000) 3.101 2.913 ( 0.000 2.294 -0.000) 2.294 2.946 ( 0.000 -0.808 0.000) 0.808 3.080 ( 0.000 1.101 0.000) 1.101 3.114 ( 0.000 -2.220 0.000) 2.220 3.453 ( 0.000 4.059 0.000) 4.059 3.523 ( 0.000 -1.944 0.000) 1.944 3.551 ( 0.000 5.711 0.000) 5.711 3.585 ( 0.000 5.186 0.000) 5.186 3.695 ( 0.000 1.938 0.000) 1.938 3.785 ( 0.000 -4.642 0.000) 4.642 3.916 ( 0.000 2.108 0.000) 2.108 3.938 ( 0.000 3.025 0.000) 3.025 4.189 ( 0.000 1.717 0.000) 1.717 4.334 ( 0.000 -2.368 0.001) 2.368 4.335 ( -0.000 -3.261 -0.001) 3.261 4.369 ( 0.000 -12.296 0.000) 12.296 5.101 ( 0.000 11.444 0.000) 11.444 5.300 ( -0.000 -8.621 0.000) 8.621 5.401 ( 0.000 11.845 -0.000) 11.845 5.603 ( 0.000 -7.970 0.000) 7.970 6.098 ( 0.000 8.732 0.000) 8.732 6.230 ( 0.000 5.496 0.000) 5.496 6.380 ( -0.000 2.227 0.000) 2.227 6.442 ( 0.000 4.616 -0.000) 4.616 6.633 ( -0.000 16.713 0.000) 16.713 6.687 ( 0.000 -0.222 0.000) 0.222 6.766 ( 0.000 -15.311 0.000) 15.311 7.105 ( 0.000 -17.274 0.000) 17.274 7.431 ( 0.000 8.113 -0.000) 8.113 7.505 ( 0.000 1.737 0.000) 1.737 7.566 ( 0.000 -8.942 0.000) 8.942 7.666 ( 0.000 -11.869 0.000) 11.869 8.344 ( 0.000 0.617 0.000) 0.617 8.426 ( 0.000 -7.855 -0.000) 7.855 8.736 ( 0.000 7.150 0.000) 7.150 8.939 ( 0.000 -12.304 0.000) 12.304 9.278 ( 0.000 9.746 0.000) 9.746 9.481 ( -0.000 -8.146 0.000) 8.146 9.575 ( 0.000 3.190 0.000) 3.190 9.601 ( 0.000 0.612 0.000) 0.612 9.812 ( 0.000 9.731 0.000) 9.731 9.933 ( 0.000 10.408 0.000) 10.408 9.938 ( 0.000 -2.142 -0.000) 2.142 10.072 ( 0.000 0.531 0.000) 0.531 10.142 ( 0.000 13.764 0.000) 13.764 10.393 ( 0.000 -7.146 0.000) 7.146 10.416 ( 0.000 16.181 0.000) 16.181 10.687 ( -0.000 -4.475 0.000) 4.475 10.785 ( 0.000 -10.707 0.000) 10.707 10.881 ( 0.000 -8.069 0.000) 8.069 11.049 ( 0.000 0.250 -0.000) 0.250 11.069 ( 0.000 -0.928 -0.000) 0.928 11.268 ( 0.000 3.761 -0.000) 3.761 11.407 ( 0.000 -7.611 0.000) 7.611 11.533 ( 0.000 -5.934 0.000) 5.934 11.551 ( 0.000 -7.892 0.000) 7.892 11.670 ( 0.000 1.137 0.000) 1.137 11.718 ( 0.000 -3.373 0.000) 3.373 12.144 ( 0.000 1.792 -0.000) 1.792 12.160 ( 0.000 0.377 0.000) 0.377 12.802 ( 0.000 19.399 0.000) 19.399 12.917 ( 0.000 9.191 0.000) 9.191 12.974 ( 0.000 -0.143 0.000) 0.143 13.130 ( 0.000 -10.619 0.000) 10.619 13.296 ( 0.000 10.784 0.000) 10.784 13.462 ( 0.000 1.310 0.000) 1.310 13.561 ( 0.000 -5.310 -0.000) 5.310 13.642 ( 0.000 -6.579 -0.000) 6.579 13.895 ( 0.000 3.689 0.000) 3.689 13.977 ( 0.000 -4.048 0.000) 4.048 14.094 ( 0.000 -1.885 0.000) 1.885 14.100 ( -0.000 -1.778 0.000) 1.778 14.552 ( 0.000 7.681 0.000) 7.681 14.753 ( 0.000 -10.616 -0.000) 10.616 14.810 ( -0.000 13.007 0.000) 13.007 15.083 ( 0.000 -13.719 0.000) 13.719 15.108 ( -0.000 5.000 -0.000) 5.000 15.267 ( 0.000 -11.094 0.000) 11.094 15.338 ( 0.000 13.119 0.000) 13.119 15.612 ( 0.000 -12.452 0.000) 12.452 16.006 ( 0.000 7.414 0.000) 7.414 16.130 ( 0.000 -4.592 0.000) 4.592 16.664 ( 0.000 -0.111 0.000) 0.111 16.669 ( 0.000 0.413 -0.000) 0.413 16.786 ( 0.000 0.572 -0.000) 0.572 16.804 ( 0.000 -2.115 0.000) 2.115 17.142 ( 0.000 5.153 -0.000) 5.153 17.213 ( 0.000 -1.508 0.000) 1.508 19.986 ( 0.000 3.552 0.000) 3.552 20.065 ( 0.000 -4.259 0.000) 4.259 20.111 ( 0.000 2.834 0.000) 2.834 20.174 ( 0.000 -3.221 0.000) 3.221 20.519 ( 0.000 -0.325 0.000) 0.325 20.525 ( 0.000 -0.886 -0.000) 0.886 20.673 ( 0.000 2.401 0.000) 2.401 20.718 ( 0.000 -1.807 0.000) 1.807 21.010 ( 0.000 6.306 0.000) 6.306 21.165 ( 0.000 -8.689 -0.000) 8.689 21.224 ( 0.000 9.836 0.000) 9.836 21.388 ( 0.000 -5.337 0.000) 5.337 21.495 ( 0.000 9.329 -0.000) 9.329 21.539 ( 0.000 -0.088 0.000) 0.088 21.633 ( 0.000 -4.875 0.000) 4.875 21.712 ( 0.000 -6.910 0.000) 6.910 22.026 ( 0.000 5.276 0.000) 5.276 22.063 ( 0.000 2.317 0.000) 2.317 22.130 ( 0.000 3.625 -0.000) 3.625 22.155 ( 0.000 1.301 0.000) 1.301 22.217 ( 0.000 -4.194 -0.000) 4.194 22.222 ( -0.000 -4.032 0.000) 4.032 22.446 ( 0.000 2.613 0.000) 2.613 22.499 ( 0.000 -2.231 -0.000) 2.231 23.432 ( 0.000 0.538 0.000) 0.538 23.440 ( 0.000 -0.093 0.000) 0.093 23.632 ( 0.000 8.832 0.000) 8.832 23.805 ( 0.000 -7.468 0.000) 7.468 24.503 ( 0.000 1.904 0.000) 1.904 24.555 ( 0.000 -2.929 0.000) 2.929 24.663 ( -0.000 3.196 0.000) 3.196 24.721 ( 0.000 -2.518 0.000) 2.518 25.061 ( 0.000 3.073 0.000) 3.073 25.105 ( 0.000 -0.094 0.000) 0.094 25.110 ( -0.000 0.238 -0.000) 0.238 25.125 ( 0.000 -2.257 -0.000) 2.257 25.445 ( 0.000 5.755 -0.000) 5.755 25.556 ( 0.000 -4.940 0.000) 4.940 25.901 ( 0.000 1.799 -0.000) 1.799 25.915 ( 0.000 2.598 0.000) 2.598 26.171 ( 0.000 3.720 0.000) 3.720 26.303 ( 0.000 -7.049 0.000) 7.049 26.396 ( 0.000 6.127 0.000) 6.127 26.434 ( 0.000 6.100 0.000) 6.100 26.491 ( 0.000 -0.938 0.000) 0.938 26.547 ( 0.000 -7.982 0.000) 7.982 26.600 ( 0.000 5.449 0.000) 5.449 26.685 ( 0.000 10.149 0.000) 10.149 26.797 ( 0.000 -11.494 0.000) 11.494 26.903 ( 0.000 -10.509 0.000) 10.509 26.942 ( 0.000 5.554 0.000) 5.554 27.069 ( 0.000 -6.885 0.000) 6.885 27.406 ( 0.000 4.060 0.000) 4.060 27.498 ( 0.000 -4.890 0.000) 4.890 28.406 ( 0.000 1.248 0.000) 1.248 28.419 ( 0.000 -0.026 0.000) 0.026 28.863 ( -0.000 0.458 0.000) 0.458 28.876 ( 0.000 -0.918 -0.000) 0.918 29.698 ( 0.000 4.096 0.000) 4.096 29.781 ( 0.000 -3.869 0.000) 3.869 ======================= Grid point 55 (19/78) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -3.521 0.000 32.651) 32.840 0.769 ( -1.692 0.000 36.797) 36.836 1.446 ( -11.472 0.000 55.372) 56.548 1.600 ( 0.039 0.000 4.107) 4.107 1.681 ( -0.622 0.000 10.522) 10.540 1.901 ( 9.438 0.000 8.272) 12.549 1.983 ( 4.751 0.000 15.402) 16.118 2.221 ( 1.155 0.000 7.941) 8.025 2.402 ( 5.976 0.000 -7.654) 9.710 2.454 ( 2.184 0.000 -4.668) 5.154 2.683 ( -1.777 0.000 4.082) 4.452 2.830 ( -4.965 0.000 -0.794) 5.028 2.848 ( -0.496 0.000 -6.224) 6.243 3.199 ( -0.335 0.000 3.191) 3.208 3.294 ( 3.161 0.000 -5.944) 6.733 3.386 ( 0.145 0.000 -6.132) 6.133 3.642 ( -4.290 0.000 2.239) 4.839 3.689 ( 1.369 0.000 -4.065) 4.289 3.756 ( -0.659 0.000 8.148) 8.175 3.855 ( 8.744 0.000 12.642) 15.372 3.882 ( -2.131 0.000 -2.185) 3.052 4.009 ( 2.126 0.000 1.164) 2.423 4.205 ( -1.512 0.000 -5.672) 5.870 4.551 ( -1.072 0.000 -1.276) 1.666 4.588 ( -2.602 0.000 4.773) 5.436 4.810 ( 10.425 0.000 2.030) 10.620 4.934 ( -2.994 0.000 -9.778) 10.226 5.591 ( -6.574 0.000 8.817) 10.998 5.739 ( -1.423 0.000 -21.687) 21.734 5.979 ( 0.194 0.000 2.010) 2.019 6.108 ( -5.135 0.000 19.289) 19.961 6.282 ( -1.021 0.000 -16.633) 16.664 6.414 ( 0.700 0.000 5.431) 5.476 6.593 ( -11.769 0.000 20.585) 23.712 6.710 ( 2.023 0.000 -1.257) 2.382 7.306 ( 2.676 0.000 -2.899) 3.946 7.361 ( 1.671 0.000 6.839) 7.040 7.611 ( 1.278 0.000 9.472) 9.558 7.665 ( 5.255 0.000 -19.319) 20.021 7.875 ( 0.960 0.000 18.556) 18.581 8.066 ( -8.571 0.000 -10.567) 13.606 8.133 ( -4.167 0.000 14.409) 14.999 8.275 ( 3.745 0.000 -8.593) 9.374 8.561 ( -0.439 0.000 -29.687) 29.691 8.888 ( -2.632 0.000 3.847) 4.661 9.071 ( 11.933 0.000 -4.440) 12.732 9.211 ( -12.363 0.000 -0.936) 12.398 9.264 ( -0.984 0.000 -5.412) 5.500 9.493 ( 1.024 0.000 -1.653) 1.944 9.558 ( 9.947 0.000 5.463) 11.348 9.798 ( -2.545 0.000 -19.840) 20.003 10.009 ( -1.579 0.000 0.586) 1.684 10.331 ( 7.193 0.000 -11.494) 13.559 10.361 ( -9.602 0.000 0.376) 9.610 10.536 ( -3.530 0.000 -2.447) 4.295 10.689 ( 3.438 0.000 1.752) 3.859 10.741 ( 6.466 0.000 1.789) 6.709 10.973 ( 3.123 0.000 -4.599) 5.559 11.064 ( -4.479 0.000 8.953) 10.011 11.133 ( -9.667 0.000 -0.724) 9.694 11.314 ( 14.158 0.000 -3.084) 14.490 11.343 ( -8.051 0.000 -3.498) 8.778 11.633 ( -22.080 0.000 -0.393) 22.084 11.846 ( 1.635 0.000 -5.865) 6.089 11.940 ( -2.224 0.000 9.663) 9.916 11.957 ( 1.132 0.000 -5.836) 5.945 12.208 ( -0.861 0.000 19.975) 19.993 12.268 ( 8.028 0.000 7.794) 11.189 12.350 ( -7.725 0.000 0.536) 7.744 12.547 ( 11.231 0.000 -3.699) 11.825 12.552 ( 18.697 0.000 3.463) 19.015 12.708 ( -3.680 0.000 -0.789) 3.764 12.984 ( -8.520 0.000 -2.320) 8.830 13.007 ( 6.075 0.000 2.915) 6.738 13.208 ( -1.880 0.000 -9.125) 9.317 13.489 ( 1.616 0.000 5.715) 5.939 13.735 ( -12.152 0.000 5.954) 13.532 13.741 ( 5.510 0.000 6.301) 8.370 14.017 ( -0.713 0.000 -9.537) 9.564 14.106 ( 1.317 0.000 -1.375) 1.904 14.260 ( 2.308 0.000 -7.492) 7.839 14.805 ( 3.423 0.000 -19.485) 19.784 15.396 ( 8.717 0.000 2.437) 9.051 15.499 ( 5.348 0.000 3.512) 6.398 15.598 ( -11.442 0.000 10.077) 15.247 15.758 ( -3.981 0.000 -1.738) 4.344 15.823 ( -0.653 0.000 1.791) 1.907 15.900 ( -2.155 0.000 -3.700) 4.281 16.034 ( -0.729 0.000 13.872) 13.891 16.186 ( 7.436 0.000 6.399) 9.810 16.401 ( -2.154 0.000 -5.616) 6.015 17.050 ( -0.307 0.000 1.433) 1.466 17.051 ( 1.351 0.000 1.910) 2.339 17.376 ( 1.631 0.000 25.847) 25.898 17.642 ( -0.433 0.000 -17.517) 17.523 19.038 ( -2.133 0.000 -14.546) 14.701 20.077 ( 3.923 0.000 3.125) 5.016 20.150 ( -5.346 0.000 6.787) 8.640 20.407 ( 3.551 0.000 -3.844) 5.233 20.572 ( -3.880 0.000 -1.229) 4.070 20.575 ( -3.674 0.000 4.413) 5.742 20.601 ( 3.710 0.000 1.191) 3.896 20.703 ( -4.011 0.000 -3.687) 5.448 20.932 ( 6.473 0.000 -2.320) 6.876 20.956 ( -2.060 0.000 0.221) 2.071 21.055 ( 0.399 0.000 3.227) 3.251 21.105 ( -2.721 0.000 -3.342) 4.309 21.524 ( 6.683 0.000 -11.437) 13.246 21.610 ( -1.924 0.000 -2.022) 2.791 21.686 ( -3.856 0.000 -8.000) 8.881 21.723 ( 2.328 0.000 1.405) 2.719 21.779 ( -0.684 0.000 5.480) 5.523 21.830 ( -2.709 0.000 1.770) 3.236 21.912 ( -0.422 0.000 -1.076) 1.156 22.096 ( 10.466 0.000 1.382) 10.557 22.157 ( 1.502 0.000 -4.755) 4.987 22.538 ( -3.486 0.000 -3.506) 4.944 22.545 ( 3.073 0.000 -5.696) 6.473 22.952 ( 5.619 0.000 11.076) 12.420 23.027 ( -6.324 0.000 0.597) 6.352 23.148 ( 2.127 0.000 5.284) 5.697 23.158 ( -11.312 0.000 4.655) 12.232 23.331 ( 17.082 0.000 4.645) 17.703 23.521 ( 10.251 0.000 -1.529) 10.365 23.548 ( -6.109 0.000 -0.413) 6.123 24.169 ( -3.029 0.000 -6.539) 7.207 24.545 ( -2.926 0.000 2.422) 3.798 24.628 ( -0.200 0.000 5.777) 5.780 24.674 ( -1.454 0.000 0.392) 1.506 24.970 ( -3.457 0.000 -4.820) 5.931 25.073 ( -2.434 0.000 0.673) 2.525 25.079 ( 2.429 0.000 0.679) 2.522 25.243 ( 18.992 0.000 -0.150) 18.993 25.483 ( -0.206 0.000 -8.056) 8.059 25.817 ( 0.947 0.000 0.402) 1.029 25.880 ( -1.539 0.000 -2.112) 2.613 26.034 ( -1.741 0.000 1.443) 2.261 26.118 ( -0.316 0.000 4.813) 4.823 26.197 ( 3.104 0.000 -0.699) 3.182 26.202 ( -6.436 0.000 8.778) 10.884 26.472 ( 1.734 0.000 -4.836) 5.138 26.590 ( -23.191 0.000 2.096) 23.285 26.640 ( 20.083 0.000 1.859) 20.169 26.702 ( 1.032 0.000 -2.739) 2.927 26.809 ( -9.068 0.000 -3.491) 9.717 26.892 ( 3.552 0.000 -3.162) 4.756 26.922 ( -4.371 0.000 4.557) 6.315 27.075 ( 5.178 0.000 -3.098) 6.033 27.234 ( 17.943 0.000 1.879) 18.041 27.320 ( -4.643 0.000 0.936) 4.737 27.792 ( -2.728 0.000 1.136) 2.955 28.023 ( 10.406 0.000 -8.927) 13.710 28.630 ( -6.373 0.000 18.796) 19.848 29.626 ( 2.112 0.000 -9.995) 10.216 29.981 ( 4.280 0.000 1.514) 4.540 30.046 ( -30.811 0.000 -0.805) 30.821 ======================= Grid point 56 (20/78) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 11.075 0.000 18.771) 21.795 1.308 ( 18.258 0.000 14.415) 23.262 1.503 ( -6.596 0.000 17.496) 18.698 1.664 ( 3.674 0.000 5.279) 6.432 1.960 ( 12.328 0.000 3.325) 12.768 2.026 ( 6.067 0.000 0.105) 6.068 2.298 ( -0.013 0.000 7.942) 7.942 2.494 ( 10.513 0.000 -5.810) 12.012 2.538 ( 11.431 0.000 -1.875) 11.583 2.554 ( 9.579 0.000 34.496) 35.802 2.704 ( 12.225 0.000 6.971) 14.072 2.786 ( 0.675 0.000 -1.467) 1.615 2.910 ( 6.397 0.000 3.490) 7.288 3.212 ( 0.227 0.000 -1.016) 1.041 3.297 ( -1.915 0.000 -3.964) 4.402 3.355 ( 8.124 0.000 -5.670) 9.907 3.652 ( -2.879 0.000 9.161) 9.603 3.701 ( 7.555 0.000 -7.143) 10.397 3.756 ( -4.982 0.000 4.406) 6.650 3.860 ( 0.881 0.000 -2.869) 3.002 4.075 ( 1.380 0.000 -11.283) 11.367 4.122 ( 9.101 0.000 2.158) 9.353 4.210 ( 10.848 0.000 17.518) 20.605 4.465 ( -4.207 0.000 -7.122) 8.272 4.626 ( 0.434 0.000 7.200) 7.213 4.760 ( -4.103 0.000 -11.228) 11.954 4.982 ( 7.336 0.000 -3.566) 8.157 5.517 ( 3.681 0.000 -28.680) 28.915 5.570 ( -4.377 0.000 17.447) 17.988 6.169 ( 3.911 0.000 24.243) 24.557 6.322 ( 22.405 0.000 -14.816) 26.861 6.325 ( 7.294 0.000 16.698) 18.222 6.604 ( -2.199 0.000 17.000) 17.142 6.671 ( 14.733 0.000 11.011) 18.393 6.813 ( 9.070 0.000 -7.909) 12.034 7.312 ( 4.560 0.000 -4.099) 6.132 7.447 ( -3.077 0.000 12.750) 13.116 7.482 ( 3.504 0.000 -27.473) 27.695 7.743 ( 2.305 0.000 10.551) 10.800 7.772 ( -10.617 0.000 -15.326) 18.644 8.071 ( -11.659 0.000 -25.447) 27.990 8.112 ( -0.309 0.000 22.027) 22.029 8.226 ( -2.066 0.000 20.467) 20.571 8.332 ( 3.904 0.000 -17.515) 17.945 8.808 ( -6.093 0.000 7.736) 9.847 8.843 ( -13.924 0.000 -13.787) 19.595 9.203 ( 2.787 0.000 -7.765) 8.250 9.253 ( 10.376 0.000 -11.405) 15.418 9.620 ( -0.969 0.000 -8.539) 8.594 9.651 ( 13.386 0.000 -3.999) 13.970 9.908 ( 17.805 0.000 11.473) 21.181 10.041 ( 7.111 0.000 2.668) 7.595 10.306 ( 0.301 0.000 -4.911) 4.920 10.366 ( 2.778 0.000 2.261) 3.581 10.521 ( 6.106 0.000 -6.710) 9.072 10.713 ( -2.829 0.000 -12.356) 12.675 10.830 ( -4.535 0.000 -7.625) 8.871 10.881 ( 3.259 0.000 2.876) 4.347 11.052 ( 0.752 0.000 5.677) 5.726 11.068 ( -3.972 0.000 -3.591) 5.355 11.202 ( 0.010 0.000 6.155) 6.155 11.260 ( -22.572 0.000 6.937) 23.614 11.536 ( 8.987 0.000 2.374) 9.295 11.844 ( -2.200 0.000 2.667) 3.457 11.899 ( 0.122 0.000 -2.566) 2.568 11.977 ( -7.834 0.000 9.321) 12.176 12.170 ( -6.072 0.000 -2.281) 6.486 12.291 ( -2.699 0.000 3.426) 4.362 12.463 ( 6.464 0.000 -0.741) 6.506 12.630 ( -0.974 0.000 -9.356) 9.407 12.738 ( 1.718 0.000 8.965) 9.128 12.767 ( 2.190 0.000 0.889) 2.364 12.825 ( 6.204 0.000 0.250) 6.209 13.080 ( 3.574 0.000 -1.816) 4.009 13.221 ( 1.804 0.000 8.438) 8.629 13.594 ( -6.064 0.000 0.289) 6.071 13.633 ( 2.801 0.000 8.155) 8.623 13.824 ( -0.166 0.000 2.562) 2.567 13.867 ( -3.231 0.000 -12.546) 12.955 14.171 ( 5.871 0.000 0.914) 5.942 14.251 ( 4.673 0.000 -9.393) 10.492 14.612 ( -3.540 0.000 -18.981) 19.308 15.452 ( -9.468 0.000 3.171) 9.984 15.476 ( -1.741 0.000 7.312) 7.516 15.571 ( -3.328 0.000 2.278) 4.033 15.705 ( -0.916 0.000 4.409) 4.503 15.746 ( -5.255 0.000 -6.133) 8.076 15.889 ( 2.558 0.000 1.933) 3.206 16.144 ( -2.874 0.000 15.377) 15.643 16.391 ( 4.379 0.000 -7.557) 8.734 16.425 ( 7.828 0.000 9.837) 12.572 17.024 ( -3.628 0.000 0.536) 3.668 17.074 ( -1.462 0.000 2.018) 2.492 17.342 ( -10.949 0.000 -23.378) 25.815 17.625 ( -7.667 0.000 34.569) 35.409 18.681 ( -16.188 0.000 -24.870) 29.674 20.121 ( -3.482 0.000 4.737) 5.879 20.221 ( 5.384 0.000 4.528) 7.035 20.352 ( -3.290 0.000 -8.084) 8.728 20.475 ( -6.404 0.000 3.628) 7.361 20.549 ( -2.534 0.000 2.954) 3.892 20.625 ( 0.273 0.000 -5.601) 5.608 20.740 ( 8.081 0.000 4.122) 9.072 20.915 ( -2.256 0.000 0.289) 2.275 21.005 ( 2.187 0.000 -0.814) 2.334 21.038 ( -1.844 0.000 -3.510) 3.965 21.089 ( -0.701 0.000 4.973) 5.023 21.445 ( -0.460 0.000 -13.629) 13.637 21.538 ( -4.687 0.000 -3.711) 5.978 21.538 ( -4.455 0.000 -0.365) 4.470 21.786 ( -3.200 0.000 -0.345) 3.219 21.786 ( -2.924 0.000 3.817) 4.808 21.819 ( 4.393 0.000 2.272) 4.946 21.923 ( 2.214 0.000 -1.208) 2.522 22.099 ( -2.988 0.000 -2.011) 3.602 22.238 ( 5.815 0.000 -1.991) 6.146 22.352 ( -10.120 0.000 -5.656) 11.594 22.466 ( -6.789 0.000 -1.735) 7.007 22.939 ( -6.420 0.000 3.707) 7.413 23.050 ( -5.035 0.000 4.326) 6.638 23.202 ( 9.744 0.000 -0.896) 9.785 23.274 ( 8.576 0.000 -1.647) 8.733 23.508 ( 0.926 0.000 9.401) 9.447 23.624 ( 14.915 0.000 0.943) 14.945 23.662 ( 1.532 0.000 2.524) 2.952 24.141 ( 11.528 0.000 -9.995) 15.258 24.575 ( 0.887 0.000 5.223) 5.298 24.652 ( -1.111 0.000 -1.110) 1.570 24.738 ( 4.634 0.000 7.350) 8.689 24.875 ( -1.047 0.000 -6.226) 6.314 25.041 ( -1.645 0.000 -0.347) 1.681 25.148 ( 4.639 0.000 -0.010) 4.639 25.345 ( -0.271 0.000 -1.915) 1.934 25.413 ( 1.966 0.000 -8.128) 8.363 25.784 ( -5.171 0.000 -0.513) 5.197 25.813 ( -1.877 0.000 0.424) 1.924 26.048 ( 1.344 0.000 1.565) 2.063 26.144 ( 0.002 0.000 1.933) 1.933 26.223 ( -2.870 0.000 8.621) 9.086 26.258 ( 2.414 0.000 3.471) 4.228 26.397 ( -3.052 0.000 -0.220) 3.060 26.578 ( -8.846 0.000 -1.547) 8.980 26.608 ( 8.291 0.000 5.499) 9.949 26.764 ( 5.861 0.000 -3.299) 6.726 26.780 ( -0.601 0.000 2.008) 2.096 26.864 ( 2.132 0.000 -11.571) 11.766 26.993 ( 6.802 0.000 -0.422) 6.815 27.235 ( 4.973 0.000 0.575) 5.006 27.249 ( 3.398 0.000 -1.274) 3.629 27.612 ( 25.964 0.000 -9.814) 27.757 27.709 ( -7.102 0.000 -0.214) 7.105 28.117 ( 10.945 0.000 -10.517) 15.180 28.721 ( -4.804 0.000 19.354) 19.941 29.545 ( 0.762 0.000 -10.556) 10.583 29.571 ( -28.937 0.000 15.106) 32.642 30.040 ( -0.726 0.000 4.177) 4.239 ======================= Grid point 57 (21/78) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.410 0.000 3.326) 3.352 1.299 ( -7.658 0.000 2.303) 7.997 1.786 ( -0.879 0.000 9.048) 9.090 1.866 ( 12.208 0.000 6.153) 13.671 2.165 ( 15.698 0.000 5.196) 16.535 2.238 ( 13.809 0.000 1.557) 13.897 2.454 ( 8.153 0.000 6.506) 10.431 2.566 ( 6.404 0.000 -6.844) 9.372 2.694 ( 4.640 0.000 1.167) 4.784 2.720 ( 5.922 0.000 -0.285) 5.929 2.804 ( 4.311 0.000 -1.908) 4.715 2.994 ( 4.960 0.000 1.828) 5.286 3.168 ( 7.806 0.000 4.757) 9.142 3.210 ( -1.672 0.000 -4.556) 4.853 3.255 ( 5.997 0.000 2.548) 6.516 3.498 ( 7.724 0.000 2.755) 8.200 3.635 ( -3.064 0.000 3.057) 4.328 3.747 ( 3.253 0.000 1.383) 3.535 3.802 ( -0.886 0.000 6.448) 6.509 3.848 ( 0.282 0.000 -1.269) 1.300 4.135 ( 14.914 0.000 -4.411) 15.553 4.310 ( -3.791 0.000 -0.627) 3.843 4.316 ( 11.037 0.000 -6.173) 12.646 4.463 ( 5.303 0.000 5.083) 7.345 4.603 ( -1.523 0.000 -11.488) 11.588 4.858 ( 8.698 0.000 19.179) 21.060 5.019 ( 7.144 0.000 -4.032) 8.204 5.325 ( 6.065 0.000 -27.148) 27.818 5.753 ( -1.569 0.000 26.149) 26.196 6.447 ( -1.918 0.000 21.547) 21.633 6.501 ( -7.322 0.000 23.070) 24.204 6.524 ( -0.363 0.000 -18.980) 18.984 6.724 ( 11.105 0.000 -16.319) 19.739 6.850 ( 17.435 0.000 10.476) 20.340 7.207 ( 28.934 0.000 11.907) 31.289 7.257 ( -0.546 0.000 -26.742) 26.748 7.385 ( -13.086 0.000 -13.486) 18.791 7.497 ( -7.181 0.000 15.662) 17.230 7.550 ( 17.807 0.000 -11.605) 21.255 7.731 ( 13.850 0.000 -24.558) 28.194 7.886 ( 2.685 0.000 11.587) 11.894 8.228 ( 0.480 0.000 15.078) 15.085 8.237 ( -1.078 0.000 -7.566) 7.643 8.507 ( -5.946 0.000 -14.702) 15.859 8.523 ( 6.565 0.000 25.104) 25.948 8.918 ( 3.082 0.000 16.818) 17.098 9.199 ( 8.376 0.000 -12.475) 15.026 9.275 ( 7.521 0.000 -16.623) 18.245 9.574 ( -0.675 0.000 1.234) 1.407 9.750 ( 5.482 0.000 -11.111) 12.390 10.083 ( -9.962 0.000 1.435) 10.065 10.172 ( 4.287 0.000 -8.288) 9.331 10.396 ( -10.799 0.000 8.268) 13.601 10.415 ( 17.532 0.000 -0.816) 17.551 10.510 ( 6.157 0.000 -7.652) 9.822 10.649 ( 7.597 0.000 6.693) 10.125 10.749 ( 0.317 0.000 -9.233) 9.239 10.757 ( -7.584 0.000 -5.824) 9.562 10.998 ( 5.960 0.000 -4.809) 7.659 11.009 ( -14.530 0.000 9.213) 17.205 11.344 ( 6.512 0.000 3.870) 7.575 11.359 ( 15.350 0.000 15.965) 22.148 11.662 ( 2.624 0.000 3.139) 4.091 11.759 ( -11.617 0.000 -8.855) 14.607 11.799 ( -3.922 0.000 1.248) 4.116 11.933 ( 0.603 0.000 4.485) 4.525 12.131 ( -5.928 0.000 3.429) 6.849 12.274 ( -2.009 0.000 1.024) 2.255 12.426 ( -9.425 0.000 2.829) 9.840 12.510 ( -3.236 0.000 -0.169) 3.240 12.839 ( 12.939 0.000 -6.939) 14.682 12.897 ( 5.479 0.000 8.806) 10.372 13.011 ( 12.554 0.000 -3.264) 12.971 13.149 ( 4.983 0.000 -3.387) 6.025 13.364 ( 0.850 0.000 12.781) 12.809 13.464 ( -3.821 0.000 -6.582) 7.610 13.680 ( 0.907 0.000 -9.717) 9.759 13.812 ( -3.294 0.000 2.743) 4.287 13.837 ( 5.649 0.000 13.048) 14.218 14.218 ( 1.876 0.000 -7.961) 8.179 14.276 ( 3.827 0.000 0.638) 3.880 14.375 ( -3.230 0.000 -15.502) 15.835 15.337 ( -10.572 0.000 5.531) 11.932 15.453 ( -9.559 0.000 3.960) 10.347 15.512 ( 1.349 0.000 -6.718) 6.853 15.612 ( -1.055 0.000 -7.133) 7.211 15.749 ( -1.768 0.000 5.700) 5.968 15.981 ( 3.553 0.000 5.134) 6.244 16.207 ( -12.051 0.000 23.227) 26.167 16.396 ( 4.576 0.000 -5.838) 7.418 16.620 ( 7.018 0.000 4.497) 8.335 16.855 ( -17.331 0.000 -25.635) 30.944 16.949 ( -5.022 0.000 -0.046) 5.022 17.037 ( -4.408 0.000 1.070) 4.536 17.744 ( -17.926 0.000 33.644) 38.122 18.072 ( -23.449 0.000 -28.201) 36.677 20.098 ( -4.255 0.000 3.615) 5.583 20.209 ( -4.713 0.000 -4.863) 6.772 20.291 ( -0.625 0.000 -0.106) 0.634 20.412 ( -4.830 0.000 2.060) 5.251 20.552 ( -0.098 0.000 2.472) 2.474 20.587 ( -0.339 0.000 -3.223) 3.241 20.869 ( 3.399 0.000 -1.587) 3.751 20.919 ( -5.300 0.000 -6.052) 8.044 20.953 ( 3.620 0.000 5.873) 6.899 20.984 ( -4.408 0.000 -2.311) 4.977 21.142 ( 0.806 0.000 5.909) 5.964 21.353 ( 1.999 0.000 -6.754) 7.043 21.476 ( -4.124 0.000 3.886) 5.667 21.478 ( 0.184 0.000 0.922) 0.940 21.705 ( -7.393 0.000 -0.163) 7.394 21.738 ( -1.416 0.000 -0.418) 1.477 21.912 ( 1.533 0.000 5.023) 5.252 21.941 ( 2.715 0.000 -4.113) 4.928 22.056 ( -3.214 0.000 2.848) 4.294 22.196 ( 0.158 0.000 -4.461) 4.464 22.270 ( 0.708 0.000 -2.794) 2.882 22.331 ( -6.971 0.000 0.342) 6.979 22.846 ( -8.023 0.000 1.489) 8.160 22.916 ( -9.781 0.000 -5.131) 11.045 23.327 ( 4.766 0.000 1.061) 4.883 23.364 ( 6.264 0.000 -7.059) 9.438 23.618 ( -5.230 0.000 -0.623) 5.267 23.639 ( 7.789 0.000 2.242) 8.106 23.971 ( 16.494 0.000 10.546) 19.577 24.335 ( 16.760 0.000 -5.443) 17.622 24.605 ( -2.142 0.000 -2.632) 3.394 24.654 ( 2.192 0.000 5.141) 5.589 24.836 ( 3.483 0.000 -5.701) 6.680 24.916 ( 7.321 0.000 7.954) 10.811 25.012 ( -1.238 0.000 -0.497) 1.334 25.176 ( 0.173 0.000 -4.110) 4.114 25.305 ( -2.662 0.000 0.142) 2.666 25.454 ( 10.978 0.000 -5.023) 12.072 25.715 ( -2.924 0.000 -0.262) 2.936 25.775 ( -2.571 0.000 0.414) 2.604 26.094 ( 2.609 0.000 0.881) 2.753 26.169 ( 1.979 0.000 0.274) 1.998 26.231 ( -2.423 0.000 2.587) 3.544 26.349 ( 2.766 0.000 6.276) 6.858 26.386 ( 0.124 0.000 2.440) 2.444 26.475 ( -2.834 0.000 -0.116) 2.836 26.742 ( -1.474 0.000 -6.886) 7.042 26.744 ( -0.119 0.000 2.247) 2.250 26.857 ( 6.144 0.000 -8.161) 10.215 26.863 ( 8.532 0.000 4.529) 9.660 27.074 ( 2.428 0.000 1.081) 2.658 27.184 ( -0.297 0.000 -1.384) 1.416 27.429 ( 7.766 0.000 -0.297) 7.772 27.576 ( -6.744 0.000 -0.195) 6.747 27.900 ( 19.454 0.000 -9.463) 21.634 28.186 ( 9.581 0.000 -10.965) 14.561 28.828 ( -4.020 0.000 17.732) 18.182 29.311 ( -19.197 0.000 13.312) 23.361 29.474 ( 2.618 0.000 -9.262) 9.625 30.037 ( -4.323 0.000 4.306) 6.102 ======================= Grid point 58 (22/78) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -8.735 0.000 9.676) 13.036 1.252 ( -0.831 0.000 -0.448) 0.944 1.715 ( -6.127 0.000 -2.506) 6.620 2.111 ( 8.559 0.000 4.088) 9.485 2.398 ( 8.444 0.000 1.217) 8.532 2.433 ( -1.898 0.000 -11.752) 11.904 2.518 ( 12.808 0.000 1.777) 12.931 2.699 ( 0.401 0.000 -7.411) 7.422 2.732 ( 8.981 0.000 -0.248) 8.984 2.785 ( 6.296 0.000 -1.489) 6.470 2.905 ( 5.934 0.000 3.170) 6.728 3.088 ( 5.036 0.000 2.665) 5.697 3.213 ( 4.503 0.000 0.606) 4.544 3.278 ( -2.764 0.000 -2.566) 3.771 3.305 ( 6.115 0.000 2.028) 6.442 3.588 ( -0.256 0.000 4.680) 4.687 3.659 ( 1.387 0.000 3.402) 3.674 3.823 ( -2.268 0.000 0.295) 2.287 3.833 ( 1.257 0.000 2.090) 2.439 3.916 ( 6.699 0.000 2.310) 7.086 4.258 ( 1.466 0.000 0.290) 1.495 4.285 ( 5.969 0.000 4.014) 7.193 4.481 ( 1.098 0.000 -9.643) 9.705 4.498 ( 10.303 0.000 -2.360) 10.570 4.602 ( 6.338 0.000 -0.497) 6.357 4.928 ( 1.165 0.000 -2.351) 2.623 5.228 ( 10.297 0.000 -20.284) 22.748 5.382 ( 14.811 0.000 16.743) 22.353 5.961 ( -4.051 0.000 24.972) 25.298 6.121 ( -14.140 0.000 -17.518) 22.513 6.442 ( -13.480 0.000 17.852) 22.369 6.645 ( -5.528 0.000 -21.979) 22.664 6.673 ( -4.161 0.000 21.216) 21.621 6.931 ( -5.586 0.000 -14.170) 15.232 7.192 ( -0.327 0.000 -11.345) 11.350 7.197 ( 8.877 0.000 9.163) 12.758 7.496 ( -9.656 0.000 14.414) 17.349 7.600 ( 8.332 0.000 -15.161) 17.300 7.714 ( 10.174 0.000 15.130) 18.233 8.035 ( 26.715 0.000 -7.207) 27.670 8.113 ( 14.208 0.000 8.192) 16.401 8.168 ( 1.846 0.000 -5.733) 6.023 8.502 ( 23.756 0.000 -18.040) 29.830 8.539 ( 20.682 0.000 8.854) 22.498 8.887 ( 7.497 0.000 24.407) 25.532 9.085 ( -0.451 0.000 6.763) 6.778 9.195 ( 3.167 0.000 -16.500) 16.801 9.238 ( 10.957 0.000 -14.476) 18.155 9.611 ( 1.899 0.000 3.195) 3.717 9.701 ( 4.347 0.000 -3.603) 5.646 9.871 ( -14.595 0.000 5.476) 15.589 10.066 ( -2.061 0.000 -12.550) 12.718 10.221 ( -17.255 0.000 5.614) 18.145 10.418 ( -15.350 0.000 -4.787) 16.079 10.568 ( 3.026 0.000 -9.177) 9.663 10.701 ( 7.118 0.000 -0.148) 7.119 10.777 ( 13.644 0.000 -2.312) 13.839 10.809 ( -4.561 0.000 17.486) 18.071 11.062 ( 10.077 0.000 -2.984) 10.510 11.162 ( 11.539 0.000 -0.583) 11.554 11.452 ( 7.735 0.000 -6.983) 10.421 11.532 ( -1.256 0.000 -1.666) 2.086 11.731 ( 6.409 0.000 4.441) 7.797 11.760 ( 9.858 0.000 5.512) 11.294 11.775 ( 0.026 0.000 1.538) 1.538 11.935 ( -6.369 0.000 5.111) 8.166 12.011 ( -4.991 0.000 -2.958) 5.802 12.179 ( -7.768 0.000 -5.935) 9.776 12.327 ( -9.227 0.000 13.148) 16.063 12.438 ( -10.551 0.000 4.507) 11.473 13.036 ( -1.799 0.000 -10.093) 10.252 13.062 ( 18.231 0.000 -8.711) 20.205 13.105 ( 7.209 0.000 2.861) 7.756 13.215 ( 16.727 0.000 -4.223) 17.252 13.449 ( -2.134 0.000 8.260) 8.531 13.466 ( 5.052 0.000 -1.524) 5.277 13.634 ( 6.483 0.000 -5.485) 8.492 13.802 ( -1.189 0.000 4.482) 4.637 14.195 ( 2.489 0.000 -3.295) 4.130 14.202 ( 10.207 0.000 23.115) 25.268 14.233 ( 1.614 0.000 -9.518) 9.654 14.293 ( 3.160 0.000 -2.375) 3.953 15.189 ( -12.882 0.000 6.083) 14.246 15.239 ( -14.103 0.000 -3.682) 14.576 15.478 ( 2.206 0.000 -10.601) 10.828 15.553 ( -0.461 0.000 -5.185) 5.205 15.715 ( -6.942 0.000 2.441) 7.359 16.053 ( -1.174 0.000 -3.059) 3.276 16.197 ( -16.457 0.000 26.350) 31.067 16.321 ( -15.245 0.000 -15.452) 21.706 16.460 ( 6.283 0.000 -3.190) 7.047 16.738 ( 3.557 0.000 -0.200) 3.563 16.874 ( -3.083 0.000 0.044) 3.084 16.957 ( -5.340 0.000 -0.134) 5.342 17.414 ( -21.728 0.000 -24.134) 32.474 17.658 ( -24.570 0.000 24.288) 34.549 20.030 ( -6.396 0.000 1.341) 6.535 20.111 ( -3.092 0.000 -1.708) 3.533 20.262 ( -1.266 0.000 1.302) 1.816 20.350 ( -4.957 0.000 2.223) 5.432 20.545 ( -2.883 0.000 0.993) 3.049 20.585 ( 1.151 0.000 1.560) 1.938 20.764 ( -6.960 0.000 -2.888) 7.535 20.867 ( -3.133 0.000 -5.342) 6.193 20.874 ( -0.081 0.000 -1.705) 1.707 20.993 ( -4.769 0.000 0.964) 4.866 21.217 ( 2.390 0.000 4.143) 4.783 21.352 ( 3.221 0.000 -4.077) 5.196 21.480 ( -2.146 0.000 6.350) 6.702 21.561 ( 5.500 0.000 3.656) 6.604 21.623 ( -1.708 0.000 1.320) 2.159 21.742 ( 2.324 0.000 0.820) 2.464 21.934 ( 2.037 0.000 -5.895) 6.237 21.972 ( -3.215 0.000 9.267) 9.809 22.032 ( 0.861 0.000 -0.536) 1.014 22.190 ( -4.666 0.000 -1.820) 5.009 22.254 ( 6.614 0.000 -0.606) 6.642 22.281 ( -0.355 0.000 -2.330) 2.357 22.651 ( -13.610 0.000 -6.053) 14.896 22.697 ( -8.137 0.000 -2.773) 8.597 23.372 ( 3.984 0.000 -6.848) 7.923 23.393 ( 2.261 0.000 0.569) 2.332 23.518 ( -4.986 0.000 -1.026) 5.090 23.795 ( 7.590 0.000 1.606) 7.758 24.317 ( 12.180 0.000 8.910) 15.091 24.512 ( 5.069 0.000 -3.650) 6.247 24.567 ( 2.308 0.000 0.993) 2.513 24.741 ( 1.990 0.000 5.303) 5.664 24.876 ( 7.934 0.000 -6.390) 10.187 24.990 ( -0.708 0.000 -0.317) 0.776 25.122 ( 7.471 0.000 7.310) 10.453 25.128 ( 0.259 0.000 -4.188) 4.196 25.259 ( -3.100 0.000 0.159) 3.104 25.612 ( 10.947 0.000 -5.709) 12.346 25.670 ( -2.193 0.000 -0.152) 2.198 25.754 ( -0.072 0.000 1.616) 1.618 26.149 ( 2.784 0.000 0.501) 2.829 26.212 ( 2.980 0.000 -0.630) 3.046 26.218 ( 0.538 0.000 -0.965) 1.105 26.421 ( 0.847 0.000 2.066) 2.233 26.436 ( -1.245 0.000 0.163) 1.255 26.460 ( 2.699 0.000 1.879) 3.289 26.691 ( 1.485 0.000 -1.404) 2.044 26.735 ( -2.824 0.000 1.834) 3.367 26.829 ( -0.706 0.000 -5.475) 5.520 27.022 ( 5.736 0.000 1.295) 5.881 27.107 ( -0.442 0.000 2.897) 2.931 27.221 ( 4.419 0.000 -0.307) 4.430 27.411 ( -6.489 0.000 2.647) 7.008 27.578 ( 3.877 0.000 -0.649) 3.931 28.098 ( 13.874 0.000 -7.894) 15.962 28.242 ( 8.848 0.000 -9.352) 12.874 28.912 ( -4.292 0.000 13.674) 14.332 29.151 ( -13.271 0.000 10.094) 16.674 29.464 ( 5.723 0.000 -7.777) 9.656 29.980 ( -5.183 0.000 0.875) 5.257 ======================= Grid point 59 (23/78) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -10.123 0.000 6.289) 11.917 1.288 ( 3.521 0.000 2.290) 4.200 1.624 ( -3.089 0.000 3.360) 4.564 2.127 ( -3.239 0.000 -5.214) 6.138 2.394 ( 4.970 0.000 -1.857) 5.305 2.520 ( 4.839 0.000 0.974) 4.936 2.654 ( 0.493 0.000 -2.316) 2.368 2.680 ( 8.937 0.000 -3.070) 9.449 2.796 ( 6.110 0.000 -8.645) 10.586 2.841 ( 0.742 0.000 -2.295) 2.412 3.042 ( 3.929 0.000 3.968) 5.584 3.191 ( -2.525 0.000 -2.579) 3.609 3.221 ( 5.966 0.000 3.347) 6.841 3.327 ( 5.234 0.000 2.665) 5.873 3.380 ( 0.047 0.000 1.636) 1.637 3.626 ( 0.598 0.000 3.699) 3.747 3.708 ( 0.387 0.000 2.889) 2.915 3.762 ( -5.393 0.000 -0.399) 5.408 3.887 ( 0.903 0.000 3.197) 3.322 3.912 ( -3.453 0.000 -0.537) 3.494 4.279 ( 3.002 0.000 -0.736) 3.091 4.353 ( -0.709 0.000 -12.527) 12.547 4.564 ( 12.000 0.000 5.608) 13.246 4.602 ( -1.673 0.000 -4.709) 4.997 4.717 ( 8.247 0.000 12.446) 14.930 4.973 ( 3.222 0.000 1.885) 3.733 5.298 ( 15.431 0.000 -10.447) 18.635 5.698 ( 7.962 0.000 8.510) 11.654 5.835 ( -5.094 0.000 -5.400) 7.424 6.070 ( -8.633 0.000 19.205) 21.056 6.360 ( -14.282 0.000 12.624) 19.062 6.362 ( -6.390 0.000 -5.958) 8.736 6.743 ( -9.264 0.000 16.674) 19.074 6.819 ( 4.093 0.000 -5.629) 6.960 7.117 ( 3.759 0.000 -7.959) 8.802 7.323 ( -3.446 0.000 8.522) 9.192 7.422 ( -13.271 0.000 11.257) 17.402 7.552 ( -0.541 0.000 -3.598) 3.638 7.865 ( -0.354 0.000 5.168) 5.180 8.179 ( 5.357 0.000 -8.036) 9.658 8.404 ( 21.562 0.000 -6.411) 22.494 8.430 ( 9.580 0.000 9.355) 13.390 8.766 ( -0.471 0.000 -11.125) 11.135 8.798 ( 28.149 0.000 -17.138) 32.956 9.106 ( 8.373 0.000 -19.925) 21.613 9.161 ( 13.107 0.000 2.266) 13.301 9.271 ( 5.085 0.000 18.571) 19.254 9.279 ( 8.242 0.000 -10.957) 13.711 9.682 ( 1.958 0.000 4.813) 5.196 9.787 ( -6.826 0.000 15.540) 16.973 9.790 ( -3.301 0.000 -0.701) 3.375 9.928 ( -0.924 0.000 -2.951) 3.092 10.004 ( -7.720 0.000 6.658) 10.194 10.078 ( -18.764 0.000 -3.400) 19.069 10.542 ( 8.456 0.000 -11.610) 14.363 10.686 ( -4.892 0.000 2.094) 5.321 10.990 ( 8.909 0.000 -0.859) 8.950 11.012 ( 1.650 0.000 3.568) 3.931 11.060 ( 3.005 0.000 2.874) 4.158 11.278 ( 2.784 0.000 -0.906) 2.928 11.475 ( 8.131 0.000 -15.369) 17.387 11.603 ( 3.730 0.000 -0.301) 3.742 11.764 ( -4.120 0.000 -1.553) 4.403 11.817 ( 0.499 0.000 -6.473) 6.492 11.858 ( -3.654 0.000 0.261) 3.663 11.912 ( 14.506 0.000 -2.879) 14.789 12.011 ( -4.753 0.000 -1.613) 5.019 12.051 ( 3.078 0.000 7.717) 8.308 12.225 ( -14.755 0.000 -2.466) 14.959 12.304 ( -8.374 0.000 11.581) 14.291 12.954 ( 3.540 0.000 -0.633) 3.596 13.110 ( -6.609 0.000 -2.010) 6.908 13.275 ( 5.481 0.000 0.666) 5.521 13.455 ( 16.667 0.000 -8.529) 18.723 13.461 ( 0.603 0.000 -0.102) 0.612 13.579 ( 13.476 0.000 -0.295) 13.479 13.855 ( 1.241 0.000 5.192) 5.338 13.878 ( 18.082 0.000 -0.134) 18.083 14.199 ( 1.050 0.000 -0.568) 1.194 14.222 ( -1.797 0.000 0.800) 1.967 14.327 ( 11.768 0.000 3.469) 12.269 14.562 ( -3.043 0.000 6.124) 6.838 15.014 ( -13.318 0.000 2.242) 13.506 15.067 ( 1.170 0.000 6.969) 7.066 15.316 ( -11.989 0.000 -2.120) 12.175 15.479 ( -2.476 0.000 -6.312) 6.780 15.617 ( -2.336 0.000 -5.759) 6.215 15.703 ( -12.229 0.000 -16.752) 20.741 16.156 ( -15.274 0.000 19.592) 24.843 16.205 ( -1.217 0.000 -2.027) 2.365 16.537 ( 3.863 0.000 -3.036) 4.914 16.739 ( -0.950 0.000 -0.704) 1.182 16.843 ( 0.193 0.000 -4.212) 4.217 16.859 ( -2.868 0.000 -2.456) 3.776 17.000 ( -6.078 0.000 -7.019) 9.284 17.425 ( -22.386 0.000 13.535) 26.160 19.946 ( -4.089 0.000 1.790) 4.463 20.069 ( -1.348 0.000 0.484) 1.432 20.277 ( -0.724 0.000 3.713) 3.783 20.281 ( -6.234 0.000 3.746) 7.273 20.538 ( 0.101 0.000 3.516) 3.517 20.599 ( 0.187 0.000 -1.918) 1.927 20.641 ( -5.493 0.000 -0.506) 5.516 20.808 ( 0.982 0.000 -2.572) 2.753 20.858 ( -0.528 0.000 1.090) 1.211 20.911 ( -3.999 0.000 2.574) 4.756 21.264 ( -0.075 0.000 1.316) 1.318 21.376 ( 2.882 0.000 -1.740) 3.366 21.503 ( -1.736 0.000 3.329) 3.754 21.621 ( -1.298 0.000 1.580) 2.044 21.655 ( 2.711 0.000 -0.500) 2.757 21.867 ( 8.906 0.000 2.453) 9.238 21.895 ( 0.301 0.000 -4.678) 4.687 21.978 ( -0.978 0.000 0.521) 1.108 22.046 ( -2.563 0.000 1.236) 2.845 22.113 ( -1.158 0.000 -4.557) 4.702 22.205 ( -2.736 0.000 -10.805) 11.146 22.363 ( 5.943 0.000 0.726) 5.987 22.427 ( -8.670 0.000 5.463) 10.247 22.543 ( -5.102 0.000 -4.611) 6.877 23.398 ( 2.998 0.000 -1.085) 3.188 23.413 ( 0.166 0.000 -0.831) 0.848 23.456 ( -1.187 0.000 1.903) 2.243 23.907 ( 4.005 0.000 0.515) 4.038 24.509 ( 0.285 0.000 -0.120) 0.310 24.540 ( 4.827 0.000 7.022) 8.521 24.636 ( 1.208 0.000 2.178) 2.490 24.814 ( 0.261 0.000 5.255) 5.262 24.975 ( 9.620 0.000 -4.860) 10.778 24.983 ( -0.413 0.000 0.801) 0.901 25.115 ( 1.262 0.000 -1.548) 1.997 25.183 ( -2.644 0.000 -3.731) 4.573 25.294 ( 2.530 0.000 7.071) 7.510 25.639 ( -1.251 0.000 0.007) 1.251 25.665 ( 3.409 0.000 -5.815) 6.741 25.820 ( 4.836 0.000 0.153) 4.838 26.188 ( 1.060 0.000 0.573) 1.205 26.238 ( 3.470 0.000 -2.370) 4.202 26.251 ( 2.100 0.000 -0.719) 2.219 26.398 ( -0.418 0.000 -3.438) 3.464 26.448 ( 1.328 0.000 -0.192) 1.342 26.497 ( 0.350 0.000 1.158) 1.210 26.681 ( -5.242 0.000 1.198) 5.377 26.690 ( -0.352 0.000 -7.018) 7.027 26.819 ( 1.945 0.000 4.853) 5.228 27.080 ( 1.127 0.000 -0.301) 1.167 27.122 ( -0.365 0.000 1.409) 1.456 27.234 ( -0.882 0.000 -5.455) 5.526 27.419 ( -1.025 0.000 13.106) 13.146 27.629 ( 1.978 0.000 2.184) 2.946 28.221 ( 8.908 0.000 -6.784) 11.197 28.309 ( 8.011 0.000 -6.523) 10.331 28.935 ( -5.841 0.000 8.794) 10.557 29.052 ( -8.817 0.000 8.055) 11.943 29.499 ( 6.496 0.000 -7.698) 10.072 29.885 ( -3.785 0.000 -4.315) 5.740 ======================= Grid point 60 (24/78) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -8.005 0.000 1.231) 8.099 1.349 ( -0.457 0.000 1.914) 1.968 1.685 ( 1.021 0.000 10.358) 10.409 2.108 ( 5.619 0.000 -1.018) 5.710 2.428 ( 0.121 0.000 -0.943) 0.951 2.574 ( 0.040 0.000 0.774) 0.775 2.685 ( 1.238 0.000 3.122) 3.358 2.740 ( -5.266 0.000 -3.215) 6.170 2.795 ( 4.471 0.000 -10.017) 10.969 2.815 ( 6.873 0.000 -3.178) 7.572 3.079 ( -3.741 0.000 2.913) 4.741 3.146 ( 0.391 0.000 -2.537) 2.567 3.340 ( 3.612 0.000 2.417) 4.346 3.343 ( -5.652 0.000 1.958) 5.982 3.406 ( 2.694 0.000 -0.125) 2.696 3.596 ( -9.665 0.000 -1.176) 9.736 3.700 ( 3.781 0.000 -0.209) 3.786 3.726 ( -1.374 0.000 2.134) 2.538 3.893 ( -3.668 0.000 3.425) 5.018 3.910 ( 0.199 0.000 3.943) 3.948 4.216 ( -1.567 0.000 -7.797) 7.953 4.346 ( 3.879 0.000 -0.594) 3.924 4.525 ( -0.264 0.000 -5.439) 5.445 4.690 ( 1.636 0.000 -4.849) 5.118 4.921 ( -3.012 0.000 17.777) 18.030 5.034 ( -0.121 0.000 4.209) 4.210 5.548 ( 17.043 0.000 1.945) 17.154 5.829 ( 1.793 0.000 2.036) 2.713 5.836 ( 5.345 0.000 4.252) 6.830 6.026 ( -14.708 0.000 11.174) 18.471 6.197 ( -14.856 0.000 7.733) 16.748 6.444 ( 13.771 0.000 12.310) 18.471 6.643 ( -17.765 0.000 7.678) 19.353 6.935 ( 9.091 0.000 0.993) 9.145 7.214 ( -9.148 0.000 1.687) 9.302 7.227 ( 11.770 0.000 6.866) 13.626 7.392 ( -6.478 0.000 13.469) 14.946 7.585 ( 6.204 0.000 2.810) 6.810 7.861 ( -3.844 0.000 1.843) 4.263 8.141 ( 0.921 0.000 -10.550) 10.591 8.463 ( -14.629 0.000 -14.838) 20.836 8.550 ( -3.378 0.000 -7.233) 7.983 8.594 ( 7.880 0.000 -5.401) 9.553 9.107 ( 24.423 0.000 -20.044) 31.595 9.137 ( 14.218 0.000 -10.015) 17.391 9.152 ( -11.152 0.000 -4.604) 12.065 9.319 ( 5.987 0.000 -1.913) 6.285 9.352 ( -14.284 0.000 1.264) 14.340 9.649 ( 4.195 0.000 -7.696) 8.765 9.696 ( -17.516 0.000 -0.626) 17.527 9.779 ( 0.125 0.000 7.344) 7.345 9.925 ( 1.125 0.000 13.489) 13.536 9.994 ( 8.477 0.000 5.965) 10.365 10.124 ( -0.982 0.000 18.465) 18.491 10.582 ( -7.625 0.000 -3.097) 8.230 10.653 ( 11.951 0.000 -6.099) 13.417 10.914 ( -5.040 0.000 -2.693) 5.714 11.020 ( -1.437 0.000 -3.713) 3.981 11.258 ( 5.260 0.000 8.893) 10.332 11.259 ( -1.616 0.000 -2.724) 3.168 11.465 ( 8.764 0.000 -14.546) 16.982 11.603 ( -0.225 0.000 -4.822) 4.827 11.713 ( -0.007 0.000 -9.251) 9.251 11.749 ( -7.174 0.000 -11.994) 13.975 11.758 ( -1.591 0.000 0.422) 1.646 11.907 ( -4.135 0.000 -3.934) 5.707 12.030 ( 3.142 0.000 5.126) 6.013 12.051 ( 1.104 0.000 -3.472) 3.643 12.213 ( 5.811 0.000 5.980) 8.338 12.249 ( -9.543 0.000 7.375) 12.060 12.956 ( -5.764 0.000 -1.015) 5.852 13.121 ( 7.415 0.000 9.901) 12.370 13.253 ( -2.592 0.000 -4.648) 5.321 13.544 ( 0.298 0.000 6.187) 6.195 13.593 ( 8.810 0.000 -9.594) 13.025 13.740 ( 3.880 0.000 0.217) 3.886 13.925 ( -4.219 0.000 6.272) 7.559 14.024 ( 2.648 0.000 -6.291) 6.825 14.138 ( -9.635 0.000 -1.358) 9.731 14.174 ( -3.840 0.000 -1.420) 4.094 14.537 ( 1.076 0.000 2.731) 2.936 14.561 ( 0.792 0.000 10.861) 10.890 14.909 ( 13.368 0.000 -4.061) 13.971 14.958 ( -12.146 0.000 -4.125) 12.827 15.153 ( -10.362 0.000 6.088) 12.018 15.443 ( 7.931 0.000 -5.416) 9.604 15.489 ( -1.219 0.000 -12.658) 12.717 15.820 ( 20.947 0.000 10.394) 23.384 16.057 ( -13.266 0.000 12.412) 18.167 16.062 ( -5.557 0.000 -9.664) 11.148 16.576 ( 6.899 0.000 -4.907) 8.466 16.740 ( 1.284 0.000 -0.552) 1.397 16.766 ( -0.853 0.000 -9.337) 9.376 16.822 ( -3.252 0.000 0.900) 3.374 17.076 ( 14.055 0.000 6.743) 15.589 17.201 ( -14.103 0.000 4.333) 14.753 19.942 ( 0.275 0.000 3.770) 3.780 20.061 ( -0.732 0.000 0.648) 0.978 20.248 ( -1.410 0.000 4.845) 5.046 20.293 ( -1.409 0.000 3.740) 3.997 20.562 ( -3.124 0.000 0.980) 3.274 20.568 ( -0.121 0.000 -3.201) 3.204 20.620 ( 3.584 0.000 4.633) 5.858 20.850 ( 3.509 0.000 2.910) 4.559 20.888 ( 1.179 0.000 0.336) 1.226 20.931 ( 1.286 0.000 8.069) 8.171 21.267 ( -0.252 0.000 1.242) 1.268 21.409 ( 1.831 0.000 -0.438) 1.883 21.434 ( -7.753 0.000 -1.801) 7.959 21.618 ( 0.670 0.000 -0.588) 0.891 21.638 ( -2.337 0.000 -4.925) 5.451 21.854 ( 4.399 0.000 -7.737) 8.900 21.907 ( -7.825 0.000 -5.582) 9.612 21.957 ( -6.822 0.000 2.536) 7.279 21.984 ( 0.093 0.000 -1.650) 1.653 22.062 ( 4.394 0.000 -7.075) 8.328 22.130 ( 5.037 0.000 -3.351) 6.050 22.409 ( -4.194 0.000 -1.083) 4.331 22.464 ( 3.813 0.000 8.092) 8.945 22.498 ( 6.533 0.000 -1.672) 6.744 23.383 ( -2.091 0.000 -1.846) 2.790 23.419 ( 1.287 0.000 0.666) 1.450 23.546 ( 3.238 0.000 8.453) 9.052 23.932 ( -0.721 0.000 -1.408) 1.582 24.536 ( 1.372 0.000 2.774) 3.094 24.608 ( -4.236 0.000 5.837) 7.212 24.658 ( -0.907 0.000 2.654) 2.804 24.837 ( -2.692 0.000 3.020) 4.046 24.991 ( -0.405 0.000 1.987) 2.028 25.088 ( 6.604 0.000 -1.403) 6.751 25.095 ( -2.141 0.000 -5.123) 5.552 25.133 ( 0.883 0.000 1.438) 1.687 25.333 ( -3.686 0.000 2.881) 4.678 25.640 ( 0.773 0.000 1.423) 1.619 25.657 ( 2.388 0.000 -5.418) 5.921 25.874 ( 2.057 0.000 -1.578) 2.592 26.198 ( -0.520 0.000 0.693) 0.866 26.264 ( 0.190 0.000 -0.588) 0.618 26.267 ( 1.980 0.000 -2.039) 2.842 26.334 ( -3.532 0.000 -4.043) 5.369 26.463 ( 0.070 0.000 -0.456) 0.461 26.552 ( 4.606 0.000 3.196) 5.606 26.583 ( -1.969 0.000 -9.474) 9.677 26.595 ( -3.469 0.000 -1.469) 3.767 26.913 ( 1.782 0.000 5.407) 5.693 27.082 ( -0.162 0.000 0.066) 0.175 27.114 ( -0.814 0.000 -1.272) 1.510 27.156 ( -0.788 0.000 -4.410) 4.480 27.537 ( -2.216 0.000 14.706) 14.872 27.700 ( 0.944 0.000 6.466) 6.535 28.266 ( 4.455 0.000 -7.651) 8.853 28.381 ( 6.532 0.000 -5.008) 8.231 28.898 ( -6.116 0.000 5.257) 8.065 28.993 ( -7.966 0.000 9.004) 12.022 29.517 ( 4.304 0.000 -8.126) 9.195 29.783 ( -0.284 0.000 -8.632) 8.636 ======================= Grid point 61 (25/78) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.536 0.000 5.222) 5.805 1.332 ( -1.404 0.000 0.703) 1.570 1.797 ( -0.101 0.000 8.418) 8.419 2.138 ( -4.028 0.000 -3.559) 5.375 2.476 ( 6.367 0.000 -0.792) 6.416 2.489 ( -10.046 0.000 -6.827) 12.147 2.571 ( -8.323 0.000 -1.123) 8.398 2.583 ( -10.279 0.000 -6.493) 12.158 2.839 ( 4.563 0.000 0.133) 4.565 2.875 ( 0.158 0.000 -1.329) 1.338 3.002 ( -6.011 0.000 1.908) 6.306 3.165 ( 1.994 0.000 0.598) 2.081 3.259 ( -3.776 0.000 1.294) 3.992 3.393 ( -0.338 0.000 3.398) 3.414 3.412 ( -1.137 0.000 -4.324) 4.471 3.455 ( -4.798 0.000 2.633) 5.473 3.685 ( -6.891 0.000 3.245) 7.617 3.767 ( 4.363 0.000 -0.693) 4.418 3.838 ( -4.882 0.000 -1.263) 5.042 3.913 ( -3.928 0.000 2.180) 4.493 4.216 ( 3.697 0.000 2.621) 4.532 4.348 ( -4.178 0.000 2.343) 4.790 4.505 ( 5.247 0.000 -9.048) 10.459 4.578 ( -6.543 0.000 -4.964) 8.213 4.983 ( -5.060 0.000 10.556) 11.706 5.001 ( -9.571 0.000 0.894) 9.612 5.777 ( -14.120 0.000 7.031) 15.774 5.784 ( 4.650 0.000 9.777) 10.827 5.836 ( -9.177 0.000 0.931) 9.224 6.048 ( -11.638 0.000 6.482) 13.321 6.151 ( 22.560 0.000 7.862) 23.891 6.320 ( -19.321 0.000 -4.445) 19.826 6.894 ( 18.224 0.000 3.303) 18.521 7.119 ( -7.226 0.000 2.969) 7.812 7.169 ( 14.102 0.000 21.376) 25.608 7.409 ( -6.603 0.000 12.754) 14.362 7.571 ( 15.512 0.000 7.857) 17.388 7.719 ( -11.330 0.000 -11.759) 16.330 7.810 ( 6.273 0.000 12.670) 14.138 8.033 ( -10.867 0.000 -12.035) 16.215 8.086 ( 6.739 0.000 -7.174) 9.843 8.259 ( -17.060 0.000 -12.888) 21.380 8.569 ( -7.415 0.000 -0.934) 7.474 8.714 ( -27.939 0.000 -12.220) 30.495 9.082 ( -14.464 0.000 0.269) 14.466 9.116 ( -4.222 0.000 -8.222) 9.243 9.249 ( 16.434 0.000 -21.547) 27.099 9.407 ( -17.434 0.000 12.476) 21.439 9.646 ( 25.001 0.000 3.677) 25.270 9.759 ( 11.622 0.000 -4.795) 12.573 9.845 ( -2.516 0.000 7.572) 7.979 10.066 ( 3.621 0.000 -1.210) 3.818 10.156 ( 5.972 0.000 -0.703) 6.013 10.316 ( -2.936 0.000 23.270) 23.454 10.410 ( -3.945 0.000 -3.841) 5.506 10.713 ( 0.465 0.000 -3.372) 3.404 10.820 ( -4.668 0.000 0.816) 4.739 10.989 ( 1.530 0.000 4.105) 4.381 11.194 ( -2.572 0.000 -4.191) 4.917 11.307 ( -17.325 0.000 -13.176) 21.766 11.399 ( 2.317 0.000 -5.650) 6.107 11.485 ( 7.516 0.000 -12.303) 14.417 11.530 ( -1.596 0.000 -3.386) 3.743 11.602 ( -1.167 0.000 -3.913) 4.084 11.822 ( 7.498 0.000 -5.079) 9.056 11.918 ( -9.150 0.000 3.613) 9.838 12.017 ( 5.390 0.000 0.794) 5.448 12.094 ( -13.532 0.000 5.616) 14.651 12.173 ( 5.946 0.000 1.958) 6.260 12.349 ( 5.846 0.000 2.324) 6.291 12.951 ( 3.265 0.000 2.210) 3.942 13.132 ( -9.396 0.000 -1.122) 9.463 13.241 ( 0.352 0.000 -2.913) 2.934 13.517 ( -9.078 0.000 -11.733) 14.835 13.552 ( -4.129 0.000 6.152) 7.409 13.661 ( -17.113 0.000 0.229) 17.114 13.759 ( -4.901 0.000 3.479) 6.010 13.889 ( -8.327 0.000 2.867) 8.807 14.085 ( -2.686 0.000 1.920) 3.302 14.208 ( 6.593 0.000 1.644) 6.795 14.399 ( -7.799 0.000 -1.145) 7.883 14.685 ( -0.695 0.000 16.876) 16.890 14.958 ( -8.825 0.000 -12.006) 14.900 15.024 ( 11.905 0.000 0.848) 11.935 15.217 ( 20.099 0.000 -9.072) 22.051 15.512 ( 11.233 0.000 5.286) 12.415 15.568 ( 7.553 0.000 -2.385) 7.921 15.849 ( 2.362 0.000 -13.744) 13.946 15.973 ( -9.401 0.000 10.396) 14.016 16.333 ( 17.514 0.000 10.021) 20.178 16.613 ( 1.884 0.000 -20.186) 20.273 16.670 ( 6.635 0.000 2.788) 7.197 16.795 ( 1.907 0.000 2.655) 3.269 16.802 ( 3.200 0.000 -2.274) 3.926 17.013 ( -9.204 0.000 -2.812) 9.624 17.534 ( 28.181 0.000 11.321) 30.371 20.005 ( 1.805 0.000 3.557) 3.988 20.059 ( 0.999 0.000 -0.634) 1.183 20.326 ( 0.962 0.000 5.250) 5.337 20.326 ( 4.054 0.000 5.019) 6.452 20.542 ( -0.167 0.000 -1.718) 1.726 20.544 ( -0.370 0.000 1.926) 1.962 20.745 ( 5.748 0.000 3.404) 6.680 20.891 ( -0.078 0.000 -2.025) 2.027 20.977 ( 5.031 0.000 8.212) 9.630 21.066 ( 4.083 0.000 4.985) 6.444 21.223 ( -11.669 0.000 -0.797) 11.696 21.309 ( 2.202 0.000 1.724) 2.796 21.398 ( -1.572 0.000 -4.238) 4.520 21.541 ( -1.512 0.000 -2.239) 2.702 21.624 ( 2.320 0.000 -5.088) 5.592 21.696 ( -7.990 0.000 -3.277) 8.636 21.850 ( -1.621 0.000 -0.051) 1.622 21.941 ( 5.958 0.000 -2.475) 6.452 22.002 ( 2.692 0.000 -0.906) 2.841 22.047 ( 2.220 0.000 -5.178) 5.633 22.191 ( 2.248 0.000 0.234) 2.260 22.303 ( -4.574 0.000 -3.750) 5.915 22.605 ( 6.063 0.000 -0.265) 6.069 22.660 ( 11.669 0.000 1.375) 11.750 23.316 ( -3.767 0.000 -0.762) 3.843 23.461 ( 2.895 0.000 -0.154) 2.899 23.668 ( -0.153 0.000 9.420) 9.421 23.852 ( -5.690 0.000 -4.182) 7.061 24.506 ( -13.924 0.000 4.975) 14.786 24.589 ( 0.101 0.000 2.994) 2.996 24.669 ( -1.015 0.000 4.445) 4.559 24.779 ( -4.493 0.000 -1.408) 4.708 24.988 ( -3.626 0.000 1.601) 3.964 25.020 ( -0.111 0.000 -5.059) 5.060 25.125 ( -2.176 0.000 2.316) 3.178 25.202 ( 3.928 0.000 2.329) 4.567 25.266 ( -5.074 0.000 1.557) 5.307 25.646 ( 2.252 0.000 -5.242) 5.706 25.681 ( 1.350 0.000 2.475) 2.819 25.859 ( -1.921 0.000 -1.415) 2.386 26.181 ( -2.320 0.000 0.654) 2.410 26.206 ( -5.461 0.000 -4.426) 7.030 26.247 ( -1.289 0.000 -2.588) 2.891 26.272 ( 0.099 0.000 0.270) 0.287 26.398 ( -6.356 0.000 -0.358) 6.366 26.447 ( -2.871 0.000 -7.418) 7.954 26.586 ( 4.257 0.000 -3.358) 5.422 26.717 ( 8.409 0.000 5.730) 10.176 26.958 ( 1.112 0.000 0.190) 1.128 27.059 ( -3.236 0.000 -3.097) 4.479 27.088 ( 0.083 0.000 1.156) 1.159 27.169 ( 3.617 0.000 1.187) 3.807 27.611 ( -5.630 0.000 13.833) 14.935 27.749 ( -3.449 0.000 6.646) 7.488 28.225 ( 1.506 0.000 -11.080) 11.182 28.414 ( 4.122 0.000 -7.929) 8.936 28.816 ( -8.850 0.000 3.589) 9.550 28.988 ( -5.637 0.000 15.782) 16.759 29.500 ( 3.087 0.000 -6.892) 7.551 29.722 ( 4.257 0.000 -10.815) 11.623 ======================= Grid point 62 (26/78) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 9.707 0.000 8.905) 13.172 1.334 ( -1.022 0.000 3.063) 3.229 1.803 ( -6.821 0.000 3.621) 7.722 1.942 ( -14.360 0.000 -5.811) 15.491 2.136 ( -18.027 0.000 -11.321) 21.287 2.221 ( -12.622 0.000 -10.196) 16.225 2.405 ( -10.949 0.000 -1.924) 11.117 2.598 ( 1.975 0.000 -0.894) 2.168 2.803 ( -6.713 0.000 0.115) 6.714 2.824 ( -4.717 0.000 -3.433) 5.834 2.999 ( -0.040 0.000 6.994) 6.994 3.113 ( -8.064 0.000 0.635) 8.089 3.306 ( 1.881 0.000 4.233) 4.632 3.343 ( -3.440 0.000 1.747) 3.858 3.350 ( -16.069 0.000 2.765) 16.305 3.438 ( 1.638 0.000 -4.158) 4.469 3.557 ( -8.681 0.000 2.310) 8.983 3.705 ( -3.610 0.000 -2.541) 4.415 3.806 ( -3.220 0.000 0.405) 3.246 3.868 ( 0.104 0.000 2.177) 2.179 4.285 ( -3.307 0.000 -2.105) 3.920 4.295 ( -1.780 0.000 3.543) 3.965 4.449 ( -1.551 0.000 -2.930) 3.315 4.503 ( 1.857 0.000 -5.040) 5.371 4.689 ( -19.176 0.000 -7.536) 20.604 4.984 ( -3.325 0.000 6.201) 7.036 5.543 ( -16.156 0.000 -0.952) 16.184 5.730 ( -21.197 0.000 20.844) 29.728 5.924 ( -6.365 0.000 -2.897) 6.993 5.948 ( 3.678 0.000 9.011) 9.733 6.007 ( -3.099 0.000 -8.582) 9.125 6.628 ( 22.226 0.000 8.125) 23.665 6.908 ( -16.666 0.000 -4.747) 17.329 7.071 ( 8.034 0.000 -3.789) 8.882 7.376 ( -15.764 0.000 6.623) 17.099 7.435 ( 2.560 0.000 -8.703) 9.071 7.701 ( 6.957 0.000 18.128) 19.417 7.791 ( 3.494 0.000 -6.666) 7.526 7.844 ( -11.014 0.000 -11.917) 16.227 7.864 ( -19.357 0.000 5.546) 20.136 7.958 ( 10.796 0.000 11.705) 15.923 8.076 ( -9.804 0.000 4.056) 10.610 8.170 ( -17.062 0.000 -6.324) 18.197 8.402 ( -16.116 0.000 1.525) 16.188 8.837 ( -12.978 0.000 -1.290) 13.042 9.002 ( 3.948 0.000 3.600) 5.343 9.291 ( 14.313 0.000 -21.412) 25.755 9.389 ( -5.806 0.000 18.995) 19.863 9.815 ( -5.659 0.000 1.875) 5.962 9.871 ( 6.140 0.000 -6.242) 8.756 9.958 ( -1.621 0.000 -16.980) 17.057 10.127 ( 23.463 0.000 4.325) 23.858 10.224 ( 5.502 0.000 -3.341) 6.437 10.319 ( -12.066 0.000 8.040) 14.499 10.448 ( 5.858 0.000 0.625) 5.891 10.761 ( 3.011 0.000 6.854) 7.486 10.776 ( -1.906 0.000 1.120) 2.210 10.886 ( -12.301 0.000 -12.533) 17.562 11.081 ( -5.058 0.000 -4.450) 6.736 11.133 ( 2.878 0.000 11.501) 11.856 11.297 ( -8.596 0.000 -2.528) 8.960 11.502 ( -4.948 0.000 0.109) 4.949 11.547 ( 4.619 0.000 -4.547) 6.482 11.556 ( 3.733 0.000 -0.090) 3.734 11.764 ( -7.977 0.000 2.842) 8.468 11.851 ( -6.731 0.000 -1.943) 7.006 11.939 ( 8.697 0.000 -10.102) 13.330 12.170 ( 4.662 0.000 7.928) 9.197 12.290 ( 4.930 0.000 0.447) 4.950 12.461 ( 6.524 0.000 -2.107) 6.856 12.925 ( -12.792 0.000 0.323) 12.796 13.014 ( -1.382 0.000 4.032) 4.263 13.172 ( -3.005 0.000 -5.270) 6.067 13.175 ( -15.000 0.000 -2.306) 15.176 13.474 ( -4.922 0.000 3.832) 6.237 13.507 ( -4.394 0.000 -9.426) 10.400 13.624 ( -10.717 0.000 5.223) 11.922 13.944 ( 2.876 0.000 7.237) 7.788 14.028 ( -6.360 0.000 4.957) 8.064 14.308 ( -3.986 0.000 -2.292) 4.598 14.405 ( 10.276 0.000 7.071) 12.474 14.692 ( -2.244 0.000 -9.234) 9.502 14.869 ( 6.347 0.000 2.575) 6.850 15.187 ( 6.338 0.000 -2.447) 6.794 15.404 ( 8.949 0.000 -0.474) 8.962 15.573 ( 3.615 0.000 -7.075) 7.945 15.732 ( 3.448 0.000 0.256) 3.457 15.896 ( 6.501 0.000 -1.108) 6.595 15.961 ( -4.906 0.000 11.902) 12.873 16.506 ( 12.830 0.000 -21.086) 24.682 16.533 ( 2.847 0.000 2.593) 3.851 16.760 ( -7.970 0.000 -4.856) 9.333 16.828 ( 6.752 0.000 -1.712) 6.966 16.920 ( 2.083 0.000 1.595) 2.624 17.021 ( 21.459 0.000 5.658) 22.192 18.173 ( 32.801 0.000 9.224) 34.073 20.042 ( -0.156 0.000 1.099) 1.110 20.098 ( 5.231 0.000 -1.679) 5.494 20.405 ( -0.061 0.000 5.177) 5.177 20.445 ( 2.983 0.000 5.406) 6.175 20.534 ( -0.405 0.000 1.260) 1.324 20.592 ( 4.662 0.000 0.532) 4.692 20.841 ( -1.511 0.000 -4.637) 4.877 20.847 ( 4.289 0.000 -1.396) 4.510 20.945 ( -7.116 0.000 -8.536) 11.113 21.164 ( -7.045 0.000 5.877) 9.175 21.166 ( 4.581 0.000 11.738) 12.600 21.336 ( 1.859 0.000 -3.544) 4.002 21.398 ( 3.806 0.000 6.144) 7.227 21.548 ( 1.928 0.000 0.845) 2.105 21.631 ( 8.772 0.000 -2.601) 9.149 21.667 ( 1.369 0.000 0.542) 1.472 21.841 ( -1.808 0.000 4.403) 4.759 21.973 ( 4.107 0.000 -10.607) 11.374 22.012 ( -1.245 0.000 -2.881) 3.139 22.095 ( 3.353 0.000 2.716) 4.315 22.232 ( 4.263 0.000 0.032) 4.263 22.239 ( 2.215 0.000 -0.642) 2.307 22.692 ( 5.063 0.000 -0.882) 5.139 22.810 ( 9.066 0.000 -9.928) 13.445 23.270 ( -2.959 0.000 4.259) 5.186 23.498 ( 2.848 0.000 -3.082) 4.197 23.664 ( -9.125 0.000 -7.331) 11.705 23.690 ( -6.752 0.000 6.158) 9.138 24.244 ( -21.369 0.000 4.279) 21.793 24.561 ( -5.070 0.000 1.056) 5.179 24.680 ( -3.534 0.000 -4.070) 5.390 24.716 ( -0.455 0.000 5.443) 5.462 24.886 ( -8.717 0.000 3.038) 9.231 24.999 ( 2.841 0.000 -6.811) 7.380 25.090 ( -4.912 0.000 4.031) 6.354 25.218 ( -3.701 0.000 3.210) 4.899 25.264 ( 0.590 0.000 0.412) 0.719 25.627 ( 0.545 0.000 -3.768) 3.808 25.727 ( 1.553 0.000 2.152) 2.654 25.802 ( -2.947 0.000 -0.150) 2.951 26.075 ( -3.569 0.000 -4.988) 6.134 26.137 ( -3.355 0.000 0.544) 3.399 26.193 ( -0.828 0.000 -3.224) 3.329 26.256 ( -5.451 0.000 1.679) 5.703 26.315 ( -0.322 0.000 0.253) 0.409 26.387 ( 1.619 0.000 -2.289) 2.803 26.632 ( 3.834 0.000 -2.001) 4.324 26.899 ( 3.705 0.000 6.777) 7.723 26.936 ( -7.588 0.000 -2.818) 8.095 26.998 ( 6.909 0.000 -4.205) 8.088 27.108 ( 0.239 0.000 1.733) 1.749 27.238 ( 0.148 0.000 3.349) 3.352 27.608 ( -7.719 0.000 9.414) 12.174 27.711 ( -7.301 0.000 6.313) 9.652 28.111 ( -0.105 0.000 -14.521) 14.521 28.352 ( 2.646 0.000 -17.445) 17.644 28.689 ( -12.003 0.000 8.573) 14.750 29.110 ( -2.573 0.000 23.893) 24.032 29.514 ( 5.418 0.000 -4.490) 7.036 29.721 ( 7.650 0.000 -10.307) 12.836 ======================= Grid point 63 (27/78) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -17.460 0.000 -1.765) 17.549 1.248 ( -23.108 0.000 7.865) 24.410 1.594 ( -8.936 0.000 -5.570) 10.530 1.633 ( -12.372 0.000 6.949) 14.190 1.877 ( -0.284 0.000 -2.228) 2.246 2.077 ( 1.293 0.000 -3.495) 3.727 2.160 ( -15.056 0.000 -2.120) 15.205 2.546 ( -46.389 0.000 4.546) 46.611 2.563 ( -2.422 0.000 -3.075) 3.914 2.665 ( -8.961 0.000 -4.206) 9.899 2.758 ( -11.795 0.000 -4.968) 12.798 3.031 ( -5.504 0.000 6.756) 8.714 3.073 ( -8.418 0.000 2.751) 8.856 3.345 ( 1.414 0.000 1.350) 1.955 3.391 ( 2.366 0.000 -2.606) 3.520 3.414 ( 2.018 0.000 -7.315) 7.588 3.436 ( -10.550 0.000 11.223) 15.403 3.717 ( -5.623 0.000 1.595) 5.845 3.757 ( 5.281 0.000 1.637) 5.529 3.923 ( 2.590 0.000 0.927) 2.751 4.083 ( -16.565 0.000 -6.467) 17.782 4.180 ( -10.645 0.000 0.407) 10.653 4.406 ( -1.282 0.000 -3.070) 3.326 4.483 ( 3.687 0.000 0.567) 3.731 4.523 ( 1.497 0.000 -3.099) 3.442 5.005 ( 0.559 0.000 2.445) 2.508 5.209 ( -13.442 0.000 -16.714) 21.449 5.552 ( -18.027 0.000 20.781) 27.510 5.714 ( -11.833 0.000 3.228) 12.265 6.049 ( 1.191 0.000 1.238) 1.717 6.097 ( 6.178 0.000 4.108) 7.419 6.611 ( -13.305 0.000 0.448) 13.313 6.985 ( 10.478 0.000 3.132) 10.936 7.033 ( -16.625 0.000 -0.206) 16.626 7.060 ( -30.398 0.000 8.205) 31.486 7.371 ( 0.723 0.000 -12.685) 12.706 7.471 ( -17.779 0.000 -7.204) 19.183 7.584 ( -13.927 0.000 7.862) 15.993 7.628 ( -7.688 0.000 -10.420) 12.949 7.686 ( 2.036 0.000 -2.580) 3.287 8.064 ( -5.770 0.000 10.469) 11.954 8.102 ( -0.058 0.000 12.792) 12.792 8.222 ( 6.153 0.000 -8.974) 10.881 8.406 ( 16.021 0.000 12.929) 20.587 8.672 ( -3.743 0.000 -0.552) 3.783 9.096 ( 0.219 0.000 -7.640) 7.643 9.331 ( 12.973 0.000 -18.426) 22.534 9.470 ( -7.165 0.000 13.145) 14.971 9.740 ( -4.830 0.000 -16.629) 17.316 9.814 ( 2.095 0.000 10.484) 10.691 9.864 ( 2.232 0.000 -7.409) 7.738 10.123 ( -17.420 0.000 7.515) 18.972 10.329 ( 5.694 0.000 2.285) 6.136 10.347 ( 5.350 0.000 -0.903) 5.425 10.548 ( 0.746 0.000 -14.628) 14.647 10.741 ( 9.449 0.000 -1.269) 9.534 10.821 ( 4.986 0.000 3.743) 6.234 10.874 ( 4.163 0.000 -3.231) 5.270 10.923 ( -8.482 0.000 0.042) 8.483 11.149 ( -8.393 0.000 4.090) 9.336 11.192 ( -4.283 0.000 3.197) 5.344 11.387 ( -3.109 0.000 6.283) 7.010 11.633 ( 3.326 0.000 7.706) 8.393 11.667 ( 2.138 0.000 -7.451) 7.751 11.762 ( 1.294 0.000 6.339) 6.469 11.780 ( 4.481 0.000 8.020) 9.188 12.053 ( 12.626 0.000 -9.444) 15.767 12.243 ( -7.335 0.000 7.277) 10.332 12.324 ( 1.139 0.000 -5.570) 5.685 12.490 ( 4.582 0.000 -11.641) 12.510 12.750 ( -8.520 0.000 4.077) 9.445 12.979 ( -7.073 0.000 2.749) 7.589 13.067 ( -4.056 0.000 9.613) 10.433 13.082 ( -1.588 0.000 -3.671) 4.000 13.270 ( -5.671 0.000 -3.758) 6.803 13.524 ( 2.078 0.000 7.190) 7.484 13.586 ( 1.208 0.000 -5.121) 5.262 13.844 ( -12.760 0.000 0.131) 12.761 14.102 ( 3.595 0.000 1.779) 4.011 14.207 ( -3.589 0.000 -2.822) 4.566 14.497 ( -1.776 0.000 -5.136) 5.434 14.734 ( 9.976 0.000 -1.662) 10.113 15.100 ( 15.456 0.000 10.674) 18.784 15.185 ( -0.105 0.000 -5.422) 5.423 15.480 ( 0.545 0.000 -4.291) 4.326 15.645 ( 8.809 0.000 -2.323) 9.110 15.704 ( -1.039 0.000 0.055) 1.041 15.939 ( -4.254 0.000 2.270) 4.822 15.952 ( 0.259 0.000 0.945) 0.980 16.502 ( -11.390 0.000 -4.058) 12.091 16.598 ( 1.968 0.000 3.096) 3.668 16.724 ( 17.975 0.000 -3.578) 18.328 16.914 ( 6.141 0.000 -2.417) 6.600 16.999 ( 3.290 0.000 3.223) 4.605 17.434 ( 20.777 0.000 0.565) 20.785 18.743 ( 25.931 0.000 2.248) 26.029 20.033 ( -0.985 0.000 -0.033) 0.986 20.203 ( 8.743 0.000 -1.923) 8.952 20.357 ( -9.699 0.000 2.917) 10.128 20.520 ( 1.004 0.000 3.659) 3.795 20.527 ( -1.023 0.000 0.642) 1.208 20.691 ( 5.754 0.000 -0.262) 5.760 20.745 ( -5.442 0.000 -3.009) 6.218 20.872 ( 2.545 0.000 -3.650) 4.450 20.881 ( 5.021 0.000 -1.404) 5.213 21.072 ( -6.563 0.000 2.920) 7.183 21.249 ( -2.723 0.000 3.815) 4.687 21.479 ( 12.884 0.000 0.974) 12.921 21.531 ( 3.702 0.000 6.121) 7.153 21.622 ( 6.102 0.000 1.364) 6.252 21.693 ( 1.571 0.000 0.308) 1.601 21.775 ( 3.663 0.000 -2.111) 4.228 21.863 ( -2.175 0.000 6.065) 6.443 21.911 ( -0.179 0.000 -8.612) 8.614 21.969 ( 5.028 0.000 -2.297) 5.528 22.110 ( -0.999 0.000 -3.384) 3.528 22.361 ( 8.977 0.000 2.298) 9.267 22.372 ( 9.508 0.000 1.389) 9.609 22.777 ( 5.750 0.000 1.036) 5.843 22.787 ( 3.128 0.000 -12.101) 12.499 23.219 ( -9.101 0.000 -1.396) 9.208 23.491 ( 1.702 0.000 -6.487) 6.707 23.500 ( -0.611 0.000 -2.172) 2.256 23.552 ( -13.962 0.000 2.452) 14.175 23.898 ( -23.712 0.000 5.091) 24.253 24.454 ( -8.019 0.000 0.284) 8.024 24.593 ( -2.074 0.000 -3.619) 4.172 24.729 ( -2.971 0.000 3.368) 4.491 24.798 ( -7.240 0.000 8.465) 11.139 24.963 ( 2.494 0.000 -11.601) 11.866 25.055 ( -3.429 0.000 3.762) 5.090 25.178 ( -4.942 0.000 3.038) 5.801 25.208 ( -4.631 0.000 -3.245) 5.655 25.603 ( -0.398 0.000 -1.541) 1.591 25.774 ( 0.659 0.000 -1.816) 1.932 25.782 ( 3.127 0.000 1.496) 3.466 26.017 ( 0.244 0.000 -0.774) 0.811 26.083 ( -3.221 0.000 0.260) 3.232 26.171 ( 1.063 0.000 -2.354) 2.583 26.182 ( -4.200 0.000 3.026) 5.177 26.335 ( -0.793 0.000 2.766) 2.878 26.455 ( 7.291 0.000 0.633) 7.318 26.661 ( -0.925 0.000 -1.587) 1.837 26.788 ( -4.667 0.000 0.473) 4.691 26.937 ( -2.932 0.000 1.215) 3.174 27.078 ( 5.048 0.000 -5.268) 7.297 27.112 ( -2.446 0.000 1.872) 3.081 27.211 ( -6.425 0.000 3.602) 7.366 27.513 ( -11.377 0.000 5.351) 12.573 27.703 ( 0.011 0.000 6.154) 6.154 27.954 ( -0.368 0.000 -18.357) 18.361 28.155 ( 0.380 0.000 -28.673) 28.676 28.599 ( -11.505 0.000 14.637) 18.618 29.380 ( 1.899 0.000 36.013) 36.063 29.588 ( 7.179 0.000 -3.907) 8.173 29.779 ( 9.080 0.000 -7.599) 11.841 ======================= Grid point 64 (28/78) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -34.600 0.000 18.636) 39.299 0.807 ( -29.951 0.000 19.445) 35.710 1.465 ( -42.791 0.000 37.229) 56.720 1.560 ( 1.240 0.000 1.518) 1.960 1.772 ( -22.073 0.000 4.425) 22.512 1.850 ( -13.774 0.000 2.122) 13.937 1.948 ( -4.910 0.000 2.003) 5.303 2.126 ( 3.820 0.000 2.367) 4.494 2.467 ( -5.438 0.000 -5.365) 7.639 2.501 ( -2.088 0.000 -4.218) 4.707 2.664 ( -2.092 0.000 1.642) 2.659 2.948 ( -8.915 0.000 3.126) 9.447 2.979 ( -4.658 0.000 -3.192) 5.647 3.242 ( -9.076 0.000 1.019) 9.133 3.335 ( -0.127 0.000 -6.132) 6.133 3.409 ( 3.323 0.000 -4.285) 5.422 3.554 ( 2.643 0.000 13.929) 14.178 3.687 ( -0.829 0.000 4.643) 4.716 3.783 ( -8.603 0.000 -1.866) 8.803 3.814 ( -1.396 0.000 -3.858) 4.103 3.953 ( 0.698 0.000 -2.850) 2.935 4.016 ( -8.532 0.000 3.846) 9.359 4.321 ( -2.775 0.000 -12.847) 13.143 4.541 ( 2.035 0.000 0.644) 2.134 4.580 ( 1.723 0.000 7.335) 7.535 4.821 ( -10.589 0.000 -13.606) 17.241 5.018 ( 0.662 0.000 -3.689) 3.748 5.551 ( -3.344 0.000 10.333) 10.861 5.731 ( 1.829 0.000 26.452) 26.515 5.972 ( -5.112 0.000 -10.812) 11.959 6.176 ( -1.584 0.000 1.687) 2.314 6.465 ( -8.676 0.000 4.490) 9.769 6.611 ( -19.430 0.000 -10.462) 22.067 6.682 ( -20.541 0.000 12.573) 24.083 6.862 ( -18.248 0.000 -1.653) 18.323 7.275 ( 2.461 0.000 -1.863) 3.087 7.304 ( 2.200 0.000 -4.391) 4.911 7.534 ( -3.630 0.000 9.586) 10.251 7.638 ( 11.940 0.000 -9.777) 15.432 7.744 ( 0.232 0.000 8.171) 8.174 8.084 ( -4.743 0.000 11.766) 12.686 8.226 ( -2.283 0.000 -1.297) 2.626 8.244 ( 11.144 0.000 -10.428) 15.262 8.705 ( 11.449 0.000 -2.561) 11.732 8.736 ( 9.077 0.000 3.619) 9.772 8.928 ( -1.656 0.000 -10.890) 11.015 9.331 ( -0.768 0.000 -4.038) 4.111 9.443 ( -0.742 0.000 -4.920) 4.976 9.481 ( -8.160 0.000 -5.508) 9.845 9.707 ( -16.023 0.000 -3.111) 16.322 9.952 ( 2.985 0.000 -3.567) 4.652 9.991 ( -1.688 0.000 2.951) 3.399 10.363 ( 2.744 0.000 -19.059) 19.256 10.484 ( 6.405 0.000 3.710) 7.401 10.501 ( 7.605 0.000 6.225) 9.828 10.738 ( -7.065 0.000 -2.007) 7.344 10.739 ( -3.992 0.000 -4.084) 5.711 10.899 ( -0.874 0.000 3.053) 3.175 10.998 ( 0.453 0.000 11.423) 11.432 11.146 ( 10.523 0.000 -7.409) 12.869 11.265 ( 6.973 0.000 2.633) 7.453 11.400 ( -2.873 0.000 -6.049) 6.697 11.618 ( 5.616 0.000 9.344) 10.902 11.852 ( 1.866 0.000 6.127) 6.405 11.878 ( 5.705 0.000 19.552) 20.368 11.979 ( 4.981 0.000 3.636) 6.167 12.041 ( -19.176 0.000 5.080) 19.837 12.099 ( -0.574 0.000 -3.760) 3.804 12.296 ( 8.246 0.000 -6.599) 10.562 12.466 ( 4.245 0.000 -5.474) 6.927 12.684 ( -9.692 0.000 -0.055) 9.693 12.837 ( -8.535 0.000 -3.083) 9.074 12.987 ( -3.324 0.000 -9.914) 10.457 13.043 ( -3.568 0.000 6.152) 7.112 13.350 ( 5.957 0.000 -9.873) 11.531 13.519 ( -9.075 0.000 1.314) 9.170 13.563 ( 2.890 0.000 4.592) 5.426 13.745 ( 0.711 0.000 9.187) 9.215 14.096 ( -0.460 0.000 -5.136) 5.156 14.155 ( -1.603 0.000 -3.519) 3.867 14.358 ( -5.188 0.000 -7.109) 8.801 14.849 ( 9.444 0.000 -11.241) 14.682 15.169 ( 3.627 0.000 3.340) 4.930 15.417 ( 3.250 0.000 -6.536) 7.300 15.509 ( 10.613 0.000 17.241) 20.246 15.734 ( -0.711 0.000 7.046) 7.081 15.769 ( 5.631 0.000 0.830) 5.692 15.926 ( -0.597 0.000 5.032) 5.067 15.941 ( -1.136 0.000 -0.958) 1.486 16.247 ( -11.275 0.000 -4.781) 12.247 16.608 ( -2.376 0.000 -7.247) 7.626 16.984 ( 7.568 0.000 3.731) 8.438 16.995 ( 4.221 0.000 0.619) 4.266 17.115 ( 5.286 0.000 11.137) 12.328 17.677 ( 11.427 0.000 -8.680) 14.350 19.050 ( 11.510 0.000 -5.722) 12.854 20.025 ( 0.154 0.000 0.864) 0.877 20.216 ( -9.241 0.000 4.679) 10.358 20.330 ( 7.335 0.000 -1.609) 7.509 20.536 ( 0.961 0.000 1.258) 1.583 20.567 ( 2.712 0.000 0.561) 2.769 20.641 ( -5.240 0.000 0.903) 5.318 20.758 ( 1.692 0.000 -0.427) 1.745 20.880 ( 3.125 0.000 -4.231) 5.259 20.961 ( 2.086 0.000 1.093) 2.355 21.023 ( -1.353 0.000 2.061) 2.465 21.197 ( -4.094 0.000 -2.008) 4.560 21.600 ( 4.585 0.000 -14.941) 15.628 21.617 ( 1.732 0.000 1.323) 2.180 21.721 ( -0.207 0.000 0.001) 0.207 21.737 ( -1.324 0.000 1.720) 2.170 21.779 ( 4.877 0.000 -5.067) 7.033 21.816 ( 1.306 0.000 2.301) 2.646 21.877 ( -2.605 0.000 4.362) 5.080 22.026 ( -1.151 0.000 -5.150) 5.277 22.105 ( 8.802 0.000 -2.630) 9.187 22.509 ( 5.974 0.000 -3.292) 6.821 22.517 ( 6.801 0.000 -0.540) 6.822 22.782 ( 3.140 0.000 4.483) 5.473 22.932 ( 7.964 0.000 6.032) 9.991 23.066 ( -0.926 0.000 1.883) 2.098 23.295 ( -16.133 0.000 0.438) 16.139 23.436 ( -14.611 0.000 -2.228) 14.780 23.454 ( 2.929 0.000 -7.116) 7.696 23.635 ( -8.887 0.000 7.970) 11.938 24.308 ( -7.952 0.000 -1.664) 8.124 24.553 ( -0.082 0.000 -0.264) 0.276 24.700 ( -2.775 0.000 1.653) 3.230 24.782 ( -7.370 0.000 -9.817) 12.276 24.877 ( 3.820 0.000 10.101) 10.799 25.044 ( -1.255 0.000 1.711) 2.122 25.090 ( -4.315 0.000 -3.501) 5.557 25.117 ( -4.642 0.000 2.380) 5.217 25.561 ( -0.587 0.000 -5.895) 5.924 25.787 ( 2.192 0.000 -0.764) 2.321 25.858 ( 4.212 0.000 -0.378) 4.229 26.046 ( -1.576 0.000 0.950) 1.840 26.057 ( 1.749 0.000 4.085) 4.444 26.173 ( 1.724 0.000 -2.209) 2.802 26.198 ( 0.067 0.000 7.325) 7.325 26.337 ( -1.356 0.000 6.450) 6.591 26.555 ( -4.511 0.000 -2.875) 5.349 26.624 ( 10.551 0.000 0.051) 10.551 26.841 ( 3.930 0.000 3.107) 5.010 26.851 ( -5.731 0.000 0.235) 5.736 27.044 ( -3.440 0.000 -6.807) 7.627 27.057 ( -4.676 0.000 0.189) 4.680 27.107 ( -5.967 0.000 -0.559) 5.993 27.391 ( -7.591 0.000 4.437) 8.792 27.505 ( -24.689 0.000 -39.713) 46.762 27.776 ( 1.623 0.000 3.457) 3.819 27.978 ( 4.952 0.000 -11.671) 12.679 28.582 ( -8.761 0.000 17.404) 19.485 29.648 ( 5.339 0.000 -7.103) 8.886 29.877 ( 8.054 0.000 -2.704) 8.496 29.941 ( 21.226 0.000 34.791) 40.755 ======================= Grid point 65 (29/78) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -10.667 23.190 12.632) 28.481 1.116 ( -3.430 17.419 29.660) 34.567 1.468 ( 2.709 4.629 -0.221) 5.368 1.731 ( 1.015 3.484 5.235) 6.369 1.897 ( 2.773 17.607 39.178) 43.042 2.011 ( -4.808 7.268 1.049) 8.777 2.096 ( -0.344 18.912 7.862) 20.484 2.280 ( 0.571 -0.194 7.882) 7.905 2.409 ( 5.457 -3.555 -5.344) 8.425 2.588 ( -0.315 9.073 -1.962) 9.288 2.746 ( -0.646 -1.436 6.358) 6.550 2.823 ( -2.975 5.803 -5.909) 8.801 2.861 ( 0.398 1.779 -1.035) 2.097 3.054 ( 1.763 -4.570 -1.745) 5.200 3.286 ( -1.554 -5.846 -3.648) 7.064 3.513 ( 2.351 6.375 -0.512) 6.814 3.528 ( -2.552 -7.824 -0.239) 8.233 3.647 ( 1.401 -4.347 3.775) 5.925 3.813 ( 3.902 -0.841 5.970) 7.181 3.898 ( -0.102 5.084 1.048) 5.192 3.949 ( 1.247 6.258 -2.828) 6.980 4.086 ( -1.245 4.220 0.443) 4.422 4.237 ( -1.021 3.991 -2.148) 4.646 4.513 ( -1.353 -2.577 -0.841) 3.030 4.571 ( -3.408 -1.319 3.494) 5.057 4.796 ( 9.441 -1.377 1.285) 9.627 5.009 ( 0.978 6.363 -12.001) 13.619 5.506 ( -3.732 -5.941 2.767) 7.542 5.712 ( -7.849 -3.898 -12.633) 15.376 5.894 ( -5.839 -5.972 24.785) 26.154 6.019 ( 7.724 -2.442 9.246) 12.292 6.216 ( -3.102 -6.547 -6.206) 9.540 6.406 ( -1.410 0.122 1.465) 2.037 6.655 ( -1.766 -4.564 3.492) 6.012 6.722 ( -2.064 13.263 8.143) 15.700 7.239 ( 1.876 -2.888 2.471) 4.239 7.453 ( 4.982 -1.128 2.054) 5.506 7.601 ( -0.577 4.443 3.109) 5.453 7.711 ( 2.261 3.748 -7.527) 8.707 7.887 ( -1.686 -1.792 1.118) 2.703 8.011 ( 0.704 0.844 8.551) 8.621 8.202 ( 5.738 -4.898 -15.584) 17.314 8.272 ( -3.557 2.699 2.445) 5.090 8.492 ( -3.873 -2.785 -6.265) 7.875 8.907 ( -5.489 1.030 -8.313) 10.015 9.078 ( -7.818 -11.206 -0.771) 13.685 9.167 ( 9.285 3.435 -5.955) 11.553 9.259 ( 0.533 2.076 -6.388) 6.738 9.537 ( 7.019 0.096 2.290) 7.384 9.618 ( 1.468 9.281 -0.737) 9.425 9.791 ( -2.476 2.027 -19.790) 20.047 10.043 ( -0.452 0.967 -4.971) 5.085 10.178 ( -8.196 -13.945 -2.007) 16.299 10.326 ( 2.558 1.811 -7.733) 8.344 10.396 ( 6.628 -7.575 3.506) 10.658 10.601 ( 4.638 -8.936 1.573) 10.190 10.697 ( 1.786 -1.070 0.335) 2.109 10.904 ( -5.992 -9.145 -4.046) 11.658 11.100 ( 2.434 -3.926 7.599) 8.893 11.156 ( -5.071 3.352 -1.953) 6.384 11.239 ( 5.124 -5.022 -3.264) 7.883 11.471 ( -5.668 14.527 -0.791) 15.614 11.551 ( -5.112 -7.863 5.202) 10.725 11.790 ( 0.355 -1.659 -0.639) 1.813 11.942 ( -5.631 1.328 -9.224) 10.888 12.036 ( -1.625 0.888 15.069) 15.182 12.167 ( -2.019 -2.077 8.463) 8.945 12.267 ( -4.644 -2.433 3.268) 6.178 12.354 ( 0.506 1.339 2.572) 2.943 12.498 ( 9.253 -0.749 3.945) 10.086 12.529 ( 11.675 0.748 -7.056) 13.662 12.767 ( 0.004 -9.083 8.266) 12.281 12.846 ( 0.780 9.198 3.652) 9.927 13.222 ( -6.204 9.983 -4.815) 12.701 13.300 ( -0.541 5.770 1.646) 6.025 13.535 ( 1.135 1.511 3.441) 3.926 13.630 ( 0.719 1.955 6.132) 6.476 13.886 ( 0.210 3.676 -2.499) 4.450 13.994 ( 1.832 -3.476 -2.078) 4.445 14.112 ( -0.878 10.430 -2.920) 10.866 14.339 ( -0.731 0.814 -12.418) 12.466 14.871 ( 3.278 6.425 -18.325) 19.694 15.314 ( 6.533 -2.301 7.137) 9.945 15.499 ( -0.573 -4.204 7.353) 8.490 15.609 ( -4.518 2.077 5.641) 7.520 15.741 ( -5.020 -7.082 -2.143) 8.941 15.773 ( 2.469 -4.792 1.791) 5.681 15.846 ( -2.270 0.687 1.177) 2.648 15.961 ( -1.585 -6.532 6.066) 9.054 16.278 ( 3.653 5.739 -0.206) 6.807 16.413 ( -0.773 -0.859 -3.232) 3.433 16.623 ( 0.872 -27.955 -0.217) 27.970 17.095 ( 1.306 3.745 6.807) 7.878 17.348 ( 2.471 -2.154 24.878) 25.093 18.019 ( -1.339 24.958 -15.401) 29.358 18.972 ( -2.855 -6.142 -14.353) 15.871 20.127 ( 3.057 3.024 3.386) 5.473 20.190 ( -3.961 1.961 4.435) 6.261 20.360 ( 1.785 -3.462 0.703) 3.959 20.441 ( 0.698 -6.250 1.557) 6.479 20.654 ( -1.333 4.895 -2.400) 5.613 20.693 ( -0.287 4.235 -0.745) 4.309 20.728 ( -5.056 3.553 -1.730) 6.417 20.923 ( 4.720 -0.801 -2.362) 5.339 21.019 ( 1.184 -0.581 1.304) 1.855 21.093 ( -3.535 0.777 -4.335) 5.647 21.276 ( -4.422 7.293 -11.566) 14.370 21.418 ( -0.112 -7.488 -3.975) 8.479 21.591 ( 4.043 1.973 -5.462) 7.076 21.726 ( 1.322 0.199 -1.048) 1.699 21.748 ( -2.707 1.197 -6.172) 6.845 21.800 ( -2.908 0.932 1.426) 3.370 21.939 ( 0.707 2.799 -0.890) 3.021 21.965 ( 0.444 9.935 -5.271) 11.255 22.119 ( 2.783 -1.538 -2.597) 4.106 22.283 ( 5.087 14.906 -8.803) 18.043 22.503 ( 2.737 -1.147 -4.971) 5.790 22.581 ( -2.153 2.090 -4.349) 5.284 22.907 ( -3.476 -3.601 5.396) 7.359 23.037 ( -3.478 -0.588 0.901) 3.640 23.151 ( 1.514 3.355 1.613) 4.018 23.235 ( -4.556 3.222 5.033) 7.515 23.327 ( 18.004 -0.648 5.952) 18.974 23.438 ( 2.537 -6.293 -1.736) 7.004 23.554 ( 0.281 1.505 4.293) 4.558 24.115 ( -3.636 -9.105 3.678) 10.471 24.481 ( -4.168 -2.969 9.724) 10.989 24.600 ( 1.118 -0.240 3.047) 3.254 24.673 ( 0.056 -0.021 2.848) 2.848 24.959 ( 1.680 -4.207 0.386) 4.547 25.056 ( 2.640 -1.886 2.450) 4.066 25.105 ( 1.789 -0.018 1.199) 2.153 25.131 ( 6.240 -3.134 7.188) 10.021 25.464 ( -10.890 -10.863 9.207) 17.927 25.517 ( -1.483 -2.194 -2.403) 3.576 25.873 ( 0.587 -2.439 -1.565) 2.957 26.003 ( 0.511 6.931 2.020) 7.237 26.065 ( -0.766 4.376 2.042) 4.889 26.166 ( 1.365 1.086 3.790) 4.173 26.217 ( -1.270 -0.381 5.937) 6.083 26.474 ( -2.482 -1.053 -3.943) 4.777 26.582 ( 1.667 -2.098 1.292) 2.975 26.704 ( 0.804 -0.241 -2.213) 2.367 26.754 ( 2.782 -5.046 -4.220) 7.142 26.835 ( -2.358 5.881 -5.304) 8.263 26.853 ( -4.677 0.377 -0.205) 4.697 26.991 ( 0.029 -0.689 0.799) 1.056 27.119 ( 3.577 2.462 -2.367) 4.946 27.272 ( -0.883 -1.118 -1.441) 2.026 27.408 ( 3.978 -1.500 -10.172) 11.025 27.765 ( 5.752 5.456 -5.808) 9.828 28.059 ( 8.843 0.822 -11.783) 14.755 28.688 ( -7.359 5.392 19.859) 21.854 29.335 ( -12.598 -22.440 24.105) 35.260 29.750 ( -0.397 3.435 -1.871) 3.931 30.180 ( -0.878 -2.439 -7.548) 7.981 ======================= Grid point 66 (30/78) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 1.199 2.775 11.641) 12.027 1.438 ( 3.483 -1.627 4.122) 5.636 1.574 ( 8.974 12.610 20.942) 26.041 1.814 ( 2.340 2.886 -1.161) 3.893 1.975 ( 6.246 5.395 2.382) 8.590 2.001 ( 0.648 4.967 0.543) 5.039 2.391 ( 3.975 1.459 3.093) 5.244 2.481 ( 10.676 -2.067 0.466) 10.884 2.566 ( 11.114 3.043 5.517) 12.776 2.656 ( 5.494 8.396 13.733) 17.008 2.780 ( 0.528 -0.191 3.756) 3.798 2.881 ( 13.756 14.014 9.746) 21.923 2.924 ( 5.177 3.010 2.113) 6.350 3.128 ( 4.719 -3.216 -0.009) 5.711 3.205 ( -0.538 -8.130 -4.611) 9.362 3.477 ( 4.734 3.831 -8.134) 10.161 3.583 ( -1.316 -0.819 9.601) 9.725 3.687 ( 0.111 0.206 1.029) 1.055 3.857 ( 1.946 0.659 -1.936) 2.823 3.922 ( -0.800 8.699 1.161) 8.813 4.116 ( 9.826 0.242 1.939) 10.018 4.131 ( -0.243 4.363 -7.640) 8.801 4.218 ( 10.268 0.676 13.484) 16.962 4.417 ( -4.935 -4.668 -6.711) 9.549 4.609 ( 0.271 -0.101 8.946) 8.950 4.868 ( -1.626 9.009 -11.780) 14.918 4.944 ( 6.163 -2.957 -3.221) 7.556 5.424 ( 2.971 -7.893 -23.646) 25.105 5.610 ( -2.119 4.435 17.797) 18.463 6.141 ( 2.758 -3.362 25.968) 26.330 6.268 ( 17.022 -4.360 -6.477) 18.727 6.311 ( 11.544 -2.754 14.573) 18.794 6.580 ( 14.095 -1.231 7.602) 16.062 6.758 ( 6.992 3.905 6.802) 10.508 6.793 ( 6.476 5.826 -0.371) 8.719 7.293 ( 4.705 -1.927 -2.537) 5.682 7.506 ( -2.825 3.927 1.932) 5.209 7.554 ( 2.225 5.770 -23.641) 24.436 7.652 ( -3.290 -5.197 6.076) 8.646 7.762 ( -5.386 -2.530 -7.133) 9.289 8.109 ( -1.927 -0.382 -12.770) 12.920 8.190 ( -12.273 6.950 -8.608) 16.523 8.207 ( 1.673 0.146 18.154) 18.232 8.326 ( 3.936 0.574 0.548) 4.015 8.729 ( -7.501 -6.308 1.059) 9.858 8.801 ( -13.362 -8.172 -6.661) 17.021 9.249 ( 6.831 3.201 -8.238) 11.170 9.292 ( 8.044 2.553 -10.776) 13.688 9.629 ( 2.287 3.579 -9.365) 10.283 9.706 ( 9.148 3.018 -1.475) 9.745 9.814 ( 14.465 -5.289 7.470) 17.118 10.021 ( 4.544 -6.210 -3.699) 8.538 10.077 ( -0.605 -11.865 -2.906) 12.231 10.300 ( 3.553 -6.914 -5.023) 9.255 10.559 ( 6.128 1.768 1.746) 6.613 10.606 ( -3.475 -8.587 -9.415) 13.208 10.705 ( -2.160 -8.578 -2.463) 9.182 10.803 ( -0.686 -2.116 -0.540) 2.289 11.037 ( 0.619 -0.365 6.882) 6.920 11.204 ( -0.287 5.195 1.943) 5.554 11.314 ( -11.363 6.451 -1.948) 13.210 11.369 ( -7.927 11.694 -2.775) 14.397 11.422 ( 7.179 -5.889 8.044) 12.285 11.771 ( -4.136 -6.152 -1.171) 7.505 11.855 ( 0.564 -2.601 2.649) 3.755 12.095 ( -3.433 4.437 10.099) 11.553 12.144 ( -7.731 -3.980 -3.782) 9.482 12.287 ( 1.022 1.602 3.497) 3.980 12.406 ( 0.272 -4.231 4.674) 6.311 12.601 ( 6.001 -2.594 -5.093) 8.287 12.724 ( 9.868 -2.768 3.779) 10.923 12.825 ( 6.889 -5.244 -3.162) 9.217 12.964 ( -4.713 13.051 10.262) 17.258 13.076 ( 3.762 13.146 -1.146) 13.722 13.315 ( -3.338 4.900 7.908) 9.883 13.530 ( -4.252 -3.558 0.203) 5.548 13.708 ( 4.259 3.807 -1.565) 5.923 13.835 ( -2.198 0.606 -5.909) 6.334 13.995 ( 0.095 7.100 -2.440) 7.508 14.121 ( 3.825 2.614 3.046) 5.544 14.271 ( 3.878 1.619 -8.764) 9.719 14.672 ( -4.620 6.594 -18.623) 20.289 15.418 ( -5.231 -1.939 4.521) 7.180 15.483 ( -4.057 -0.319 9.634) 10.459 15.574 ( -3.616 -2.103 -2.450) 4.848 15.682 ( -0.070 -0.671 4.064) 4.119 15.745 ( -4.934 -0.935 -0.963) 5.113 15.872 ( 3.297 -2.314 0.390) 4.046 15.990 ( -4.036 -12.591 9.741) 16.423 16.315 ( 2.003 -14.657 -5.597) 15.817 16.461 ( 5.159 0.711 2.772) 5.899 16.614 ( -0.332 -14.296 -2.979) 14.607 17.154 ( -4.091 7.034 10.055) 12.935 17.586 ( -8.132 -3.791 33.033) 34.230 17.746 ( -10.256 23.480 -18.534) 31.623 18.622 ( -15.801 -5.642 -23.935) 29.230 20.167 ( -3.895 3.168 4.768) 6.924 20.247 ( 5.234 2.252 3.478) 6.675 20.350 ( -1.182 0.045 -5.073) 5.209 20.465 ( -3.080 -1.130 4.834) 5.842 20.549 ( -3.854 0.734 -0.856) 4.015 20.656 ( -0.582 2.960 -3.968) 4.985 20.739 ( 3.915 -0.896 1.135) 4.174 20.943 ( -0.590 -1.549 -1.252) 2.077 21.011 ( -1.692 -1.092 -2.724) 3.387 21.041 ( 0.317 4.537 -0.262) 4.556 21.138 ( -2.804 3.718 0.109) 4.658 21.370 ( -0.268 -4.158 -4.822) 6.372 21.541 ( -2.173 2.233 -5.127) 5.999 21.620 ( -5.059 1.896 -2.757) 6.065 21.718 ( -2.071 -0.526 -0.216) 2.147 21.809 ( -1.857 0.442 3.741) 4.200 21.936 ( 1.831 4.549 -3.754) 6.175 21.953 ( 0.306 5.366 1.093) 5.484 22.083 ( -2.258 -1.641 -1.682) 3.259 22.266 ( -0.485 3.016 -6.555) 7.231 22.425 ( -6.978 5.568 -2.827) 9.364 22.456 ( -4.978 0.298 -1.922) 5.344 22.859 ( -6.590 -8.145 5.062) 11.635 22.968 ( -6.154 -5.753 0.426) 8.435 23.246 ( 7.014 3.178 -0.503) 7.717 23.312 ( 7.873 2.239 -2.327) 8.510 23.464 ( 3.492 -3.386 3.473) 5.977 23.577 ( 7.801 -2.029 3.683) 8.862 23.749 ( 10.620 6.329 6.479) 13.958 24.148 ( 9.932 -0.748 -7.070) 12.214 24.548 ( 1.697 -1.931 5.712) 6.264 24.620 ( 0.031 -2.174 0.057) 2.175 24.773 ( 4.697 3.058 7.310) 9.211 24.904 ( -0.721 2.511 -5.248) 5.863 25.064 ( -1.315 2.048 -0.146) 2.438 25.141 ( 3.966 -0.631 -0.559) 4.055 25.313 ( 0.513 -2.958 -2.204) 3.724 25.431 ( 2.252 0.631 -4.279) 4.876 25.559 ( 2.496 -17.790 11.145) 21.140 25.858 ( -0.620 -0.590 -0.901) 1.243 26.046 ( 0.702 3.491 1.345) 3.806 26.083 ( 1.360 0.328 3.877) 4.122 26.213 ( -0.568 -0.005 4.740) 4.774 26.264 ( 0.649 0.748 3.925) 4.048 26.398 ( -2.464 0.039 -1.145) 2.717 26.573 ( -3.460 2.076 0.204) 4.040 26.644 ( -0.570 0.244 -0.852) 1.053 26.702 ( 0.912 -2.835 -2.858) 4.127 26.838 ( 2.839 2.142 0.147) 3.559 26.887 ( 6.264 1.394 -6.574) 9.187 27.015 ( 0.843 -0.658 -1.164) 1.580 27.214 ( 11.074 -1.517 -1.395) 11.264 27.231 ( -2.942 -1.086 -0.957) 3.278 27.455 ( 3.915 -11.655 -2.415) 12.530 27.834 ( 11.680 7.941 -9.852) 17.221 28.110 ( 10.185 -1.218 -11.696) 15.557 28.768 ( -5.997 4.499 19.938) 21.300 29.305 ( -14.142 -13.766 17.805) 26.581 29.672 ( -4.232 5.927 -4.397) 8.507 30.075 ( -3.713 -0.411 -2.355) 4.416 ======================= Grid point 67 (31/78) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -7.107 -9.471 5.430) 13.026 1.445 ( -0.281 -1.080 -0.409) 1.189 1.728 ( -2.841 -2.097 6.356) 7.271 1.944 ( 6.363 5.303 2.025) 8.527 2.128 ( 9.318 -0.733 5.465) 10.827 2.245 ( 15.896 4.964 6.546) 17.893 2.461 ( 7.132 -9.331 -6.541) 13.443 2.628 ( 5.641 6.364 2.694) 8.921 2.747 ( 9.134 4.699 -1.655) 10.404 2.768 ( 2.005 4.998 0.504) 5.409 2.843 ( 3.839 5.002 1.379) 6.454 3.032 ( 4.056 1.623 0.350) 4.383 3.121 ( 2.755 -4.130 -1.527) 5.194 3.233 ( 9.708 5.749 1.853) 11.433 3.284 ( 4.880 0.071 4.948) 6.950 3.548 ( 6.394 3.463 -0.956) 7.334 3.636 ( -2.427 -0.942 5.739) 6.302 3.714 ( 4.624 1.621 2.891) 5.689 3.856 ( -0.900 1.256 -1.388) 2.078 3.884 ( -1.231 3.747 -1.707) 4.297 4.178 ( 7.986 1.963 -0.461) 8.236 4.270 ( -1.636 -4.479 -6.769) 8.279 4.328 ( 8.743 2.562 3.597) 9.795 4.451 ( 5.587 -0.729 4.333) 7.108 4.670 ( -0.276 6.164 -8.289) 10.334 4.903 ( 7.321 3.846 14.239) 16.466 4.998 ( 9.863 -0.609 -2.338) 10.154 5.263 ( 5.928 -5.644 -23.272) 24.669 5.819 ( -1.056 6.398 25.849) 26.650 6.414 ( 0.513 -4.654 21.895) 22.390 6.481 ( 0.472 -0.803 12.120) 12.156 6.640 ( 13.317 4.781 -2.654) 14.396 6.686 ( -8.045 4.485 -9.240) 13.047 6.929 ( 17.863 5.139 -1.216) 18.627 7.137 ( 21.496 -2.994 12.985) 25.291 7.251 ( -5.282 -0.887 -25.296) 25.857 7.419 ( 6.446 -3.712 0.526) 7.457 7.476 ( -7.225 3.979 -13.968) 16.222 7.539 ( 10.107 -1.206 -12.723) 16.293 7.725 ( 6.395 -1.326 -12.249) 13.882 7.851 ( 3.711 -2.863 7.522) 8.863 8.155 ( -0.730 0.350 0.286) 0.859 8.312 ( -4.811 -6.810 -4.725) 9.584 8.403 ( 2.543 1.424 8.864) 9.331 8.630 ( 1.244 3.431 13.232) 13.726 8.823 ( 4.144 -7.740 15.598) 17.899 9.273 ( 9.857 3.632 -18.368) 21.159 9.296 ( 6.135 2.650 -9.197) 11.369 9.632 ( 0.319 5.636 2.776) 6.291 9.780 ( 2.265 1.133 -7.457) 7.875 9.993 ( -1.874 -4.678 0.102) 5.040 10.115 ( 4.403 -11.898 -0.170) 12.688 10.139 ( 15.488 -12.616 -8.476) 21.700 10.378 ( -2.278 -4.873 2.672) 6.006 10.416 ( 2.975 -6.464 -0.357) 7.124 10.644 ( 2.556 2.568 -0.642) 3.679 10.684 ( 6.066 -5.046 -4.658) 9.163 10.755 ( -2.849 -2.948 -1.220) 4.278 11.033 ( -14.373 2.949 -0.264) 14.675 11.146 ( 0.542 2.823 -0.686) 2.955 11.285 ( -1.041 5.284 -0.685) 5.429 11.345 ( 10.597 0.123 11.289) 15.484 11.580 ( -0.492 -6.431 7.049) 9.554 11.720 ( -1.634 -1.346 -0.118) 2.120 11.855 ( -2.569 1.551 1.429) 3.324 11.997 ( -0.708 -1.260 -2.910) 3.249 12.153 ( -3.281 3.335 7.720) 9.027 12.285 ( -4.750 1.896 0.819) 5.180 12.418 ( -1.874 0.049 6.353) 6.624 12.628 ( -0.307 6.781 -7.181) 9.881 12.797 ( 5.610 3.045 -0.755) 6.428 12.939 ( 10.694 -3.793 -4.678) 12.273 13.019 ( 5.279 -2.920 3.113) 6.789 13.284 ( 8.631 16.086 6.595) 19.410 13.359 ( -0.487 -0.475 7.464) 7.495 13.461 ( -0.045 1.016 -2.671) 2.858 13.666 ( -4.769 1.105 -6.712) 8.308 13.752 ( -0.562 -1.169 -2.045) 2.422 14.026 ( 4.595 5.498 3.421) 7.940 14.219 ( 1.950 2.852 2.297) 4.149 14.264 ( 3.191 1.792 -5.171) 6.335 14.426 ( -3.756 7.199 -13.156) 15.460 15.325 ( -9.641 -1.448 4.998) 10.955 15.445 ( -7.644 -1.075 0.781) 7.759 15.527 ( 0.260 -0.299 -3.600) 3.621 15.605 ( -4.136 1.355 -4.289) 6.111 15.748 ( -1.324 -0.934 3.602) 3.949 15.953 ( 1.118 -3.715 4.839) 6.202 16.010 ( -5.057 -14.107 14.064) 20.552 16.230 ( -6.129 -28.711 -5.373) 29.846 16.542 ( 0.998 2.612 -2.331) 3.640 16.613 ( 6.637 -2.227 -1.871) 7.246 17.152 ( -7.833 9.265 10.115) 15.796 17.354 ( -14.020 19.044 -16.116) 28.618 17.691 ( -17.339 -4.954 32.011) 36.741 18.028 ( -22.996 -4.292 -27.606) 36.185 20.141 ( -4.384 3.514 3.428) 6.582 20.224 ( -4.147 1.266 -4.323) 6.123 20.320 ( -2.244 3.064 -0.499) 3.830 20.433 ( -3.721 1.818 2.175) 4.678 20.532 ( 0.330 -1.372 0.540) 1.511 20.608 ( -2.028 1.562 -1.031) 2.760 20.786 ( 0.698 -7.415 -1.390) 7.577 20.873 ( -4.865 -4.068 -4.526) 7.791 20.983 ( -1.892 4.985 0.779) 5.388 21.074 ( 4.213 6.123 2.021) 7.702 21.172 ( 1.743 1.812 5.906) 6.419 21.329 ( 1.534 -2.234 -4.951) 5.644 21.471 ( -2.759 1.207 0.569) 3.065 21.536 ( -2.389 3.128 -0.207) 3.942 21.666 ( -4.464 -2.916 1.206) 5.467 21.765 ( -5.211 3.289 2.607) 6.691 21.945 ( 2.904 0.805 -3.959) 4.975 21.977 ( 1.744 3.768 1.158) 4.311 22.065 ( -1.731 0.593 2.560) 3.147 22.166 ( -0.985 0.075 -5.138) 5.232 22.306 ( -5.147 -1.952 -1.012) 5.597 22.374 ( -3.439 7.198 -0.230) 7.980 22.767 ( -8.076 -10.069 -0.647) 12.924 22.826 ( -8.240 -4.844 -2.476) 9.874 23.335 ( 4.146 0.761 0.101) 4.217 23.395 ( 5.998 1.496 -6.891) 9.257 23.574 ( 3.233 -1.018 0.890) 3.504 23.674 ( 2.140 0.669 3.547) 4.196 24.024 ( 14.733 5.065 6.412) 16.847 24.319 ( 14.903 -1.702 -4.748) 15.733 24.594 ( -0.686 -0.642 -1.269) 1.579 24.640 ( 1.855 -1.374 3.449) 4.150 24.864 ( 3.562 2.918 -3.674) 5.891 24.960 ( 6.967 3.701 6.366) 10.137 25.040 ( -1.031 2.517 -0.480) 2.762 25.175 ( 1.581 0.168 -2.975) 3.373 25.274 ( -2.573 -2.854 0.334) 3.857 25.482 ( 9.902 2.956 -4.638) 11.327 25.652 ( 0.092 -7.460 3.568) 8.269 25.837 ( -1.112 3.157 -0.190) 3.352 26.058 ( 1.585 -1.537 -0.084) 2.209 26.166 ( 2.508 -0.097 3.476) 4.287 26.237 ( -0.155 1.667 1.452) 2.216 26.309 ( 2.671 -2.108 0.382) 3.424 26.389 ( -0.292 1.486 3.942) 4.223 26.537 ( -1.647 4.753 1.926) 5.386 26.655 ( 2.198 -3.287 -3.746) 5.447 26.701 ( -0.625 -4.407 0.705) 4.507 26.878 ( 4.144 -0.691 -5.165) 6.658 26.938 ( 3.483 4.419 0.613) 5.659 27.025 ( 0.932 -4.248 0.085) 4.350 27.193 ( 0.963 1.020 -0.950) 1.694 27.370 ( 3.668 -5.759 -1.166) 6.927 27.451 ( 1.167 -9.177 0.286) 9.256 27.974 ( 15.342 5.122 -10.283) 19.166 28.170 ( 10.000 -1.537 -11.368) 15.218 28.860 ( -4.988 3.140 17.906) 18.851 29.218 ( -13.640 -6.664 13.785) 20.506 29.568 ( -0.883 7.118 -6.424) 9.629 30.005 ( -4.326 -3.473 0.927) 5.624 ======================= Grid point 68 (32/78) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -6.478 -9.914 7.273) 13.898 1.467 ( 0.867 2.518 4.414) 5.155 1.688 ( -5.592 1.265 0.301) 5.741 2.087 ( 8.062 -3.127 1.654) 8.804 2.305 ( 5.266 -4.221 0.311) 6.756 2.334 ( 1.941 -5.476 -8.969) 10.687 2.616 ( 5.834 3.870 -1.720) 7.209 2.704 ( 6.740 -1.245 3.042) 7.498 2.766 ( 1.214 2.204 -3.634) 4.421 2.878 ( 5.819 9.500 -6.401) 12.849 2.919 ( 5.458 1.419 3.331) 6.550 3.108 ( 5.101 0.276 2.125) 5.533 3.180 ( 1.308 -0.658 1.917) 2.412 3.358 ( 4.293 5.121 -2.117) 7.010 3.362 ( 4.316 4.847 1.811) 6.739 3.593 ( -1.435 1.338 3.653) 4.147 3.678 ( 4.021 0.820 1.494) 4.367 3.802 ( -2.722 -0.971 -1.831) 3.422 3.871 ( 1.232 3.276 4.949) 6.061 3.889 ( 4.313 -1.665 0.677) 4.673 4.199 ( 2.371 -4.782 -0.530) 5.363 4.315 ( 2.722 -0.757 0.891) 2.962 4.439 ( 5.012 -5.132 1.966) 7.438 4.542 ( 0.232 -0.584 -9.497) 9.518 4.633 ( 8.023 10.202 -0.040) 12.979 5.007 ( 5.375 7.426 0.077) 9.167 5.195 ( 10.310 -3.338 -17.685) 20.741 5.384 ( 14.575 -0.181 15.321) 21.147 6.014 ( -5.070 5.606 22.329) 23.574 6.271 ( -13.070 13.448 -15.111) 24.083 6.503 ( -10.640 6.066 17.615) 21.454 6.605 ( -5.470 -4.449 12.056) 13.966 6.669 ( -3.572 -0.097 -11.204) 11.760 6.904 ( -7.690 -2.485 -14.292) 16.419 7.159 ( 1.154 -3.436 -2.892) 4.637 7.225 ( 3.150 1.914 -3.644) 5.183 7.454 ( -6.702 -3.148 14.074) 15.903 7.547 ( 6.601 -5.716 -7.184) 11.307 7.642 ( 10.931 -3.484 5.181) 12.588 7.969 ( 11.156 -9.424 -5.573) 15.631 8.086 ( 10.619 -1.878 -5.483) 12.098 8.120 ( 16.062 -1.828 6.524) 17.433 8.345 ( 20.635 -6.229 -13.584) 25.478 8.664 ( 18.017 -0.460 5.437) 18.825 8.863 ( 4.248 0.668 18.566) 19.058 9.070 ( 8.629 0.277 4.745) 9.851 9.258 ( 11.371 3.169 -13.534) 17.958 9.315 ( 4.150 6.462 -9.160) 11.953 9.653 ( -0.754 1.184 3.572) 3.838 9.762 ( 1.859 7.666 1.662) 8.062 9.897 ( -3.719 3.007 0.752) 4.841 10.077 ( -2.568 -1.616 -6.597) 7.261 10.189 ( -10.253 -0.372 -1.146) 10.323 10.385 ( 12.585 -9.569 -7.237) 17.387 10.510 ( -12.102 6.776 -2.770) 14.144 10.646 ( 10.064 -8.132 7.731) 15.073 10.774 ( -0.055 -3.234 5.082) 6.024 10.825 ( -0.482 -2.283 2.074) 3.122 10.908 ( 13.707 -7.091 -7.985) 17.377 11.139 ( 1.823 -5.147 -4.907) 7.341 11.308 ( 1.938 -1.950 1.188) 2.995 11.529 ( -0.503 -0.891 4.956) 5.060 11.602 ( 5.197 -5.910 3.140) 8.473 11.790 ( 1.596 -1.925 5.664) 6.192 11.831 ( -3.715 0.727 4.629) 5.980 11.948 ( -3.972 -1.056 -0.144) 4.112 12.112 ( -4.811 2.797 -4.448) 7.124 12.210 ( -1.595 5.969 -3.861) 7.286 12.396 ( -7.365 7.828 7.879) 13.327 12.576 ( -1.546 11.014 1.754) 11.260 12.917 ( 7.552 -2.984 -8.558) 11.797 13.066 ( 8.804 -4.177 2.092) 9.967 13.172 ( 14.244 -3.091 -4.800) 15.345 13.319 ( -0.030 12.817 -9.827) 16.151 13.433 ( 0.029 -0.263 3.120) 3.131 13.559 ( 8.998 5.812 5.719) 12.143 13.619 ( 4.904 0.741 3.911) 6.316 13.731 ( 0.169 -2.677 -0.365) 2.707 14.121 ( 3.701 -6.601 -4.966) 9.051 14.222 ( -2.259 -2.749 -0.734) 3.633 14.292 ( 1.953 8.018 -0.632) 8.277 14.428 ( 10.331 13.484 10.078) 19.751 15.189 ( -12.462 -1.065 5.948) 13.850 15.241 ( -12.997 0.180 -5.125) 13.972 15.485 ( 1.098 -0.333 -8.413) 8.491 15.518 ( -3.400 -2.298 -3.578) 5.445 15.680 ( -8.889 -4.343 -0.243) 9.896 15.924 ( -6.847 -13.256 -8.294) 17.070 16.016 ( -8.969 -15.609 12.504) 21.919 16.160 ( 0.901 -6.538 8.977) 11.142 16.554 ( 3.131 5.565 -1.162) 6.491 16.705 ( 4.784 -2.778 -2.222) 5.962 16.959 ( -11.742 9.763 -10.634) 18.609 17.138 ( -7.994 10.884 6.481) 14.979 17.372 ( -22.344 -3.727 -21.932) 31.530 17.623 ( -22.085 -3.468 22.674) 31.841 20.064 ( -6.730 2.934 0.584) 7.365 20.130 ( -3.081 1.767 -2.141) 4.147 20.243 ( -4.414 -0.655 0.663) 4.512 20.386 ( -4.800 2.107 2.689) 5.892 20.534 ( -1.948 -0.870 2.235) 3.089 20.585 ( -0.459 -0.464 -0.150) 0.670 20.704 ( -5.600 -5.341 -1.551) 7.893 20.788 ( -1.320 -2.859 -2.761) 4.188 20.938 ( -1.943 4.346 -1.718) 5.061 21.124 ( -2.661 9.427 0.960) 9.842 21.246 ( 1.920 0.872 1.266) 2.460 21.337 ( 3.087 -0.138 -1.850) 3.601 21.470 ( -1.798 -1.347 6.557) 6.931 21.537 ( 1.831 0.236 -0.646) 1.956 21.639 ( 1.637 -0.332 1.051) 1.973 21.740 ( -2.257 -0.129 5.162) 5.635 21.953 ( 2.953 1.716 -4.955) 6.018 22.023 ( 0.832 -0.199 0.822) 1.186 22.046 ( -2.034 6.288 4.438) 7.961 22.153 ( 0.841 -2.632 -2.547) 3.758 22.242 ( -0.588 -2.439 -1.352) 2.849 22.330 ( -1.487 4.256 0.234) 4.514 22.574 ( -9.259 -6.383 -4.792) 12.225 22.672 ( -7.616 -2.508 -2.255) 8.329 23.384 ( 2.472 -0.401 -2.576) 3.593 23.394 ( 3.143 1.047 -7.003) 7.747 23.553 ( -3.365 3.496 1.036) 4.961 23.795 ( 5.962 -0.536 3.118) 6.749 24.319 ( 11.807 0.719 5.532) 13.059 24.498 ( 8.641 -2.064 -2.515) 9.233 24.565 ( -0.133 0.765 0.210) 0.804 24.702 ( 1.866 -2.911 2.879) 4.499 24.923 ( 6.799 3.824 -3.453) 8.531 25.021 ( -0.909 2.644 0.190) 2.802 25.093 ( 3.067 -0.930 -0.764) 3.294 25.211 ( 4.956 5.852 3.258) 8.332 25.234 ( -2.852 -2.359 0.621) 3.753 25.621 ( 8.055 0.057 -5.352) 9.671 25.669 ( 1.407 -0.527 2.258) 2.712 25.824 ( -0.392 5.719 0.501) 5.754 26.107 ( 3.428 -3.283 0.597) 4.784 26.222 ( 2.159 1.712 0.007) 2.755 26.253 ( 2.526 3.024 -1.331) 4.159 26.350 ( 2.888 -3.037 -3.114) 5.222 26.450 ( 0.950 0.195 5.957) 6.035 26.523 ( -0.655 4.205 -1.376) 4.473 26.651 ( 1.992 -3.323 -2.944) 4.866 26.693 ( -2.756 -2.552 3.773) 5.324 26.863 ( -0.391 1.324 -3.370) 3.642 27.004 ( 2.840 -1.780 0.773) 3.439 27.039 ( -0.480 -6.035 1.620) 6.267 27.247 ( 4.583 2.130 -1.983) 5.429 27.317 ( -5.332 -7.768 4.607) 10.488 27.532 ( 4.326 -4.185 -0.102) 6.020 28.128 ( 12.939 2.366 -8.530) 15.677 28.233 ( 9.425 -0.853 -9.645) 13.512 28.931 ( -4.946 1.841 13.735) 14.714 29.120 ( -11.386 -2.622 10.552) 15.744 29.529 ( 3.513 5.717 -6.701) 9.483 29.935 ( -4.184 -4.301 -0.682) 6.040 ======================= Grid point 69 (33/78) ======================= q-point: ( 0.40 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -3.789 -4.795 10.863) 12.464 1.539 ( 0.900 11.458 2.755) 11.819 1.587 ( -4.030 -2.266 1.729) 4.936 2.146 ( -1.347 0.782 -4.768) 5.016 2.274 ( 5.327 -9.055 -2.298) 10.754 2.428 ( 4.833 -6.289 -0.104) 7.932 2.596 ( 1.557 -1.298 -4.966) 5.364 2.755 ( -0.115 -0.463 -2.225) 2.276 2.846 ( 3.656 4.095 -1.643) 5.730 2.880 ( 3.597 5.171 -4.364) 7.663 3.042 ( 4.184 -0.223 3.166) 5.252 3.154 ( -0.736 -2.814 -0.073) 2.910 3.257 ( 5.851 3.322 2.051) 7.034 3.407 ( 1.601 7.058 0.609) 7.263 3.444 ( 3.945 4.520 0.854) 6.060 3.604 ( -1.203 -0.937 3.619) 3.927 3.727 ( -4.215 -0.790 0.033) 4.288 3.761 ( 3.161 2.131 -0.664) 3.869 3.893 ( -1.326 -0.605 1.707) 2.245 3.917 ( -1.874 1.898 2.868) 3.917 4.240 ( 0.697 -3.163 -0.240) 3.248 4.361 ( 0.377 -0.860 -5.347) 5.429 4.469 ( 1.844 -6.361 0.988) 6.696 4.541 ( 5.695 -8.462 -2.390) 10.476 4.810 ( 7.691 10.205 8.262) 15.217 5.113 ( 4.691 11.531 1.927) 12.597 5.273 ( 13.816 -2.381 -8.506) 16.398 5.681 ( 6.824 -2.069 7.673) 10.475 5.958 ( -4.262 11.186 -4.650) 12.841 6.135 ( -10.009 6.637 16.810) 20.659 6.381 ( -7.019 4.386 -1.951) 8.504 6.461 ( -11.819 7.006 8.867) 16.352 6.699 ( -8.464 -3.960 17.545) 19.878 6.769 ( 2.925 -4.707 -3.725) 6.677 7.019 ( -0.048 -8.765 -10.504) 13.681 7.322 ( -3.960 -1.927 6.834) 8.130 7.428 ( -9.119 2.057 12.303) 15.451 7.514 ( 0.296 -3.157 -2.845) 4.261 7.795 ( 0.115 -7.611 6.337) 9.904 7.945 ( 2.599 -16.491 -5.461) 17.565 8.363 ( 7.421 -3.548 2.673) 8.649 8.442 ( 20.389 -1.266 -1.060) 20.456 8.534 ( 11.715 -8.126 -15.496) 21.057 8.974 ( 16.715 -2.205 -3.958) 17.318 9.040 ( 10.436 1.079 -12.312) 16.176 9.206 ( 10.584 5.368 -5.433) 13.052 9.321 ( 7.408 5.768 -4.047) 10.224 9.437 ( 7.784 5.946 5.505) 11.236 9.696 ( -1.825 2.902 3.826) 5.138 9.815 ( -2.786 4.716 -3.588) 6.549 9.868 ( -0.121 5.796 10.431) 11.934 9.999 ( -6.765 5.656 -0.856) 8.860 10.073 ( 4.811 7.985 4.332) 10.280 10.212 ( -18.724 9.070 -2.606) 20.968 10.467 ( 7.058 -5.003 -7.790) 11.642 10.679 ( -3.577 -1.678 -0.887) 4.049 10.936 ( 7.090 -6.597 10.075) 13.975 10.960 ( 11.293 -6.863 -3.437) 13.654 11.002 ( 3.551 -4.557 -6.736) 8.874 11.146 ( 3.340 -10.004 -3.356) 11.068 11.300 ( -1.432 -3.637 -1.960) 4.373 11.600 ( 3.016 -3.091 -2.763) 5.127 11.681 ( -8.913 -4.680 -0.081) 10.067 11.713 ( 2.453 -8.603 1.329) 9.044 11.854 ( -3.629 -3.146 1.790) 5.126 11.889 ( -5.257 -5.928 5.250) 9.505 12.017 ( 2.691 2.744 -5.353) 6.590 12.133 ( -2.235 5.228 -3.735) 6.803 12.367 ( -2.352 16.776 3.543) 17.307 12.578 ( -0.005 17.009 1.252) 17.055 12.943 ( 4.020 -0.531 -1.764) 4.422 13.181 ( -3.690 3.800 -1.527) 5.512 13.240 ( 3.398 -2.384 -0.731) 4.215 13.371 ( 10.426 -3.714 -0.979) 11.111 13.475 ( 8.209 -0.413 -6.192) 10.290 13.699 ( 4.913 7.325 1.134) 8.892 13.774 ( 4.553 -4.016 4.029) 7.287 13.906 ( 16.087 2.124 0.580) 16.237 14.154 ( 2.766 -4.590 1.094) 5.469 14.186 ( -1.360 -3.742 2.460) 4.680 14.368 ( 9.113 5.103 2.389) 10.714 14.646 ( -4.768 7.369 3.083) 9.303 15.021 ( -12.605 -0.534 2.470) 12.856 15.061 ( 1.329 0.380 2.187) 2.587 15.310 ( -14.739 -1.547 -1.260) 14.873 15.412 ( -5.712 -5.458 -2.627) 8.326 15.510 ( -3.701 -9.942 -6.410) 12.395 15.691 ( -4.543 -1.443 -10.810) 11.814 16.061 ( -4.550 -5.806 14.356) 16.140 16.207 ( -3.088 -2.053 -0.316) 3.722 16.592 ( 1.451 3.705 -3.050) 5.014 16.699 ( -2.046 -2.656 -4.618) 5.707 16.747 ( -2.474 0.645 -5.237) 5.828 16.917 ( -4.686 -3.638 -8.722) 10.548 17.097 ( -7.249 9.328 4.748) 12.732 17.427 ( -19.415 -0.437 12.263) 22.968 19.969 ( -4.216 2.111 1.160) 4.856 20.081 ( -1.458 1.089 0.094) 1.822 20.200 ( -3.003 -3.640 2.826) 5.500 20.316 ( -6.628 -0.482 4.331) 7.932 20.537 ( -0.266 -0.603 1.814) 1.930 20.561 ( -0.679 -1.848 -0.304) 1.992 20.649 ( -1.827 0.808 0.775) 2.143 20.764 ( -0.212 -1.548 2.099) 2.617 20.905 ( 0.053 3.424 -1.270) 3.652 21.058 ( -4.120 10.748 1.161) 11.569 21.266 ( 1.085 -1.425 -1.421) 2.287 21.366 ( 1.367 0.490 -0.723) 1.622 21.486 ( -3.159 -1.146 4.441) 5.569 21.575 ( 1.325 -2.744 0.554) 3.097 21.685 ( 2.872 0.182 -2.268) 3.664 21.788 ( 2.318 -4.867 4.168) 6.814 21.937 ( 1.478 3.860 -6.352) 7.578 22.008 ( -2.458 -0.654 -0.514) 2.595 22.054 ( -0.254 3.098 -0.949) 3.250 22.130 ( -0.818 1.811 -1.846) 2.712 22.215 ( -0.086 -0.203 -6.070) 6.074 22.347 ( 0.577 -1.894 3.748) 4.239 22.413 ( -4.536 -0.268 -1.732) 4.863 22.549 ( -3.653 -0.111 -1.207) 3.849 23.378 ( 1.148 -1.151 -3.042) 3.449 23.405 ( 3.331 -0.134 -1.451) 3.636 23.532 ( -1.685 5.930 3.468) 7.073 23.897 ( 2.914 -1.503 1.634) 3.663 24.482 ( 2.352 -1.151 2.404) 3.555 24.562 ( 3.173 0.353 1.121) 3.384 24.625 ( 2.178 -0.280 3.411) 4.057 24.771 ( 2.368 -3.364 3.386) 5.328 24.998 ( 2.988 2.665 -1.616) 4.318 25.024 ( 2.947 2.665 -0.300) 3.985 25.108 ( 0.887 -0.335 -0.835) 1.263 25.176 ( -2.495 -1.129 -2.411) 3.649 25.338 ( 2.595 4.211 5.411) 7.331 25.626 ( 0.071 -1.497 -1.473) 2.102 25.737 ( 3.669 5.161 -3.493) 7.232 25.847 ( 2.538 3.189 0.339) 4.090 26.163 ( 1.828 -2.237 0.945) 3.040 26.254 ( 3.158 2.235 -2.639) 4.683 26.288 ( 2.480 3.615 -1.117) 4.524 26.355 ( 2.598 -3.248 -3.670) 5.546 26.495 ( -0.139 2.488 -0.440) 2.531 26.506 ( 0.516 2.132 0.191) 2.202 26.627 ( -1.653 -3.438 -2.982) 4.842 26.688 ( -2.662 -1.530 1.743) 3.531 26.843 ( 0.880 2.440 0.768) 2.705 27.027 ( -1.695 -6.072 2.634) 6.832 27.049 ( 1.420 -5.703 -1.622) 6.097 27.201 ( -2.076 -4.149 -5.069) 6.872 27.401 ( 0.879 -0.319 12.825) 12.859 27.591 ( 1.794 -3.370 3.148) 4.948 28.239 ( 8.903 1.430 -7.339) 11.626 28.304 ( 8.338 -0.476 -7.080) 10.949 28.947 ( -6.130 1.151 9.101) 11.033 29.042 ( -8.492 -0.959 8.359) 11.954 29.541 ( 5.159 3.860 -7.297) 9.735 29.849 ( -2.722 -3.418 -4.785) 6.480 ======================= Grid point 70 (34/78) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -6.947 0.906 8.847) 11.285 1.500 ( -1.965 10.473 -1.835) 10.812 1.641 ( -0.148 -4.001 8.152) 9.083 2.127 ( 4.284 0.753 -2.902) 5.229 2.325 ( 1.126 -9.068 0.241) 9.140 2.463 ( -0.723 -8.376 -1.242) 8.498 2.621 ( 2.728 -2.634 -1.842) 4.216 2.685 ( 0.328 -3.067 -6.431) 7.132 2.863 ( -2.714 4.338 -1.754) 5.409 2.900 ( 4.788 5.153 -1.421) 7.176 3.086 ( -2.696 0.377 3.076) 4.107 3.160 ( 1.435 -0.847 -0.316) 1.696 3.350 ( 2.060 3.056 0.132) 3.688 3.417 ( -0.510 7.442 2.454) 7.853 3.480 ( -0.405 4.455 -0.330) 4.486 3.599 ( -6.738 -0.557 1.708) 6.973 3.677 ( 3.319 -0.243 -0.384) 3.350 3.774 ( 0.019 2.753 -1.493) 3.131 3.889 ( -1.462 -0.492 3.330) 3.670 3.917 ( -2.800 1.926 3.760) 5.068 4.198 ( -1.394 -2.438 -4.570) 5.364 4.327 ( 1.619 -1.456 -1.072) 2.427 4.494 ( 0.580 -3.736 -2.501) 4.533 4.592 ( 1.481 -8.378 -1.965) 8.732 4.979 ( -1.534 6.071 12.440) 13.927 5.164 ( -1.576 10.788 2.278) 11.138 5.484 ( 12.493 -5.852 1.979) 13.937 5.776 ( -0.010 -4.952 1.960) 5.326 5.956 ( 3.867 10.874 2.652) 11.842 6.084 ( -10.931 5.657 10.417) 16.124 6.286 ( -12.045 8.762 4.564) 15.578 6.497 ( 11.841 4.295 13.559) 18.507 6.603 ( -18.001 -3.231 8.153) 20.024 6.914 ( 9.490 -2.843 5.855) 11.507 7.026 ( 4.553 -10.558 2.554) 11.779 7.273 ( -1.337 -1.292 3.775) 4.207 7.449 ( -3.870 4.287 13.290) 14.491 7.556 ( 4.936 -2.005 3.828) 6.560 7.793 ( -4.928 -6.546 2.286) 8.506 7.950 ( 2.893 -15.303 -4.592) 16.237 8.408 ( -8.151 -5.252 -10.368) 14.196 8.447 ( 2.565 -7.809 -4.094) 9.182 8.628 ( 3.809 4.265 -8.784) 10.482 9.036 ( 4.983 -4.665 -14.102) 15.667 9.146 ( -4.216 2.719 -1.916) 5.370 9.271 ( 12.988 3.058 -8.444) 15.791 9.314 ( -3.430 6.170 -11.786) 13.739 9.540 ( 5.574 5.681 -2.991) 8.503 9.658 ( 2.884 2.079 -2.924) 4.603 9.798 ( -16.990 8.512 -2.319) 19.144 9.820 ( -1.119 7.209 2.381) 7.674 9.948 ( -3.047 3.384 9.858) 10.859 10.054 ( 5.990 3.217 4.245) 8.015 10.221 ( 1.711 8.643 11.753) 14.689 10.497 ( -2.122 -5.339 -0.484) 5.765 10.670 ( 7.516 0.170 -6.799) 10.136 10.865 ( -8.124 -4.602 -6.752) 11.523 10.978 ( -1.530 -3.950 -4.234) 5.989 11.177 ( 4.027 -5.590 3.267) 7.625 11.187 ( 10.718 -19.155 -8.868) 23.674 11.269 ( -0.448 -0.452 4.356) 4.402 11.494 ( -8.628 -8.333 -9.381) 15.228 11.603 ( 0.491 -2.740 -3.391) 4.387 11.692 ( -6.359 -1.452 0.223) 6.527 11.754 ( 1.597 -8.104 0.743) 8.293 11.919 ( -5.042 -8.285 5.986) 11.397 12.038 ( 5.125 9.056 -4.008) 11.151 12.124 ( 3.835 4.085 -2.005) 5.951 12.376 ( -0.859 20.175 1.474) 20.247 12.581 ( -1.043 17.795 -0.307) 17.828 12.966 ( -1.638 0.498 0.029) 1.712 13.158 ( 2.288 3.319 6.063) 7.281 13.244 ( -2.155 -1.243 -3.037) 3.926 13.494 ( 1.774 -3.206 2.092) 4.219 13.558 ( 6.987 -3.148 -5.725) 9.566 13.770 ( 1.966 1.785 2.074) 3.369 13.898 ( -0.162 -1.584 3.806) 4.125 14.016 ( 2.672 -0.609 -3.216) 4.225 14.118 ( -6.771 -2.158 -0.675) 7.138 14.153 ( -8.660 -2.620 -1.365) 9.150 14.582 ( -2.455 2.284 10.060) 10.604 14.599 ( 3.828 6.050 1.167) 7.254 14.887 ( 6.206 -2.177 -3.017) 7.236 14.988 ( -4.275 2.283 -3.603) 6.039 15.177 ( -5.518 2.898 4.411) 7.636 15.296 ( 1.649 -8.961 -4.934) 10.361 15.561 ( 1.004 2.372 -10.191) 10.511 15.645 ( 12.327 -13.951 9.580) 20.937 16.040 ( -6.052 -1.228 -9.661) 11.466 16.087 ( -7.658 -2.157 9.923) 12.719 16.565 ( 1.031 -0.871 -8.233) 8.343 16.616 ( 3.448 -3.006 -8.730) 9.856 16.770 ( 6.677 2.236 3.197) 7.733 17.006 ( 5.152 0.727 5.852) 7.831 17.012 ( -1.309 3.607 2.665) 4.672 17.245 ( -8.773 2.194 2.912) 9.501 19.961 ( 0.579 1.878 3.387) 3.916 20.073 ( -0.370 1.152 0.670) 1.383 20.196 ( -0.743 -3.741 3.903) 5.457 20.285 ( -1.403 -1.859 4.369) 4.951 20.522 ( -1.117 -0.696 -0.220) 1.334 20.598 ( 0.955 -0.527 2.546) 2.770 20.634 ( -0.312 2.445 2.774) 3.711 20.831 ( 2.629 -1.122 6.920) 7.488 20.914 ( 1.444 2.685 -0.329) 3.067 21.040 ( 0.130 8.236 2.840) 8.713 21.265 ( 1.114 -1.439 -2.158) 2.823 21.374 ( -1.397 -1.078 1.154) 2.108 21.437 ( -3.757 0.590 -1.190) 3.984 21.580 ( -0.922 -2.299 0.210) 2.485 21.661 ( -0.931 -1.703 -6.802) 7.073 21.819 ( -3.827 -3.869 -0.522) 5.467 21.908 ( 3.279 4.392 -6.324) 8.368 21.964 ( 0.411 0.195 0.028) 0.456 22.041 ( -3.535 3.558 -1.403) 5.208 22.075 ( 1.473 1.289 -6.519) 6.807 22.148 ( 1.691 1.527 -3.945) 4.556 22.320 ( -1.875 -5.729 -1.149) 6.137 22.465 ( 4.603 -0.486 2.770) 5.394 22.531 ( 1.271 0.835 1.318) 2.012 23.390 ( 2.031 1.063 -1.180) 2.578 23.442 ( 0.283 1.183 0.783) 1.447 23.579 ( 1.471 3.740 7.749) 8.729 23.917 ( -1.323 -1.871 -0.469) 2.339 24.527 ( 0.451 -0.643 3.801) 3.881 24.593 ( -1.428 -1.254 1.747) 2.581 24.673 ( -1.419 1.288 4.305) 4.712 24.817 ( -1.545 -1.943 3.218) 4.064 25.007 ( -0.319 1.649 0.852) 1.883 25.077 ( 0.058 -0.492 -3.373) 3.409 25.106 ( 2.583 0.907 -0.178) 2.743 25.139 ( 0.459 -0.064 -0.111) 0.476 25.376 ( -2.936 3.867 3.042) 5.730 25.623 ( 0.760 -1.218 -0.295) 1.465 25.743 ( 1.974 6.546 -3.606) 7.730 25.879 ( 1.108 0.689 -1.243) 1.802 26.183 ( -0.570 -1.276 0.979) 1.706 26.262 ( 0.706 1.245 -3.218) 3.522 26.302 ( -0.186 3.638 -0.607) 3.693 26.379 ( 2.302 0.777 -2.567) 3.534 26.451 ( -1.042 0.756 -3.838) 4.048 26.539 ( -2.455 -1.233 -2.544) 3.744 26.554 ( 0.532 -0.159 1.688) 1.777 26.626 ( -1.293 0.679 -4.146) 4.396 26.899 ( 1.488 -1.243 3.687) 4.165 27.025 ( -1.121 -5.045 1.762) 5.460 27.037 ( 0.209 -6.934 -2.534) 7.386 27.131 ( -0.423 -2.902 -3.500) 4.567 27.529 ( -1.930 -0.269 14.365) 14.497 27.666 ( 0.617 -2.975 7.351) 7.954 28.282 ( 4.897 1.403 -8.139) 9.602 28.372 ( 6.660 -0.859 -6.006) 9.009 28.908 ( -6.722 0.984 5.984) 9.053 28.986 ( -7.987 -0.671 9.028) 12.072 29.546 ( 3.932 2.744 -8.007) 9.333 29.761 ( 0.390 -2.171 -8.489) 8.771 ======================= Grid point 71 (35/78) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -1.668 2.213 10.819) 11.168 1.452 ( -1.185 9.178 -1.239) 9.336 1.702 ( -2.114 -7.919 7.456) 11.081 2.107 ( -4.157 -4.941 -4.886) 8.097 2.347 ( -8.553 -9.137 -4.335) 13.245 2.391 ( 3.570 -6.177 -1.322) 7.256 2.532 ( -2.644 2.864 -6.357) 7.457 2.744 ( -5.090 5.517 1.349) 7.627 2.780 ( 5.785 -3.853 -4.529) 8.296 2.939 ( -0.866 5.029 0.191) 5.107 3.030 ( -6.309 1.254 2.341) 6.845 3.168 ( -0.641 -0.415 0.787) 1.097 3.322 ( -4.349 5.093 0.915) 6.760 3.421 ( -2.949 1.866 -0.669) 3.553 3.479 ( 1.595 5.385 -0.552) 5.643 3.494 ( -5.774 4.013 4.170) 8.175 3.739 ( -0.023 3.552 0.556) 3.595 3.757 ( 1.127 0.581 -1.384) 1.877 3.865 ( -4.472 3.011 0.838) 5.456 3.898 ( -2.609 -1.143 3.222) 4.301 4.200 ( 3.157 -2.485 1.595) 4.323 4.334 ( -2.132 -1.087 2.414) 3.399 4.467 ( 0.978 -4.674 -6.327) 7.927 4.537 ( -2.761 -2.399 -4.724) 5.975 5.005 ( -7.255 2.705 7.108) 10.511 5.082 ( -10.092 7.820 2.171) 12.950 5.603 ( -4.763 -11.856 2.481) 13.016 5.754 ( -6.593 -6.377 10.026) 13.588 5.915 ( -7.785 6.252 3.757) 10.668 6.130 ( -8.046 9.029 1.381) 12.172 6.260 ( 17.826 8.366 5.137) 20.350 6.303 ( -18.405 -0.459 -0.411) 18.415 6.935 ( 18.132 1.580 8.111) 19.927 7.042 ( -5.378 -4.873 6.572) 9.790 7.180 ( 9.164 0.479 12.362) 15.395 7.392 ( 2.518 -3.528 11.547) 12.333 7.553 ( 3.855 -0.758 0.710) 3.992 7.672 ( -5.578 -2.449 -1.532) 6.282 7.780 ( 6.486 -1.390 16.331) 17.627 7.987 ( 5.733 -7.911 -1.090) 9.831 8.132 ( -6.861 4.522 -10.891) 13.644 8.280 ( -12.663 3.007 -18.977) 23.011 8.495 ( -7.079 -4.098 -1.733) 8.361 8.741 ( -23.690 0.589 -8.401) 25.142 8.967 ( -12.294 -5.090 4.652) 14.096 9.131 ( -4.905 -2.437 -11.414) 12.660 9.372 ( -2.368 10.925 -14.981) 18.693 9.520 ( -15.012 5.551 2.461) 16.193 9.583 ( 19.008 -3.874 2.495) 19.559 9.787 ( 4.112 4.782 3.118) 7.036 9.880 ( 6.117 -0.387 0.528) 6.152 10.048 ( 6.710 -0.102 -4.958) 8.344 10.166 ( 1.562 -3.264 -1.413) 3.885 10.349 ( -1.655 3.994 11.578) 12.358 10.432 ( 0.742 2.893 0.375) 3.010 10.662 ( -3.724 -5.221 -2.579) 6.912 10.727 ( -1.825 -6.629 -0.388) 6.887 10.896 ( -4.037 -7.424 -0.275) 8.455 11.136 ( -4.923 -7.567 -12.640) 15.532 11.195 ( -5.402 -1.747 0.060) 5.678 11.331 ( 2.058 -6.394 -4.850) 8.285 11.359 ( 8.431 -5.295 -0.865) 9.994 11.560 ( -6.845 -2.301 0.539) 7.241 11.620 ( 0.636 3.681 -1.620) 4.071 11.850 ( -3.276 -2.276 4.132) 5.743 11.861 ( 4.292 -5.701 1.429) 7.278 12.083 ( 3.639 8.755 -2.708) 9.860 12.175 ( 2.007 3.382 -4.037) 5.636 12.324 ( -5.107 15.651 2.979) 16.731 12.553 ( 0.414 13.573 -2.998) 13.906 12.972 ( 0.656 0.292 2.301) 2.411 13.124 ( -9.101 -0.007 -0.446) 9.112 13.233 ( 0.613 -0.990 -1.985) 2.301 13.425 ( -6.855 -4.683 -7.622) 11.270 13.594 ( -4.238 0.356 -0.781) 4.324 13.688 ( -15.851 3.558 4.461) 16.847 13.811 ( -3.963 4.794 5.857) 8.544 13.830 ( -7.803 -4.642 0.831) 9.117 14.123 ( 1.630 2.763 0.884) 3.327 14.212 ( 8.426 -0.839 2.859) 8.938 14.419 ( -12.220 3.785 -3.011) 13.143 14.686 ( -0.217 -0.037 13.328) 13.330 14.880 ( -0.384 -5.331 -9.391) 10.806 15.100 ( 3.646 6.132 0.252) 7.138 15.258 ( 18.674 3.816 -6.061) 20.000 15.472 ( 14.335 -5.724 4.362) 16.040 15.538 ( 4.031 -0.745 -2.028) 4.573 15.794 ( 4.450 -9.397 -11.944) 15.836 15.937 ( -4.542 -3.818 8.702) 10.532 16.105 ( 2.297 -14.900 8.543) 17.328 16.469 ( 3.875 -4.107 -13.968) 15.066 16.665 ( 6.460 -2.507 -4.820) 8.441 16.848 ( -4.607 5.081 -4.583) 8.249 17.017 ( -4.543 3.305 -2.076) 5.989 17.055 ( 10.803 11.178 5.925) 16.636 17.511 ( 26.922 -2.380 11.205) 29.257 20.028 ( 2.315 2.133 3.119) 4.432 20.078 ( 1.396 1.998 -0.785) 2.560 20.253 ( 2.231 -3.808 4.540) 6.332 20.352 ( 4.703 -1.996 3.014) 5.932 20.508 ( -1.279 1.028 2.170) 2.721 20.604 ( -0.469 2.615 1.144) 2.892 20.722 ( 3.859 -1.407 5.162) 6.597 20.928 ( 0.982 3.348 -1.803) 3.927 20.963 ( 2.527 -1.780 9.208) 9.713 21.108 ( 3.128 3.336 2.350) 5.142 21.250 ( -3.964 -0.462 -1.144) 4.151 21.294 ( -2.706 2.980 -1.773) 4.399 21.406 ( 1.322 -0.182 -0.995) 1.664 21.537 ( -2.962 -1.634 -4.097) 5.313 21.575 ( -0.128 -3.070 -4.734) 5.644 21.710 ( -4.900 1.835 0.853) 5.302 21.925 ( 4.672 3.428 -6.723) 8.876 21.957 ( -1.698 3.294 0.798) 3.791 22.013 ( 3.950 1.336 -0.707) 4.229 22.056 ( 1.535 1.072 -3.668) 4.118 22.187 ( 2.953 -0.523 -0.435) 3.030 22.278 ( -1.038 -2.893 -2.242) 3.805 22.556 ( 4.997 -3.615 -0.659) 6.202 22.617 ( 7.108 -3.847 0.412) 8.093 23.361 ( -3.661 3.852 -1.220) 5.453 23.478 ( 2.959 1.076 0.022) 3.149 23.687 ( 0.003 1.875 9.066) 9.258 23.843 ( -5.371 -0.991 -2.836) 6.154 24.501 ( -11.012 -0.071 3.833) 11.660 24.584 ( -0.718 -0.685 2.357) 2.557 24.684 ( -1.462 1.353 5.099) 5.474 24.776 ( -4.421 -0.401 -0.138) 4.442 24.988 ( -3.941 0.066 0.065) 3.942 25.020 ( 0.026 0.243 -4.834) 4.840 25.128 ( -1.546 0.230 1.642) 2.267 25.178 ( 2.172 -1.757 1.156) 3.023 25.330 ( -4.541 5.259 3.181) 7.641 25.641 ( 0.838 -1.225 0.484) 1.561 25.743 ( 1.653 5.360 -3.026) 6.373 25.859 ( -1.915 0.120 -0.828) 2.090 26.163 ( -3.083 -1.142 1.146) 3.481 26.211 ( -2.354 0.724 -4.774) 5.372 26.255 ( -3.936 3.282 -1.516) 5.344 26.352 ( -0.408 3.579 -2.456) 4.360 26.391 ( -6.555 -0.159 0.073) 6.558 26.426 ( -0.864 -0.436 -6.824) 6.893 26.587 ( 2.938 -0.344 -2.809) 4.079 26.688 ( 6.513 -2.374 4.518) 8.274 26.925 ( 0.295 -3.511 -0.850) 3.624 27.009 ( 0.045 -6.622 0.377) 6.633 27.044 ( -0.545 -1.775 -0.221) 1.870 27.141 ( 3.616 -2.750 0.523) 4.573 27.600 ( -5.998 -0.534 13.746) 15.007 27.718 ( -3.842 -2.733 7.565) 8.914 28.248 ( 2.419 2.034 -11.552) 11.976 28.396 ( 4.455 -1.662 -9.433) 10.563 28.827 ( -9.385 1.222 5.478) 10.935 28.968 ( -6.963 -1.881 14.618) 16.300 29.531 ( 3.577 2.856 -7.022) 8.382 29.714 ( 4.917 -0.990 -9.981) 11.170 ======================= Grid point 72 (36/78) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 1.741 -0.160 13.876) 13.986 1.445 ( 0.776 6.594 -0.469) 6.656 1.721 ( -3.546 -5.963 7.277) 10.054 1.945 ( -7.482 -3.002 -5.919) 10.001 2.113 ( -10.138 -2.048 -6.388) 12.157 2.228 ( -14.384 5.948 -8.243) 17.613 2.436 ( -4.013 -2.114 -6.399) 7.843 2.705 ( -0.796 7.565 0.482) 7.622 2.784 ( -2.647 -2.658 -5.354) 6.538 2.870 ( -6.604 5.945 0.274) 8.890 2.985 ( -3.491 -2.268 6.702) 7.890 3.141 ( -5.400 1.947 0.841) 5.802 3.255 ( -2.902 -2.588 1.722) 4.253 3.329 ( -6.217 -0.871 0.011) 6.278 3.445 ( -9.550 8.886 3.547) 13.519 3.486 ( -2.979 2.509 -1.280) 4.100 3.613 ( -13.693 5.274 0.548) 14.684 3.742 ( 1.309 4.375 -1.829) 4.920 3.847 ( 2.412 2.500 -0.525) 3.513 3.905 ( -0.388 3.473 4.362) 5.589 4.263 ( -2.464 -3.858 3.316) 5.653 4.308 ( -1.461 1.701 -1.660) 2.790 4.392 ( -2.445 -5.328 -1.728) 6.112 4.478 ( 1.929 -0.882 -5.593) 5.982 4.710 ( -20.095 2.377 -6.904) 21.381 5.050 ( -2.370 6.555 5.588) 8.933 5.408 ( -15.400 -12.113 0.541) 19.600 5.729 ( -17.009 -1.613 15.730) 23.223 5.881 ( -3.013 -4.880 8.261) 10.057 5.962 ( -10.777 1.055 -7.548) 13.200 6.076 ( 0.633 9.357 -1.285) 9.466 6.648 ( 14.879 0.967 3.927) 15.418 6.924 ( -9.515 1.826 1.256) 9.770 7.165 ( 7.455 8.138 -3.452) 11.564 7.232 ( -14.252 -10.837 5.817) 18.826 7.424 ( 2.959 -0.708 -9.075) 9.572 7.612 ( -5.339 -6.670 4.149) 9.497 7.725 ( 0.575 -4.766 -1.189) 4.946 7.876 ( -5.093 -0.588 -6.563) 8.328 7.927 ( -15.213 6.330 1.548) 16.550 8.000 ( -0.981 2.043 -6.408) 6.797 8.086 ( 2.715 2.378 16.651) 17.038 8.233 ( -9.482 5.777 -0.275) 11.107 8.488 ( -16.685 6.390 5.212) 18.612 8.765 ( -12.133 -6.389 1.695) 13.816 8.966 ( -1.128 -5.305 10.452) 11.776 9.306 ( 11.421 0.003 -20.942) 23.854 9.398 ( -4.468 2.086 8.185) 9.555 9.792 ( -2.756 -4.387 -2.191) 5.625 9.854 ( -1.613 -3.130 -9.115) 9.772 9.940 ( 9.753 -6.863 0.023) 11.926 10.002 ( 4.205 3.242 -1.814) 5.611 10.206 ( 3.623 -10.713 -4.345) 12.115 10.356 ( -2.146 7.841 1.045) 8.196 10.537 ( 6.950 4.667 0.635) 8.395 10.563 ( -7.869 -10.645 0.644) 13.254 10.726 ( -3.440 -3.706 -6.005) 7.851 10.845 ( 0.271 -3.597 14.763) 15.198 10.993 ( -2.598 -5.659 -6.100) 8.717 11.161 ( -0.903 1.160 3.296) 3.609 11.273 ( -2.472 -2.564 -3.236) 4.812 11.436 ( -2.493 -7.280 -2.795) 8.187 11.500 ( 3.798 2.226 2.658) 5.143 11.626 ( 0.981 3.908 0.513) 4.062 11.804 ( -0.189 2.960 -0.917) 3.105 11.978 ( -1.446 6.903 -1.891) 7.302 12.012 ( -3.535 3.315 2.336) 5.379 12.204 ( 4.924 3.098 2.094) 6.182 12.321 ( 0.623 4.430 0.720) 4.531 12.547 ( 3.898 6.528 -6.769) 10.180 12.946 ( -7.356 0.327 -2.650) 7.825 12.987 ( -5.477 -2.501 4.604) 7.580 13.145 ( -6.790 -4.204 -4.729) 9.281 13.163 ( -10.245 -2.097 -4.877) 11.539 13.386 ( -12.603 -1.721 1.782) 12.844 13.615 ( -0.040 11.280 -3.242) 11.736 13.761 ( -7.498 7.142 6.479) 12.214 13.899 ( 2.407 -2.873 6.450) 7.460 14.107 ( -1.170 9.676 2.212) 9.994 14.222 ( -3.930 -6.205 -3.053) 7.954 14.436 ( 5.940 1.003 5.739) 8.320 14.711 ( -1.610 1.896 -6.115) 6.602 14.854 ( 8.121 -1.311 0.864) 8.271 15.211 ( 5.215 2.669 -1.390) 6.021 15.437 ( 8.834 2.781 -1.355) 9.360 15.535 ( 3.543 -3.500 -5.354) 7.312 15.685 ( 4.599 -4.310 -1.530) 6.486 15.874 ( 4.785 -3.009 1.580) 5.869 15.937 ( -1.169 -2.683 8.050) 8.565 16.268 ( 5.629 -27.871 7.034) 29.291 16.484 ( 15.251 -2.274 -14.339) 21.057 16.665 ( -4.347 4.591 -2.770) 6.903 16.763 ( 2.736 -5.012 -3.405) 6.648 16.856 ( -4.864 1.490 -6.826) 8.513 17.422 ( 20.581 19.890 6.053) 29.254 18.135 ( 31.857 -3.936 9.378) 33.441 20.066 ( 0.475 2.385 0.184) 2.439 20.122 ( 5.134 2.292 -1.578) 5.839 20.333 ( 1.196 -4.191 3.686) 5.708 20.455 ( 4.929 -5.430 -1.727) 7.534 20.542 ( -0.362 5.377 6.788) 8.667 20.621 ( 1.087 1.865 1.973) 2.924 20.813 ( 2.603 -1.151 0.327) 2.865 20.912 ( 0.073 4.728 -2.584) 5.389 20.976 ( -4.716 1.829 -6.248) 8.039 21.135 ( 1.131 -3.206 7.683) 8.401 21.201 ( -5.036 3.405 4.865) 7.786 21.299 ( 1.113 -0.740 -0.156) 1.346 21.468 ( 4.479 0.746 0.918) 4.633 21.479 ( 5.168 -2.821 -0.790) 5.941 21.616 ( 5.517 -0.294 1.813) 5.815 21.697 ( 0.592 2.631 1.107) 2.915 21.917 ( 0.339 5.298 -0.254) 5.315 21.982 ( 4.296 1.232 -7.379) 8.627 22.030 ( 0.886 0.165 0.224) 0.928 22.099 ( 2.809 2.720 0.567) 3.951 22.232 ( 3.261 0.190 -0.149) 3.270 22.282 ( 4.251 2.349 1.082) 4.976 22.624 ( 5.589 -6.527 -3.333) 9.217 22.735 ( 7.840 -6.075 -5.052) 11.131 23.281 ( -4.444 1.784 0.433) 4.808 23.483 ( -1.714 -2.100 -4.471) 5.229 23.702 ( -6.051 2.924 -3.542) 7.596 23.720 ( -5.214 2.580 6.057) 8.399 24.268 ( -19.212 2.680 2.433) 19.550 24.551 ( -5.173 -1.517 1.215) 5.526 24.688 ( -3.601 0.756 -3.063) 4.787 24.717 ( -1.918 0.181 5.367) 5.703 24.881 ( -8.204 -0.281 1.853) 8.415 24.977 ( 1.398 -1.847 -7.893) 8.226 25.104 ( -3.456 0.812 2.539) 4.365 25.194 ( -2.167 -1.677 2.122) 3.466 25.305 ( -3.019 3.754 3.201) 5.783 25.643 ( -1.189 -0.301 -0.144) 1.235 25.735 ( -0.945 0.399 0.053) 1.027 25.823 ( -1.035 1.805 -0.125) 2.085 26.096 ( -3.122 1.521 -3.782) 5.135 26.120 ( -3.705 0.088 0.733) 3.778 26.179 ( -3.100 0.867 -2.793) 4.262 26.267 ( -4.778 -0.540 -1.796) 5.133 26.347 ( 0.344 0.508 1.066) 1.230 26.389 ( 1.362 3.416 -2.544) 4.471 26.615 ( 2.710 -1.680 -2.236) 3.895 26.810 ( -0.408 -4.823 4.083) 6.332 26.933 ( 3.855 -3.647 -2.051) 5.689 27.021 ( 0.727 1.950 -1.386) 2.500 27.036 ( 0.559 -6.270 1.893) 6.574 27.213 ( 2.118 -2.834 1.478) 3.834 27.586 ( -9.140 -1.446 10.604) 14.074 27.674 ( -8.971 -2.817 6.718) 11.556 28.149 ( 1.714 3.132 -15.408) 15.817 28.327 ( 2.995 -2.217 -18.429) 18.802 28.716 ( -12.165 2.613 10.751) 16.445 29.029 ( -6.332 -6.407 20.795) 22.662 29.554 ( 6.138 3.671 -4.796) 8.611 29.747 ( 9.543 1.107 -8.130) 12.585 ======================= Grid point 73 (37/78) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -11.821 6.243 12.477) 18.286 1.405 ( -7.105 5.235 -2.428) 9.153 1.657 ( -15.336 6.218 9.606) 19.134 1.768 ( -5.807 4.119 -10.673) 12.830 1.955 ( -1.182 5.516 2.295) 6.091 2.015 ( 0.150 3.798 -1.872) 4.237 2.295 ( -5.470 3.698 -4.075) 7.759 2.575 ( -19.515 3.843 -3.250) 20.154 2.641 ( -8.400 -2.876 -4.917) 10.149 2.737 ( -13.047 10.582 5.477) 17.669 2.885 ( -19.866 12.654 -5.420) 24.169 2.958 ( -9.358 -6.058 7.442) 13.403 3.080 ( -9.525 0.662 1.330) 9.640 3.277 ( -0.053 -1.791 -0.940) 2.023 3.323 ( -1.711 -1.010 -0.226) 1.999 3.416 ( -6.893 0.920 8.987) 11.364 3.507 ( -0.104 0.613 -2.777) 2.845 3.762 ( 0.516 4.043 -3.260) 5.219 3.874 ( 0.414 5.437 0.282) 5.460 3.967 ( 0.698 5.852 5.504) 8.064 4.104 ( -15.412 1.402 -4.825) 16.210 4.171 ( -7.266 -0.443 -0.156) 7.281 4.409 ( 0.334 -6.207 -4.987) 7.970 4.442 ( -1.143 1.068 -1.828) 2.406 4.492 ( 2.131 -0.843 1.747) 2.882 5.007 ( -6.798 -2.893 -4.752) 8.784 5.188 ( -5.237 0.823 -5.407) 7.572 5.546 ( -16.882 -0.012 16.704) 23.749 5.730 ( -11.860 0.658 3.839) 12.483 5.931 ( -0.129 -10.715 2.199) 10.939 6.139 ( 1.890 5.114 1.335) 5.613 6.613 ( -9.816 0.435 3.020) 10.279 6.892 ( -27.505 -9.977 4.936) 29.672 6.990 ( 2.180 -0.764 1.323) 2.662 7.076 ( -19.678 3.419 -1.484) 20.028 7.378 ( 2.766 0.121 -11.407) 11.738 7.430 ( -14.632 -4.267 -5.163) 16.092 7.573 ( -7.236 0.940 2.293) 7.649 7.669 ( -7.253 3.613 0.147) 8.104 7.779 ( 2.498 6.079 -6.886) 9.520 7.942 ( -2.930 -5.905 3.746) 7.581 8.207 ( 7.977 -4.677 -7.253) 11.752 8.226 ( -4.931 8.502 8.672) 13.108 8.497 ( 1.993 6.358 10.283) 12.252 8.644 ( 0.804 -0.654 7.846) 7.914 9.115 ( 2.401 0.013 -2.467) 3.443 9.302 ( 10.506 -4.623 -18.306) 21.607 9.447 ( -5.139 -0.732 11.977) 13.054 9.646 ( -3.853 -6.054 -12.076) 14.047 9.784 ( 2.268 -4.245 -0.152) 4.816 9.950 ( 2.856 5.070 -1.455) 5.998 10.151 ( -9.547 1.057 -1.955) 9.802 10.242 ( 7.399 -8.352 4.187) 11.918 10.252 ( -2.799 -4.890 2.984) 6.376 10.483 ( 0.757 -9.967 -3.329) 10.535 10.527 ( -2.631 -0.498 -10.482) 10.819 10.754 ( 6.019 0.664 1.954) 6.362 10.841 ( -9.157 -6.827 -1.067) 11.472 10.998 ( 4.052 -0.431 5.638) 6.957 11.177 ( 2.210 -0.173 -4.091) 4.653 11.265 ( 0.649 1.345 1.792) 2.333 11.385 ( -1.001 -3.325 2.351) 4.193 11.628 ( 4.552 3.881 9.460) 11.193 11.724 ( 3.218 6.906 6.345) 9.915 11.752 ( -0.956 2.519 -3.351) 4.300 11.910 ( -1.273 7.185 7.990) 10.821 12.092 ( 6.926 2.340 -3.193) 7.978 12.220 ( -5.797 -2.626 2.467) 6.825 12.378 ( 1.693 2.702 2.510) 4.058 12.492 ( 0.504 0.962 -12.636) 12.682 12.776 ( -8.178 2.110 -4.032) 9.359 12.948 ( -9.731 -7.317 -2.481) 12.426 12.972 ( -7.284 -4.462 2.041) 8.783 13.051 ( 3.870 -8.928 2.359) 10.013 13.273 ( -4.433 8.232 4.923) 10.567 13.554 ( -2.129 10.894 0.579) 11.116 13.721 ( -3.066 2.955 -3.578) 5.562 13.927 ( -2.611 5.516 1.171) 6.214 14.102 ( -4.866 -6.277 -3.948) 8.869 14.145 ( 1.723 9.044 1.095) 9.271 14.507 ( -0.807 -1.467 -0.502) 1.748 14.764 ( 11.047 2.907 -2.568) 11.708 15.041 ( 10.931 -4.491 1.240) 11.883 15.245 ( 2.370 4.197 2.737) 5.544 15.518 ( 2.472 3.403 -4.835) 6.409 15.595 ( 5.940 -4.329 -1.846) 7.578 15.722 ( 3.952 -0.215 0.358) 3.974 15.897 ( -3.048 -1.278 6.773) 7.536 15.959 ( -1.994 -1.395 -2.028) 3.168 16.414 ( 4.381 -28.270 3.858) 28.866 16.527 ( -8.201 2.206 -2.666) 8.901 16.704 ( -4.061 -3.479 -1.383) 5.523 16.716 ( 18.688 -1.404 -2.076) 18.856 16.864 ( 7.801 -4.555 -2.209) 9.300 17.809 ( 19.118 23.349 1.473) 30.213 18.691 ( 24.982 -5.121 2.707) 25.644 20.067 ( 0.166 2.761 -0.168) 2.771 20.213 ( 7.149 0.830 -2.189) 7.522 20.339 ( -4.410 -1.920 2.291) 5.327 20.434 ( -4.095 -4.076 -1.066) 5.875 20.604 ( 3.139 3.786 3.442) 6.003 20.679 ( 2.237 0.413 1.043) 2.503 20.822 ( -1.011 2.879 -4.628) 5.543 20.871 ( -0.428 1.682 2.590) 3.118 20.916 ( 3.393 1.552 -4.718) 6.015 21.173 ( -0.250 6.188 3.725) 7.227 21.228 ( 0.681 -0.747 4.881) 4.985 21.369 ( 4.825 -4.660 2.947) 7.327 21.521 ( 2.191 -4.438 -1.367) 5.135 21.623 ( 8.730 1.832 0.678) 8.946 21.713 ( 0.721 1.576 -0.545) 1.817 21.768 ( 7.437 -0.525 3.396) 8.193 21.937 ( 1.055 2.407 -2.014) 3.311 21.955 ( 0.526 4.356 -1.792) 4.740 22.062 ( 2.920 7.277 1.380) 7.962 22.154 ( 4.039 6.462 -3.271) 8.293 22.310 ( 7.026 -1.676 0.611) 7.249 22.437 ( 9.622 2.988 1.546) 10.193 22.707 ( 7.735 -6.450 -0.928) 10.114 22.766 ( 4.557 -2.616 -7.808) 9.412 23.210 ( -6.355 -0.444 -0.836) 6.425 23.340 ( -3.892 -6.016 -7.273) 10.210 23.561 ( -10.867 1.977 0.157) 11.047 23.663 ( -4.350 4.823 1.797) 6.739 23.923 ( -22.624 3.963 1.185) 22.999 24.444 ( -8.033 -2.298 0.247) 8.359 24.606 ( -2.074 1.281 -3.374) 4.162 24.694 ( -6.457 -2.583 5.079) 8.611 24.781 ( -7.799 -1.268 5.998) 9.921 24.899 ( -0.266 -5.680 -11.955) 13.238 25.071 ( -2.946 1.248 2.620) 4.136 25.156 ( -4.286 -0.653 1.798) 4.693 25.248 ( -5.868 2.899 0.923) 6.610 25.614 ( -1.726 -0.071 -0.155) 1.735 25.704 ( -5.509 -7.304 3.263) 9.713 25.825 ( 1.990 1.860 -1.351) 3.040 26.043 ( -1.425 3.046 0.215) 3.369 26.079 ( -3.449 0.414 0.527) 3.514 26.088 ( -1.823 1.399 -2.409) 3.329 26.212 ( -1.853 0.315 0.675) 1.997 26.397 ( 3.781 -2.049 2.689) 5.073 26.424 ( 4.747 4.089 -0.782) 6.313 26.615 ( -1.026 -3.812 -2.244) 4.541 26.796 ( -0.682 0.696 2.190) 2.397 26.937 ( -4.564 -1.871 0.638) 4.974 27.035 ( 2.093 -2.848 -3.215) 4.779 27.073 ( 1.899 -3.360 0.115) 3.861 27.210 ( -3.742 -1.111 0.514) 3.937 27.499 ( -10.654 -1.516 5.549) 12.107 27.589 ( -6.848 -7.103 6.437) 11.781 28.026 ( 2.756 4.451 -18.754) 19.471 28.149 ( 2.364 -0.574 -25.722) 25.836 28.643 ( -11.542 4.166 16.353) 20.445 29.140 ( -7.975 -14.312 26.836) 31.442 29.637 ( 7.681 4.479 -3.529) 9.567 29.887 ( 13.675 3.480 -3.582) 14.558 ======================= Grid point 74 (38/78) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -13.489 22.742 19.688) 32.966 1.130 ( -21.076 20.823 5.391) 30.115 1.515 ( -8.139 3.186 -4.142) 9.672 1.638 ( -7.987 5.411 15.460) 18.223 1.849 ( -24.961 10.086 7.271) 27.886 2.043 ( 0.154 11.028 5.133) 12.165 2.130 ( -13.666 22.085 8.299) 27.265 2.247 ( 1.791 0.498 1.997) 2.728 2.450 ( -5.200 -3.767 -6.829) 9.374 2.631 ( -3.356 10.772 -0.359) 11.288 2.719 ( -2.602 2.586 0.558) 3.711 2.881 ( -5.655 -6.371 5.015) 9.885 2.968 ( -5.771 0.403 -2.512) 6.307 3.149 ( -7.388 1.399 -5.624) 9.390 3.304 ( -0.808 -4.566 2.187) 5.127 3.490 ( 2.087 1.023 2.201) 3.201 3.524 ( 0.022 -3.222 7.805) 8.444 3.648 ( -5.699 -3.903 -4.985) 8.518 3.772 ( -5.602 -0.307 -1.051) 5.708 3.961 ( -0.608 9.814 -1.194) 9.905 3.993 ( -1.910 3.439 -1.854) 4.349 4.145 ( 1.834 9.733 3.207) 10.410 4.247 ( -7.155 -7.518 -7.515) 12.814 4.505 ( 2.571 -2.369 1.422) 3.774 4.565 ( 2.103 -0.845 4.952) 5.446 4.781 ( -6.681 -2.558 -8.703) 11.266 5.087 ( -0.602 5.668 -7.385) 9.329 5.519 ( -4.388 -3.126 8.485) 10.051 5.727 ( -4.117 -2.760 26.284) 26.747 5.883 ( -3.077 -8.527 -5.564) 10.636 6.061 ( -8.858 -3.052 -4.598) 10.436 6.456 ( -23.009 -9.847 3.005) 25.207 6.581 ( -6.550 8.978 4.956) 12.169 6.664 ( -16.271 0.205 1.250) 16.320 6.849 ( -16.167 -1.279 -1.096) 16.255 7.206 ( -1.276 -2.439 -0.057) 2.754 7.367 ( 5.164 -1.725 -4.581) 7.116 7.570 ( 0.036 6.312 3.632) 7.282 7.684 ( 3.318 3.500 0.057) 4.823 7.836 ( 6.471 7.556 -1.665) 10.087 7.952 ( -2.365 -7.481 7.541) 10.882 8.200 ( 9.255 -8.223 -15.588) 19.906 8.335 ( -0.788 4.704 5.123) 6.999 8.510 ( 0.188 -5.009 1.279) 5.174 8.875 ( 10.976 3.993 8.433) 14.406 9.026 ( -0.454 7.694 -11.646) 13.966 9.275 ( 1.297 -9.243 -10.670) 14.176 9.398 ( -6.468 0.294 -2.958) 7.118 9.501 ( -2.586 2.668 -1.324) 3.944 9.732 ( -10.816 -0.941 -1.759) 10.999 9.976 ( 0.423 3.048 -10.229) 10.682 10.023 ( 4.387 1.409 -1.212) 4.764 10.299 ( 2.861 -4.821 3.492) 6.604 10.328 ( -3.552 -10.205 -0.859) 10.840 10.369 ( -2.030 -6.047 -5.213) 8.238 10.519 ( 5.396 -4.939 -2.973) 7.896 10.708 ( -4.388 -1.966 -0.430) 4.827 10.887 ( 6.147 -7.185 6.708) 11.593 11.034 ( -1.244 -3.337 -3.507) 4.999 11.227 ( 4.032 -0.792 -5.961) 7.240 11.277 ( 0.749 -3.154 5.921) 6.750 11.378 ( -0.224 0.858 -1.700) 1.917 11.630 ( -6.177 6.233 2.414) 9.102 11.854 ( 2.034 -0.087 9.070) 9.296 11.905 ( -1.942 3.235 4.611) 5.958 11.978 ( 2.705 2.170 7.777) 8.515 12.142 ( 2.128 5.888 8.925) 10.903 12.214 ( 5.366 -1.621 3.123) 6.417 12.284 ( -1.612 6.445 -10.137) 12.120 12.482 ( 1.519 -0.163 -0.605) 1.644 12.603 ( -10.426 -2.464 -9.373) 14.235 12.726 ( -7.558 -13.542 0.893) 15.534 12.855 ( -5.765 1.316 2.848) 6.564 13.230 ( 6.268 -6.264 4.287) 9.844 13.302 ( 1.885 12.400 0.400) 12.549 13.533 ( -3.039 3.901 -0.018) 4.946 13.597 ( -4.533 5.214 2.214) 7.255 13.898 ( -0.629 8.700 -0.332) 8.729 14.015 ( -1.284 -5.424 -3.401) 6.530 14.149 ( -0.260 7.771 -2.363) 8.126 14.461 ( 0.073 -0.316 -7.819) 7.826 14.898 ( 9.588 4.267 -9.545) 14.186 15.154 ( 5.186 -1.116 1.131) 5.424 15.426 ( 0.947 -2.716 9.327) 9.761 15.511 ( 10.226 3.786 -2.562) 11.201 15.681 ( 2.336 -4.814 4.006) 6.684 15.798 ( -0.104 -0.065 2.898) 2.900 15.901 ( -2.125 -0.008 -1.012) 2.354 15.918 ( -1.381 -3.434 5.960) 7.015 16.316 ( -6.772 4.993 -4.206) 9.406 16.511 ( -1.730 -10.461 -0.943) 10.645 16.612 ( -1.315 -24.028 -2.263) 24.171 16.988 ( 5.814 -0.652 2.593) 6.400 17.042 ( 11.770 -1.951 12.947) 17.606 18.049 ( 11.012 24.910 -7.121) 28.151 18.992 ( 11.393 -5.630 -5.245) 13.748 20.080 ( 1.061 3.237 0.733) 3.484 20.232 ( -6.836 0.640 3.948) 7.921 20.307 ( 3.915 -2.077 -0.675) 4.483 20.419 ( 1.108 -5.693 0.366) 5.811 20.667 ( 2.028 4.301 -2.337) 5.298 20.700 ( -1.020 3.436 3.095) 4.736 20.781 ( -0.308 2.467 -0.698) 2.583 20.885 ( 2.209 0.900 -2.311) 3.322 20.969 ( 3.774 -0.817 0.034) 3.862 21.187 ( -3.080 0.732 -0.647) 3.232 21.324 ( 9.692 10.265 -3.923) 14.653 21.440 ( 0.941 -7.674 -0.332) 7.739 21.533 ( 3.734 -3.124 -3.722) 6.128 21.715 ( 0.919 0.230 -0.775) 1.224 21.745 ( 4.500 -1.629 -1.439) 4.998 21.871 ( -0.303 0.687 1.398) 1.586 21.922 ( 3.070 3.461 -3.608) 5.867 21.996 ( 4.640 7.248 -2.636) 9.000 22.092 ( 1.917 4.898 -7.202) 8.918 22.226 ( 11.499 18.782 -6.387) 22.930 22.447 ( 7.917 -2.677 -2.209) 8.644 22.567 ( 6.295 2.259 -3.245) 7.433 22.805 ( 6.667 1.067 3.823) 7.759 22.924 ( 10.792 -0.944 7.381) 13.108 23.069 ( -2.498 0.144 -1.486) 2.910 23.241 ( -7.488 -4.512 -1.339) 8.844 23.376 ( -6.048 -1.394 -1.610) 6.412 23.541 ( -22.543 -1.073 3.744) 22.877 23.615 ( -4.550 3.688 0.566) 5.884 24.271 ( -13.382 -8.150 0.131) 15.669 24.565 ( -3.980 -1.353 3.284) 5.334 24.581 ( -11.354 -5.422 3.239) 12.992 24.699 ( -5.258 -1.791 0.911) 5.629 24.812 ( 0.915 -5.016 3.605) 6.245 25.061 ( -0.847 0.982 2.025) 2.405 25.089 ( -4.004 0.610 -0.688) 4.108 25.160 ( -4.838 3.402 1.305) 6.057 25.573 ( -1.012 0.069 -3.743) 3.878 25.593 ( -12.781 -13.846 7.597) 20.317 25.857 ( 2.723 -1.065 -1.294) 3.197 26.001 ( -2.016 6.344 0.690) 6.693 26.061 ( -1.292 3.134 2.143) 4.010 26.100 ( 2.988 2.867 0.994) 4.259 26.199 ( -2.327 -0.946 4.219) 4.910 26.496 ( 4.581 1.608 3.010) 5.713 26.540 ( 1.609 -0.377 -2.788) 3.241 26.568 ( 7.748 -2.460 -2.604) 8.536 26.818 ( -6.645 -3.500 -0.331) 7.518 26.863 ( 2.002 1.271 3.316) 4.077 27.001 ( -3.547 -2.147 -3.202) 5.239 27.053 ( -3.655 -1.642 -1.876) 4.424 27.117 ( -4.020 1.833 -2.200) 4.936 27.365 ( -8.542 -1.247 2.099) 8.884 27.529 ( -3.507 -9.977 -6.387) 12.354 27.814 ( 0.346 9.736 -21.505) 23.609 28.043 ( 7.052 2.415 -13.766) 15.655 28.639 ( -9.129 5.272 18.927) 21.665 29.264 ( -10.208 -23.172 29.762) 39.076 29.724 ( 5.506 4.577 -2.765) 7.675 30.116 ( 13.762 -1.149 -2.040) 13.960 ======================= Grid point 75 (39/78) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -3.031 14.806 -5.088) 15.947 1.403 ( -1.761 10.370 0.866) 10.554 1.683 ( -3.628 14.236 8.464) 16.954 1.741 ( 3.582 1.628 1.618) 4.255 1.983 ( 0.868 -9.480 4.150) 10.385 2.033 ( -2.241 -8.439 -3.824) 9.532 2.269 ( 5.028 6.570 9.549) 12.635 2.441 ( -2.950 0.964 -0.772) 3.198 2.476 ( -5.721 12.040 12.384) 18.195 2.613 ( -2.648 -5.257 15.361) 16.450 2.801 ( 2.439 4.898 -3.723) 6.618 2.862 ( 2.104 3.176 3.040) 4.874 2.990 ( -3.443 4.569 -0.258) 5.727 3.050 ( -1.653 -2.731 -2.920) 4.326 3.227 ( 0.488 5.668 -2.976) 6.421 3.354 ( 3.518 -7.527 4.647) 9.520 3.560 ( -0.378 -0.830 10.632) 10.671 3.598 ( -0.007 0.386 2.392) 2.423 3.811 ( 2.059 0.941 6.638) 7.014 3.869 ( -0.805 -4.258 0.780) 4.403 4.086 ( 2.909 5.119 -2.795) 6.518 4.147 ( 1.900 0.210 1.091) 2.201 4.330 ( -4.124 4.810 -1.518) 6.515 4.435 ( -3.792 -5.190 -2.452) 6.879 4.627 ( 0.248 7.343 2.976) 7.927 4.752 ( 6.259 -3.562 1.808) 7.425 5.145 ( 2.281 7.570 -10.991) 13.539 5.349 ( 0.875 -10.810 -8.871) 14.011 5.678 ( -9.352 3.758 15.892) 18.818 5.803 ( -3.356 -5.803 23.064) 24.018 5.996 ( 2.316 1.062 4.823) 5.454 6.072 ( -2.681 -6.284 0.987) 6.903 6.430 ( -0.841 2.766 -1.513) 3.263 6.525 ( -0.683 -6.300 0.531) 6.359 7.114 ( 2.141 17.877 6.130) 19.019 7.244 ( -1.274 7.456 1.458) 7.703 7.307 ( 4.705 -7.897 5.054) 10.490 7.618 ( -1.940 -15.665 0.025) 15.785 7.798 ( 4.048 5.797 -5.152) 8.748 7.868 ( -2.549 5.350 -3.304) 6.785 7.998 ( 9.285 -4.326 -1.182) 10.311 8.086 ( 6.476 0.239 -2.037) 6.793 8.356 ( -4.191 2.085 -0.347) 4.694 8.427 ( 2.228 -5.444 -4.923) 7.671 8.803 ( -13.567 -0.988 -9.265) 16.458 8.922 ( -10.380 -8.677 -10.947) 17.403 9.224 ( 4.942 3.507 -2.861) 6.702 9.290 ( 4.459 -1.391 -5.001) 6.843 9.630 ( 1.409 9.644 0.150) 9.748 9.783 ( 8.095 4.651 -5.473) 10.822 9.882 ( -6.644 -1.137 -2.910) 7.342 9.972 ( -2.880 2.128 -12.281) 12.793 10.057 ( -2.679 -0.854 -9.475) 9.884 10.220 ( 4.908 -9.713 -9.318) 14.326 10.339 ( 3.271 -1.246 -3.841) 5.196 10.437 ( 3.369 -8.000 -1.276) 8.774 10.687 ( 0.432 5.416 2.743) 6.086 10.793 ( -2.984 -2.837 3.857) 5.641 11.052 ( -1.982 -0.814 2.097) 2.998 11.105 ( -0.538 -6.349 1.489) 6.543 11.204 ( 3.097 3.850 6.532) 8.190 11.349 ( 6.380 -9.891 8.814) 14.704 11.806 ( -2.546 10.878 -0.368) 11.178 11.842 ( -6.260 7.963 -6.273) 11.914 11.923 ( -5.181 -2.042 -8.592) 10.239 12.024 ( -8.977 -1.903 11.683) 14.856 12.126 ( -0.696 -0.767 5.579) 5.674 12.191 ( -1.528 -5.560 1.429) 5.940 12.347 ( -0.500 0.495 -0.997) 1.220 12.420 ( 4.214 -5.728 -7.884) 10.617 12.588 ( 6.000 1.841 1.776) 6.522 12.625 ( 3.483 -3.364 7.391) 8.836 13.070 ( 4.769 9.802 15.178) 18.687 13.229 ( 1.243 -5.527 13.487) 14.629 13.479 ( -3.158 7.660 -8.616) 11.954 13.585 ( -3.718 0.242 -4.648) 5.957 13.751 ( 0.927 5.702 0.853) 5.839 13.817 ( 2.344 -3.379 -1.466) 4.366 13.999 ( 0.637 7.423 -1.389) 7.579 14.232 ( -1.726 -9.846 -6.644) 12.003 14.606 ( 2.255 30.277 -2.091) 30.433 15.035 ( 4.406 3.792 -10.521) 12.020 15.264 ( 3.904 -6.605 1.805) 7.882 15.380 ( -2.461 -0.609 6.008) 6.521 15.470 ( 0.065 -10.473 1.479) 10.577 15.528 ( 1.014 -19.313 -5.730) 20.171 15.754 ( -3.113 5.488 2.190) 6.679 15.835 ( -2.392 -1.823 0.850) 3.126 15.908 ( -4.299 2.551 2.096) 5.421 16.063 ( -6.329 -14.465 -1.087) 15.827 16.412 ( 3.867 4.079 -0.384) 5.634 16.463 ( 4.707 -0.938 -0.819) 4.869 17.190 ( 1.468 5.136 15.722) 16.605 17.286 ( 2.102 -4.020 21.789) 22.256 18.471 ( -1.911 19.069 -15.342) 24.549 18.787 ( -2.577 -12.274 -14.960) 19.521 20.200 ( 2.012 3.977 3.839) 5.882 20.223 ( -2.281 1.532 5.035) 5.736 20.294 ( 0.973 -2.627 3.291) 4.321 20.322 ( 2.040 -5.208 1.815) 5.881 20.739 ( -0.671 3.221 -4.273) 5.392 20.780 ( -2.956 0.171 -2.832) 4.098 20.800 ( -0.085 6.114 -3.624) 7.108 20.899 ( 1.880 -2.465 -3.866) 4.955 21.008 ( -0.458 0.807 2.356) 2.532 21.065 ( -4.325 -3.397 -0.973) 5.585 21.311 ( -0.515 0.218 -3.640) 3.683 21.332 ( -0.589 -1.624 -1.799) 2.494 21.635 ( 0.516 2.551 -2.538) 3.635 21.700 ( 0.683 -3.432 -2.191) 4.129 21.753 ( 1.156 1.574 -1.804) 2.659 21.795 ( -0.726 -1.898 -3.085) 3.694 21.977 ( -0.209 3.444 2.114) 4.046 22.060 ( 0.235 -3.992 0.348) 4.014 22.224 ( 0.818 11.785 -11.831) 16.719 22.389 ( 2.722 -4.235 -12.227) 13.223 22.603 ( -0.409 6.518 -3.904) 7.609 22.637 ( 1.069 3.078 -6.712) 7.461 22.849 ( -8.864 0.116 -1.873) 9.061 22.958 ( -6.021 -7.203 -1.396) 9.491 23.231 ( 0.568 2.779 1.205) 3.082 23.265 ( -1.308 -0.121 1.675) 2.128 23.299 ( 16.119 0.729 1.334) 16.190 23.358 ( 12.309 -2.785 -0.181) 12.621 23.642 ( -3.732 7.611 15.623) 17.774 23.852 ( -4.757 -12.932 19.613) 23.970 24.517 ( -2.726 3.960 2.751) 5.539 24.584 ( -1.694 -2.147 0.026) 2.735 24.701 ( 3.217 3.302 7.055) 8.428 24.806 ( 5.365 -7.087 9.032) 12.672 25.059 ( -0.894 1.384 0.348) 1.684 25.084 ( -0.013 -0.898 1.355) 1.626 25.192 ( -3.055 4.562 1.221) 5.625 25.298 ( -5.642 -5.994 3.238) 8.845 25.585 ( 0.408 5.890 -5.994) 8.414 25.739 ( 0.433 -8.604 -3.324) 9.234 26.142 ( -0.780 3.871 2.970) 4.942 26.173 ( -2.059 -0.037 3.011) 3.648 26.217 ( 0.412 6.852 2.350) 7.256 26.313 ( 1.578 10.703 0.212) 10.821 26.390 ( -0.394 -5.422 0.005) 5.437 26.567 ( -2.767 -6.446 -2.099) 7.322 26.629 ( 6.926 -0.639 -1.238) 7.065 26.682 ( 2.237 -2.304 -2.249) 3.921 26.884 ( -3.002 2.341 0.242) 3.815 26.937 ( -1.305 -0.510 -0.182) 1.413 26.962 ( -0.621 4.382 -2.481) 5.074 27.118 ( 1.906 -5.607 -4.395) 7.375 27.232 ( -3.065 -1.598 0.346) 3.474 27.263 ( -1.519 -4.540 -0.681) 4.835 27.926 ( 9.784 6.912 -16.274) 20.207 28.029 ( 9.094 -3.458 -14.971) 17.854 28.828 ( -9.036 8.096 22.399) 25.474 29.016 ( -10.798 -11.055 25.930) 30.185 29.881 ( 1.872 8.310 -5.445) 10.109 30.057 ( 2.154 -8.326 -6.337) 10.682 ======================= Grid point 76 (40/78) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -9.264 12.403 -3.543) 15.881 1.384 ( -4.887 -5.780 -5.097) 9.125 1.722 ( 3.079 6.976 3.281) 8.301 1.871 ( 5.810 -3.424 3.909) 7.795 2.070 ( 14.123 5.992 2.518) 15.547 2.113 ( -0.817 1.830 4.217) 4.669 2.302 ( 0.232 -0.258 -4.324) 4.338 2.447 ( 7.463 -6.851 2.744) 10.496 2.663 ( 7.661 5.226 11.688) 14.920 2.742 ( 3.950 -1.833 8.854) 9.867 2.868 ( 5.412 9.158 2.111) 10.845 2.969 ( 2.892 3.182 3.102) 5.302 3.015 ( 6.145 -2.796 3.742) 7.719 3.038 ( 2.228 -6.108 -0.390) 6.513 3.286 ( 8.554 13.186 -3.069) 16.014 3.438 ( 6.104 -3.911 -2.502) 7.669 3.631 ( -1.698 2.238 8.243) 8.709 3.683 ( 1.709 -1.475 6.146) 6.548 3.901 ( 3.685 3.472 1.875) 5.399 3.977 ( 3.324 -2.852 3.770) 5.779 4.143 ( -0.376 4.078 -0.088) 4.097 4.212 ( 5.534 0.494 3.179) 6.401 4.247 ( 4.728 1.205 -1.080) 4.997 4.299 ( -4.841 -5.567 -5.218) 9.036 4.705 ( 2.311 9.935 7.947) 12.931 4.873 ( 4.625 -4.784 2.058) 6.965 5.051 ( 0.363 8.153 -12.277) 14.742 5.234 ( 1.405 -10.115 -17.667) 20.407 5.766 ( 0.319 10.644 20.122) 22.766 5.998 ( 1.411 -10.692 21.238) 23.820 6.206 ( 11.902 -0.791 6.915) 13.787 6.234 ( 13.110 -3.303 12.822) 18.633 6.612 ( 20.594 3.961 2.169) 21.084 6.701 ( 19.960 -3.953 0.302) 20.350 7.136 ( -5.298 17.459 4.115) 18.703 7.263 ( 0.505 -0.292 1.719) 1.815 7.469 ( 7.731 -3.419 5.232) 9.942 7.586 ( -0.791 -7.708 -2.185) 8.051 7.663 ( -2.993 4.580 -23.863) 24.482 7.714 ( -4.885 -0.650 -13.261) 14.147 8.113 ( -0.437 5.436 -4.348) 6.974 8.233 ( 1.173 2.599 6.125) 6.756 8.277 ( -9.045 -1.130 5.283) 10.535 8.400 ( -1.995 -0.843 -4.181) 4.708 8.459 ( -4.659 -8.315 -0.442) 9.542 8.619 ( -8.108 -10.143 -12.343) 17.916 9.267 ( 5.460 0.283 -5.789) 7.963 9.306 ( 6.457 -1.961 -10.333) 12.341 9.664 ( 1.456 0.333 2.353) 2.787 9.756 ( -5.041 -3.528 -0.979) 6.231 9.844 ( 8.579 8.450 -7.848) 14.373 9.916 ( 5.118 6.801 -5.088) 9.916 10.001 ( 3.089 -1.372 -4.328) 5.492 10.114 ( 5.219 -10.963 -10.349) 15.953 10.435 ( 1.694 -6.157 -6.987) 9.465 10.466 ( 1.659 -7.981 -3.721) 8.960 10.699 ( -1.694 5.688 5.271) 7.937 10.786 ( -1.272 -1.769 2.306) 3.172 11.060 ( 3.489 4.433 8.364) 10.089 11.194 ( 6.572 -6.511 5.660) 10.845 11.373 ( -0.621 1.780 6.147) 6.430 11.388 ( -10.070 1.050 -0.355) 10.130 11.653 ( -6.958 8.317 -3.024) 11.257 11.723 ( -4.900 2.379 -2.914) 6.178 11.772 ( 2.523 -0.097 -1.397) 2.886 11.983 ( -6.923 -10.491 -0.858) 12.598 12.182 ( 2.184 4.682 6.145) 8.028 12.300 ( 3.330 -5.991 9.228) 11.495 12.350 ( 1.974 3.944 2.420) 5.031 12.470 ( 6.338 -7.998 -0.271) 10.208 12.702 ( 5.883 0.412 0.737) 5.943 12.730 ( 4.968 -2.586 -0.398) 5.615 13.219 ( -9.840 10.025 5.753) 15.179 13.293 ( 0.401 2.782 12.399) 12.714 13.418 ( 0.580 3.799 1.537) 4.139 13.487 ( 2.023 -2.119 -7.398) 7.957 13.766 ( 1.193 3.592 -3.616) 5.234 13.842 ( 1.867 -2.507 -2.646) 4.096 13.993 ( 0.679 5.821 -2.555) 6.393 14.160 ( 0.868 -6.179 -5.675) 8.434 14.633 ( 1.719 29.966 -0.123) 30.016 14.895 ( -5.058 13.956 -13.039) 19.758 15.290 ( -6.912 -16.756 6.696) 19.323 15.376 ( -0.925 -14.256 -0.253) 14.288 15.497 ( 2.586 -1.678 0.467) 3.118 15.554 ( 2.581 -11.201 0.118) 11.495 15.729 ( -1.000 2.052 1.855) 2.942 15.786 ( -4.621 -2.657 1.823) 5.633 15.853 ( -3.327 -1.725 1.723) 4.125 15.903 ( -8.985 -10.553 -0.720) 13.879 16.505 ( 6.510 3.110 -1.294) 7.330 16.551 ( 5.611 -1.098 -2.043) 6.071 17.319 ( -7.428 8.486 21.270) 24.075 17.477 ( -8.550 -6.834 28.676) 30.694 18.165 ( -12.598 17.533 -20.742) 29.939 18.454 ( -14.589 -11.107 -22.597) 29.100 20.227 ( -2.235 2.810 4.312) 5.611 20.271 ( -0.150 -0.868 2.373) 2.531 20.369 ( 5.905 2.318 2.494) 6.816 20.426 ( 3.433 -2.680 5.003) 6.633 20.596 ( -6.480 3.767 -5.253) 9.153 20.682 ( -3.540 -4.067 -4.984) 7.342 20.744 ( -2.555 5.350 -2.906) 6.603 20.863 ( -2.028 -5.746 -3.877) 7.222 21.031 ( 1.128 2.582 4.303) 5.144 21.074 ( 1.680 -1.013 4.720) 5.111 21.228 ( -2.504 4.259 -5.593) 7.463 21.300 ( -0.244 -3.107 -4.152) 5.191 21.590 ( -2.532 2.267 -1.937) 3.912 21.629 ( -4.039 -0.904 -3.028) 5.129 21.746 ( -0.919 2.785 -1.145) 3.149 21.798 ( 0.133 -1.646 1.182) 2.030 21.985 ( -0.814 2.212 1.297) 2.690 22.033 ( -2.445 -2.480 0.234) 3.490 22.129 ( -0.846 9.219 -6.522) 11.325 22.281 ( -1.964 -4.065 -9.031) 10.096 22.470 ( -9.249 5.150 -2.105) 10.794 22.601 ( 0.650 3.561 -4.505) 5.780 22.669 ( -13.281 -3.852 5.138) 14.751 22.828 ( -7.108 -8.590 -0.327) 11.154 23.292 ( 4.599 1.523 -1.192) 4.989 23.322 ( 5.487 -1.294 -1.997) 5.980 23.459 ( 8.461 3.095 1.331) 9.107 23.529 ( 8.025 -3.025 2.060) 8.820 23.902 ( 12.147 8.350 8.827) 17.182 24.066 ( 10.649 -7.070 3.131) 13.160 24.539 ( 1.754 1.167 2.812) 3.514 24.576 ( 0.597 -2.135 0.406) 2.254 24.861 ( 5.600 5.595 7.947) 11.217 24.944 ( 2.368 -0.205 -0.233) 2.388 25.094 ( 1.256 0.369 2.482) 2.806 25.138 ( 3.677 -0.626 -1.193) 3.916 25.210 ( 4.601 -6.952 10.714) 13.575 25.243 ( -3.569 -4.440 1.523) 5.897 25.545 ( 2.703 6.806 -6.473) 9.773 25.721 ( 2.080 -9.732 -3.700) 10.618 26.148 ( -2.022 3.867 1.789) 4.716 26.158 ( -0.878 2.216 2.474) 3.436 26.245 ( -0.198 3.911 2.943) 4.898 26.324 ( -0.870 1.444 -0.665) 1.812 26.401 ( 1.043 4.255 3.586) 5.662 26.559 ( 1.468 -5.524 2.293) 6.159 26.652 ( 0.384 1.758 -5.422) 5.713 26.689 ( 0.744 0.365 -2.592) 2.722 26.834 ( -0.951 0.390 -2.893) 3.070 26.908 ( -2.045 -3.690 0.923) 4.319 26.998 ( 5.240 4.121 -2.010) 6.963 27.147 ( 6.822 -7.786 -1.366) 10.441 27.219 ( 0.074 0.125 -0.913) 0.925 27.250 ( 0.460 -4.652 -1.340) 4.863 27.972 ( 12.109 5.473 -13.584) 19.003 28.061 ( 10.667 -3.467 -13.397) 17.472 28.893 ( -8.246 7.611 21.259) 24.039 29.068 ( -10.570 -9.824 22.129) 26.419 29.821 ( -1.923 8.484 -5.802) 10.456 29.989 ( -2.531 -7.229 -5.360) 9.348 ======================= Grid point 77 (41/78) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -8.783 7.091 -0.325) 11.293 1.245 ( -3.916 -14.418 -1.149) 14.984 1.818 ( 1.548 8.804 4.916) 10.201 1.970 ( 0.717 -3.520 3.470) 4.994 2.142 ( 4.900 1.885 0.021) 5.250 2.241 ( 5.889 -9.095 -6.495) 12.633 2.435 ( 13.365 10.697 5.791) 18.071 2.613 ( 6.464 -5.626 1.057) 8.634 2.843 ( 4.856 2.530 3.429) 6.461 2.845 ( 3.259 2.025 -2.314) 4.481 2.991 ( 3.100 4.339 4.743) 7.136 3.021 ( 2.192 -1.383 -0.490) 2.638 3.099 ( 8.073 4.997 3.071) 9.979 3.236 ( 7.502 -5.078 7.177) 11.558 3.394 ( 8.458 8.055 -5.361) 12.851 3.526 ( 7.831 -4.952 -4.186) 10.167 3.679 ( -1.648 4.904 5.564) 7.597 3.755 ( 2.383 -0.940 3.180) 4.084 3.916 ( -0.905 6.219 -4.081) 7.494 3.979 ( -0.195 5.731 -0.046) 5.735 4.099 ( -2.853 -7.433 -2.778) 8.432 4.145 ( -1.070 -7.165 -0.717) 7.280 4.415 ( 5.553 2.915 2.748) 6.848 4.445 ( 8.053 -0.350 3.008) 8.604 4.836 ( 3.666 9.912 -0.708) 10.592 4.957 ( 5.725 0.181 6.196) 8.438 5.035 ( 9.940 2.742 -2.274) 10.559 5.122 ( 5.506 -7.212 -13.627) 16.372 6.002 ( -0.371 11.217 25.049) 27.449 6.241 ( 0.364 -11.412 23.534) 26.157 6.504 ( 10.668 3.717 9.403) 14.698 6.601 ( 14.867 -4.419 7.440) 17.202 6.967 ( -3.385 15.654 -11.358) 19.634 7.020 ( 14.439 3.935 -3.997) 15.490 7.102 ( 7.667 -2.167 4.936) 9.372 7.213 ( -4.512 -4.044 -12.188) 13.611 7.414 ( 6.375 1.258 -10.124) 12.030 7.440 ( 2.880 -4.295 -20.781) 21.415 7.555 ( 6.356 4.371 -9.039) 11.883 7.732 ( 11.043 -7.910 3.000) 13.910 7.820 ( -9.694 11.054 -12.427) 19.251 8.125 ( -7.054 -11.567 -9.461) 16.525 8.189 ( -0.158 1.972 -0.282) 1.998 8.292 ( -1.620 -11.384 2.748) 11.822 8.673 ( 6.419 3.272 20.706) 21.924 8.733 ( 7.578 -1.918 22.444) 23.766 9.291 ( 8.599 0.799 -14.500) 16.877 9.331 ( 10.667 -1.873 -15.238) 18.694 9.673 ( -2.493 -0.223 1.777) 3.069 9.759 ( 3.299 -7.290 2.554) 8.399 9.931 ( 3.398 7.882 2.408) 8.914 10.018 ( 12.690 -0.433 -4.017) 13.317 10.058 ( 8.468 3.918 -4.274) 10.263 10.230 ( 8.376 -9.648 0.276) 12.779 10.320 ( -1.421 -1.020 -3.257) 3.697 10.449 ( 2.580 -11.965 -3.709) 12.790 10.725 ( -0.419 4.681 1.855) 5.052 10.786 ( 0.144 -0.064 -0.516) 0.540 11.093 ( -13.312 3.015 -6.522) 15.127 11.135 ( -8.628 -0.825 -4.179) 9.622 11.345 ( 5.968 1.865 5.312) 8.205 11.403 ( 6.549 -3.573 1.901) 7.699 11.569 ( -8.269 8.975 7.702) 14.431 11.699 ( -3.472 -2.127 5.142) 6.559 11.844 ( 0.180 -1.765 2.168) 2.801 11.876 ( 0.175 -6.234 1.663) 6.455 12.260 ( -0.702 5.253 2.693) 5.945 12.321 ( -1.402 -0.167 -1.877) 2.348 12.463 ( 4.515 6.427 6.936) 10.478 12.644 ( 11.359 -6.090 -0.946) 12.923 12.789 ( 4.553 -3.447 -1.787) 5.984 12.811 ( 7.660 -5.223 -4.185) 10.172 13.121 ( -3.052 11.354 2.528) 12.025 13.297 ( -5.330 -5.629 6.108) 9.869 13.498 ( 3.709 4.551 3.520) 6.845 13.552 ( 7.012 1.909 -2.427) 7.662 13.724 ( -1.658 3.968 -3.260) 5.396 13.808 ( -2.332 2.921 -1.301) 3.957 13.976 ( 2.190 1.204 -4.769) 5.384 14.138 ( 0.879 -7.911 -3.847) 8.840 14.643 ( -0.982 24.509 -0.743) 24.540 14.710 ( -2.538 19.684 -6.210) 20.796 15.203 ( -9.384 -12.721 5.628) 16.780 15.336 ( -1.579 -16.039 -4.870) 16.837 15.505 ( -3.459 -1.592 0.533) 3.845 15.543 ( -2.808 -11.448 -0.545) 11.800 15.681 ( -5.773 0.538 -2.254) 6.221 15.742 ( -7.487 -9.453 -0.187) 12.060 15.818 ( -0.718 0.213 9.716) 9.745 15.883 ( 3.753 -4.492 4.743) 7.534 16.588 ( 5.364 1.964 -3.019) 6.461 16.614 ( 5.177 -0.110 -2.344) 5.684 17.354 ( -12.782 10.095 21.716) 27.145 17.542 ( -16.412 -7.725 27.522) 32.962 17.689 ( -17.572 12.429 -20.988) 30.062 17.901 ( -21.232 -8.266 -25.816) 34.432 20.207 ( -4.008 2.615 1.579) 5.040 20.239 ( -3.384 -0.337 -1.702) 3.803 20.422 ( -6.753 6.262 2.690) 9.594 20.478 ( 0.902 3.099 -1.576) 3.592 20.499 ( -2.256 -2.056 1.839) 3.563 20.604 ( -3.367 -6.968 -1.531) 7.889 20.676 ( -0.301 2.408 -3.005) 3.863 20.771 ( -3.345 -5.511 -3.208) 7.201 21.099 ( -1.372 5.536 1.535) 5.906 21.177 ( 0.853 -1.502 5.117) 5.400 21.197 ( 6.380 4.732 2.304) 8.271 21.273 ( 3.404 -3.127 -2.889) 5.451 21.516 ( -4.529 2.632 -0.569) 5.269 21.553 ( -2.949 -0.967 0.902) 3.231 21.686 ( -4.638 4.207 -0.200) 6.265 21.774 ( -4.517 -3.024 1.300) 5.589 21.981 ( 1.135 2.476 -1.171) 2.965 22.037 ( 1.517 -2.359 1.104) 3.015 22.070 ( -0.332 5.775 -3.081) 6.554 22.190 ( -0.608 -3.456 -4.326) 5.571 22.302 ( -8.277 6.395 -0.669) 10.482 22.497 ( -12.132 -7.055 4.171) 14.641 22.559 ( -0.481 3.170 -4.699) 5.689 22.711 ( -6.491 -7.076 -0.276) 9.606 23.355 ( 4.373 1.277 -1.985) 4.969 23.387 ( 5.190 -1.667 -4.430) 7.024 23.603 ( 5.016 2.975 1.509) 6.024 23.658 ( 3.846 -2.045 3.135) 5.367 24.149 ( 12.385 6.382 1.283) 13.992 24.259 ( 12.475 -4.298 -2.332) 13.399 24.590 ( 1.097 0.321 0.379) 1.204 24.608 ( 1.714 -1.445 1.672) 2.797 24.945 ( 3.557 4.573 -2.340) 6.248 25.011 ( 4.698 -0.610 -0.189) 4.741 25.104 ( -1.608 4.112 1.521) 4.670 25.193 ( 0.340 -3.481 -0.584) 3.546 25.230 ( 3.330 5.294 4.568) 7.745 25.428 ( 5.782 -12.406 7.413) 15.566 25.583 ( 8.004 7.089 -3.550) 11.266 25.755 ( 5.230 -8.994 -1.924) 10.581 26.126 ( -1.073 6.099 0.466) 6.210 26.191 ( 1.607 0.036 1.803) 2.415 26.283 ( 1.088 1.644 3.489) 4.007 26.305 ( 0.378 0.818 -0.964) 1.320 26.463 ( 0.787 6.514 3.666) 7.516 26.583 ( -0.607 -3.250 -4.341) 5.456 26.624 ( 2.259 0.548 -1.960) 3.041 26.680 ( -0.594 3.813 3.874) 5.468 26.786 ( 0.210 -5.216 -4.767) 7.070 26.883 ( -1.666 -7.844 1.398) 8.140 27.057 ( 0.805 5.703 -0.222) 5.764 27.197 ( -3.506 -7.562 2.681) 8.756 27.237 ( 5.131 1.642 -4.027) 6.726 27.310 ( 9.153 -4.898 -1.346) 10.468 28.065 ( 12.891 3.689 -11.617) 17.741 28.127 ( 11.317 -2.617 -11.922) 16.644 28.952 ( -7.323 5.746 17.983) 20.249 29.080 ( -10.108 -6.727 16.917) 20.823 29.729 ( -1.874 8.470 -5.357) 10.196 29.893 ( -3.265 -7.252 -3.391) 8.646 ======================= Grid point 78 (42/78) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.483 10.494 7.983) 13.194 1.268 ( 2.934 -16.736 5.621) 17.897 1.838 ( -2.658 9.365 2.203) 9.981 1.995 ( 0.548 -5.758 1.393) 5.949 2.249 ( 6.227 -1.533 -0.671) 6.448 2.259 ( 2.405 -2.320 -5.243) 6.217 2.650 ( 4.937 0.691 -5.103) 7.134 2.668 ( 5.491 -1.274 -2.532) 6.179 2.856 ( 1.469 5.036 2.541) 5.829 2.928 ( 2.611 -1.423 2.974) 4.206 3.027 ( 1.546 4.067 -2.913) 5.236 3.082 ( 0.098 -2.044 3.597) 4.139 3.251 ( 7.181 7.155 0.323) 10.142 3.378 ( 4.577 -3.599 1.331) 5.973 3.485 ( 6.884 6.958 -1.875) 9.966 3.621 ( 4.422 -5.119 -0.139) 6.766 3.684 ( 1.385 5.006 -0.483) 5.217 3.769 ( -2.077 -2.782 -1.628) 3.835 3.917 ( 1.405 4.745 2.001) 5.338 3.972 ( -2.246 5.321 2.516) 6.299 4.076 ( 3.826 -4.927 0.459) 6.255 4.194 ( 4.131 -9.995 2.017) 11.001 4.410 ( -3.305 2.681 -1.543) 4.526 4.484 ( -2.055 -3.758 -4.539) 6.241 4.891 ( 8.369 11.950 -3.485) 15.000 5.082 ( 8.660 -6.765 -9.319) 14.408 5.198 ( 10.659 8.904 4.113) 14.485 5.343 ( 12.800 -4.547 11.189) 17.599 6.185 ( -5.362 10.895 21.017) 24.273 6.424 ( -5.157 -11.520 21.059) 24.552 6.592 ( -9.421 15.448 -15.606) 23.895 6.665 ( -0.954 5.179 0.879) 5.339 6.722 ( -6.186 5.727 -5.586) 10.113 6.851 ( -12.750 -2.085 -10.032) 16.357 7.034 ( -4.430 -6.203 -5.814) 9.587 7.158 ( -0.010 -10.657 1.154) 10.720 7.438 ( -0.126 2.724 3.098) 4.127 7.470 ( 1.503 -0.699 -1.392) 2.164 7.628 ( 3.133 2.337 -2.202) 4.486 7.763 ( -1.721 -9.948 -5.122) 11.320 8.013 ( 21.040 -1.856 -5.584) 21.847 8.059 ( 17.614 -4.235 0.074) 18.116 8.335 ( 17.752 3.810 -3.592) 18.508 8.481 ( 17.006 -10.849 0.066) 20.172 8.979 ( 6.041 7.568 17.348) 19.867 9.091 ( 10.385 -0.996 16.760) 19.741 9.296 ( 11.092 1.730 -17.377) 20.687 9.368 ( 10.937 -2.338 -12.441) 16.729 9.684 ( 1.357 4.504 4.031) 6.195 9.824 ( 2.462 -7.311 1.071) 7.789 10.011 ( 2.037 11.181 0.955) 11.405 10.096 ( 1.032 2.513 0.302) 2.734 10.204 ( -0.600 0.965 -4.554) 4.694 10.248 ( 15.462 -3.775 -4.463) 16.530 10.493 ( 10.001 -3.960 5.418) 12.044 10.565 ( 3.846 -9.485 6.025) 11.877 10.671 ( -6.216 5.290 -0.352) 8.170 10.759 ( 0.711 -2.611 -5.980) 6.564 10.909 ( 1.363 2.229 -2.220) 3.429 10.991 ( -0.213 -6.496 -3.341) 7.308 11.391 ( -1.102 5.579 -0.962) 5.767 11.485 ( 1.794 -4.129 -2.656) 5.227 11.543 ( -4.342 2.608 7.544) 9.087 11.679 ( -6.871 -7.987 9.097) 13.920 11.847 ( -5.119 1.554 6.800) 8.652 11.896 ( -4.489 -2.980 4.986) 7.341 12.190 ( -3.219 4.455 -8.080) 9.772 12.256 ( -3.147 -1.349 -5.589) 6.554 12.609 ( 6.738 12.454 2.848) 14.444 12.772 ( 7.907 5.813 -3.563) 10.441 12.864 ( 5.942 -5.580 -5.215) 9.677 12.922 ( 7.753 -7.960 4.096) 11.843 13.175 ( 8.893 5.132 -3.450) 10.832 13.317 ( 4.732 -7.015 -3.684) 9.229 13.517 ( -2.808 4.212 -2.905) 5.836 13.581 ( 0.212 -2.016 -1.510) 2.527 13.757 ( 5.047 9.105 9.616) 14.172 13.823 ( 2.514 7.680 5.049) 9.529 13.987 ( 3.854 -4.161 -3.903) 6.885 14.099 ( -1.162 -8.937 -3.120) 9.538 14.578 ( -2.322 19.395 -2.234) 19.661 14.757 ( 6.033 15.526 5.786) 17.633 15.055 ( -14.007 -10.775 2.595) 17.861 15.215 ( -5.709 -8.533 -6.172) 11.979 15.418 ( -6.219 -3.279 0.296) 7.036 15.478 ( -5.574 -6.907 -1.913) 9.079 15.546 ( -12.735 -4.234 -2.382) 13.631 15.571 ( -2.033 -7.801 -3.412) 8.754 15.928 ( 2.366 3.127 8.705) 9.548 16.034 ( 5.039 -6.259 7.757) 11.169 16.636 ( 3.842 3.012 -2.556) 5.510 16.679 ( 3.723 -1.096 -1.183) 4.057 17.142 ( -17.997 7.760 -15.846) 25.204 17.272 ( -21.679 -4.933 -20.936) 30.539 17.351 ( -12.646 8.873 14.608) 21.261 17.517 ( -17.320 -6.955 19.194) 26.773 20.121 ( -6.012 2.338 -0.721) 6.491 20.153 ( -4.049 -0.472 -2.104) 4.587 20.282 ( -8.756 4.973 0.115) 10.071 20.386 ( -9.045 -3.220 1.439) 9.708 20.518 ( -0.861 -0.376 3.267) 3.400 20.538 ( -0.965 -2.759 -1.723) 3.393 20.665 ( 0.126 1.843 0.593) 1.940 20.726 ( -0.391 -3.446 -0.765) 3.552 21.050 ( -2.268 6.381 -1.883) 7.028 21.178 ( -0.947 -5.847 -1.108) 6.026 21.307 ( -0.335 7.170 2.419) 7.575 21.371 ( 3.560 0.657 1.847) 4.065 21.481 ( 1.447 2.814 2.016) 3.752 21.548 ( 0.833 -1.558 -0.212) 1.780 21.617 ( -4.169 1.448 3.461) 5.608 21.705 ( -3.857 -4.155 1.376) 5.834 22.004 ( 3.867 3.373 -3.300) 6.101 22.052 ( -0.282 3.090 -0.526) 3.147 22.086 ( 3.184 -3.097 -0.755) 4.505 22.158 ( -1.694 -4.875 -1.273) 5.316 22.205 ( -2.252 7.761 2.062) 8.340 22.356 ( -8.468 -5.157 4.022) 10.699 22.500 ( -1.024 2.835 -4.349) 5.291 22.597 ( -5.717 -4.801 -1.512) 7.617 23.382 ( 2.747 0.420 -5.363) 6.040 23.396 ( 3.047 -0.676 -7.215) 7.861 23.651 ( -0.281 5.579 3.164) 6.420 23.752 ( 2.856 -3.846 4.476) 6.556 24.360 ( 10.662 3.194 0.423) 11.138 24.434 ( 9.602 -3.801 -1.658) 10.460 24.598 ( 0.521 2.089 0.407) 2.191 24.645 ( 1.352 -2.597 1.341) 3.220 25.006 ( 5.323 3.959 -1.783) 6.869 25.066 ( 3.139 -1.539 -1.483) 3.797 25.090 ( -0.991 3.431 0.505) 3.607 25.169 ( -1.987 -3.841 0.394) 4.342 25.357 ( 4.376 8.261 4.354) 10.313 25.530 ( 1.834 -8.035 2.203) 8.531 25.719 ( 9.030 5.309 -1.210) 10.544 25.845 ( 5.571 -5.303 -0.446) 7.704 26.127 ( 0.965 6.213 -0.156) 6.289 26.232 ( 2.455 -2.461 -0.800) 3.567 26.321 ( 2.976 1.748 -2.774) 4.428 26.339 ( 2.797 1.642 0.270) 3.255 26.488 ( 0.187 3.854 1.457) 4.125 26.545 ( 0.128 -2.325 -1.026) 2.544 26.612 ( 0.076 2.020 -3.459) 4.006 26.723 ( -1.585 6.323 4.429) 7.881 26.779 ( 1.960 -9.740 0.940) 9.980 26.883 ( -0.752 -7.670 1.786) 7.911 27.024 ( -2.252 3.363 -1.753) 4.411 27.135 ( -3.497 -7.600 -0.740) 8.399 27.327 ( 4.720 4.503 2.337) 6.929 27.430 ( 4.822 -5.403 1.049) 7.317 28.175 ( 11.751 2.059 -9.554) 15.284 28.210 ( 10.654 -1.431 -9.952) 14.649 28.985 ( -6.777 3.351 13.451) 15.430 29.057 ( -9.035 -3.516 12.224) 15.602 29.668 ( 0.671 7.520 -5.312) 9.232 29.818 ( -1.912 -6.952 -3.421) 7.981 ======================= Grid point 79 (43/78) ======================= q-point: ( 0.40 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.685 13.689 11.506) 17.895 1.385 ( 1.462 -14.159 7.804) 16.233 1.802 ( -1.226 11.192 -1.813) 11.404 2.019 ( 1.433 -10.564 -0.990) 10.707 2.233 ( 1.498 3.051 -4.702) 5.802 2.315 ( 2.959 -4.841 -1.852) 5.969 2.609 ( 0.529 2.535 -5.768) 6.323 2.686 ( 0.326 -4.487 -5.033) 6.751 2.937 ( 1.025 3.777 4.059) 5.638 2.971 ( -1.340 1.606 2.337) 3.136 3.042 ( 4.214 1.310 -1.071) 4.541 3.095 ( 0.547 -2.971 -0.037) 3.021 3.357 ( 6.146 6.154 -0.761) 8.731 3.461 ( 5.619 -2.937 -0.740) 6.383 3.570 ( 2.293 7.158 1.271) 7.623 3.629 ( -3.259 2.208 2.710) 4.779 3.710 ( -1.868 -0.581 -1.701) 2.592 3.750 ( 4.637 -3.520 -1.939) 6.136 3.922 ( -1.919 3.374 2.289) 4.506 3.962 ( -1.762 0.996 2.119) 2.931 4.191 ( 2.883 0.459 4.066) 5.005 4.302 ( 5.110 -6.762 2.186) 8.754 4.348 ( -1.253 -3.038 -0.105) 3.288 4.378 ( -3.197 -4.490 -4.357) 7.026 5.024 ( 8.194 9.251 0.374) 12.364 5.171 ( 9.842 -5.417 -4.821) 12.225 5.392 ( 5.770 12.263 4.257) 14.206 5.593 ( 5.213 -7.060 6.268) 10.785 6.206 ( -4.791 11.716 5.108) 13.650 6.348 ( -12.497 11.005 3.617) 17.040 6.441 ( -5.903 -2.602 7.016) 9.531 6.552 ( -0.662 4.988 -2.916) 5.816 6.630 ( -6.698 -8.051 3.585) 11.069 6.722 ( -0.016 -3.249 4.372) 5.447 6.861 ( -9.529 6.441 2.018) 11.677 7.187 ( -5.962 -13.863 6.176) 16.306 7.456 ( 1.806 -1.469 -2.620) 3.505 7.475 ( -0.002 -1.364 6.177) 6.326 7.602 ( -3.190 -1.499 2.630) 4.397 7.713 ( -2.949 -8.192 5.040) 10.060 8.293 ( 7.517 -1.829 -0.979) 7.798 8.324 ( 12.354 -5.167 -4.246) 14.048 8.575 ( 16.128 7.586 -6.789) 19.072 8.780 ( 17.077 -11.928 -1.640) 20.894 9.150 ( 12.990 8.647 -9.482) 18.259 9.321 ( 9.035 -5.611 -7.780) 13.178 9.363 ( 7.847 7.254 -3.329) 11.193 9.477 ( 5.820 -2.751 -1.108) 6.532 9.796 ( 3.926 6.164 3.525) 8.114 9.872 ( 3.070 -0.394 -3.559) 4.716 9.997 ( -1.707 6.337 3.207) 7.304 10.101 ( -1.214 -1.655 1.494) 2.538 10.248 ( 10.584 11.715 -4.956) 16.548 10.371 ( -5.716 2.014 -5.451) 8.151 10.421 ( -4.446 2.267 -0.818) 5.057 10.584 ( 2.418 -10.945 0.372) 11.215 10.737 ( 5.859 2.018 5.454) 8.255 10.886 ( 5.920 -5.608 4.272) 9.205 10.960 ( 6.332 -0.095 -6.898) 9.364 11.002 ( -0.245 -4.003 -2.081) 4.519 11.342 ( -5.331 6.000 1.257) 8.124 11.489 ( 0.252 -7.183 -1.035) 7.262 11.531 ( -0.128 -5.518 -1.968) 5.860 11.564 ( -8.723 -6.137 1.691) 10.799 11.807 ( -9.112 -0.592 5.855) 10.847 11.820 ( -7.351 -1.713 5.324) 9.236 12.098 ( 2.184 3.759 -4.101) 5.977 12.152 ( -1.122 -1.414 -2.062) 2.740 12.732 ( 5.907 16.905 -0.324) 17.910 12.861 ( 4.791 8.936 -2.194) 10.374 12.938 ( 5.299 -0.517 -1.397) 5.505 13.052 ( 6.353 -11.607 -1.043) 13.273 13.285 ( 4.381 2.719 -10.276) 11.497 13.352 ( 8.974 -1.166 -4.570) 10.138 13.482 ( 0.834 3.740 2.593) 4.627 13.617 ( 2.574 -7.571 5.291) 9.589 13.902 ( 1.115 7.791 2.243) 8.184 13.973 ( 7.035 3.786 -1.075) 8.061 14.047 ( 3.736 -4.891 5.000) 7.930 14.088 ( 1.965 -5.292 3.774) 6.790 14.561 ( 1.511 13.605 2.983) 14.010 14.793 ( -12.288 0.411 -2.551) 12.557 14.936 ( 0.713 -1.471 5.804) 6.030 15.082 ( -1.485 -3.969 -6.405) 7.680 15.223 ( -14.635 -2.050 2.128) 14.931 15.299 ( -9.473 -7.016 -1.593) 11.895 15.395 ( -2.993 3.311 -0.788) 4.532 15.557 ( 2.403 -10.613 -4.288) 11.696 16.039 ( 0.538 3.718 5.503) 6.663 16.134 ( -0.491 -4.605 -0.091) 4.632 16.651 ( 1.278 2.928 -5.135) 6.048 16.700 ( 0.102 -0.862 -2.790) 2.922 16.773 ( -7.932 2.398 -8.099) 11.587 16.833 ( -8.273 -3.664 -7.036) 11.462 17.270 ( -10.497 7.335 8.331) 15.277 17.386 ( -14.644 -3.912 10.501) 18.439 20.023 ( -3.952 3.015 0.248) 4.977 20.081 ( -2.305 -2.128 -0.429) 3.167 20.177 ( -5.018 2.427 2.510) 6.113 20.258 ( -6.932 -4.458 2.619) 8.647 20.527 ( -0.369 0.373 1.457) 1.549 20.543 ( -0.369 -0.856 3.178) 3.312 20.682 ( -0.006 2.362 2.064) 3.137 20.731 ( 0.021 -2.106 2.905) 3.588 21.005 ( -0.604 6.430 -1.885) 6.728 21.151 ( -0.229 -7.038 -2.650) 7.524 21.276 ( -3.730 8.419 2.624) 9.574 21.390 ( -0.300 -1.530 -0.956) 1.829 21.530 ( -1.451 3.447 -0.822) 3.829 21.540 ( 0.945 3.655 2.042) 4.292 21.608 ( -0.568 -5.772 -0.032) 5.800 21.691 ( 0.733 -6.428 0.209) 6.473 22.016 ( 1.447 3.684 -4.445) 5.952 22.059 ( 3.106 4.635 -1.840) 5.875 22.075 ( -1.487 -0.563 -2.474) 2.941 22.165 ( 2.885 -3.594 -1.330) 4.797 22.199 ( -3.350 3.471 1.143) 4.957 22.281 ( -4.754 -4.083 1.355) 6.411 22.447 ( -0.941 3.263 -1.823) 3.854 22.518 ( -1.977 -2.986 0.066) 3.582 23.373 ( 2.831 0.611 -3.918) 4.873 23.393 ( 3.414 -1.002 -3.176) 4.770 23.678 ( -1.148 7.985 4.545) 9.259 23.825 ( 0.645 -5.797 3.775) 6.948 24.484 ( 3.275 1.390 0.890) 3.667 24.529 ( 3.089 -2.667 -0.376) 4.098 24.650 ( 3.335 2.248 2.702) 4.845 24.704 ( 3.420 -3.038 2.167) 5.061 25.065 ( 1.428 3.523 -1.122) 3.964 25.075 ( 0.820 2.245 0.595) 2.463 25.102 ( 1.144 -0.607 -0.092) 1.298 25.134 ( -1.649 -2.877 -0.776) 3.406 25.446 ( 1.620 5.948 3.289) 6.987 25.560 ( 0.288 -4.882 1.145) 5.023 25.828 ( 5.430 4.441 -2.400) 7.414 25.903 ( 2.039 -0.938 -1.136) 2.515 26.156 ( 2.040 3.704 0.470) 4.254 26.264 ( 3.033 -4.666 -1.933) 5.891 26.328 ( 2.607 3.578 -4.894) 6.600 26.381 ( 3.285 1.815 -2.498) 4.508 26.516 ( 0.373 1.039 1.372) 1.761 26.551 ( 0.071 -2.100 -1.166) 2.403 26.587 ( 1.144 4.961 -1.084) 5.206 26.704 ( -2.775 2.564 -0.657) 3.835 26.830 ( -0.064 -8.601 3.788) 9.398 26.870 ( -0.884 -4.033 -1.037) 4.257 26.978 ( -1.729 1.192 -0.137) 2.105 27.076 ( -1.803 -6.765 -2.114) 7.313 27.433 ( 1.749 3.113 8.638) 9.347 27.510 ( 1.651 -4.215 5.494) 7.118 28.268 ( 8.954 1.335 -8.076) 12.131 28.290 ( 8.835 -0.881 -7.964) 11.927 28.979 ( -6.944 1.817 9.404) 11.830 29.015 ( -7.845 -1.665 9.063) 12.101 29.641 ( 2.512 5.662 -6.564) 9.025 29.756 ( -0.274 -5.442 -5.724) 7.903 ======================= Grid point 80 (44/78) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -5.376 14.645 10.790) 18.968 1.446 ( -3.452 -12.811 8.724) 15.880 1.755 ( -0.976 11.711 -4.636) 12.633 2.003 ( -0.691 -12.324 -4.002) 12.976 2.245 ( 2.751 2.100 -1.014) 3.606 2.321 ( -0.034 -5.272 -2.825) 5.981 2.596 ( 4.070 0.142 -4.718) 6.233 2.625 ( 1.583 -2.545 -6.485) 7.144 2.953 ( -3.754 3.805 2.610) 5.948 2.979 ( 0.535 1.916 2.165) 2.940 3.088 ( -0.608 0.227 1.910) 2.017 3.119 ( 1.824 -2.453 0.798) 3.159 3.441 ( 3.266 4.967 -0.482) 5.964 3.518 ( -0.776 -1.582 -0.678) 1.888 3.584 ( -0.114 5.555 0.543) 5.583 3.590 ( -3.273 1.654 2.913) 4.684 3.692 ( 1.813 1.499 -1.024) 2.566 3.767 ( 0.225 -3.588 -2.041) 4.134 3.921 ( -0.377 3.507 1.843) 3.980 3.972 ( 0.086 0.795 2.490) 2.615 4.167 ( -4.308 2.592 -0.896) 5.107 4.292 ( -1.526 -4.068 -1.923) 4.752 4.375 ( 1.053 -4.327 2.111) 4.928 4.426 ( 3.435 -6.448 3.215) 7.982 5.139 ( 1.810 8.641 3.624) 9.543 5.299 ( 6.650 -5.451 -0.146) 8.600 5.437 ( -4.747 8.827 2.845) 10.418 5.634 ( -3.662 -8.801 1.619) 9.669 6.193 ( -10.225 9.423 4.523) 14.622 6.237 ( 3.119 7.811 3.486) 9.105 6.431 ( -9.889 0.620 6.592) 11.901 6.546 ( -0.259 -5.372 4.270) 6.867 6.625 ( -1.141 12.004 8.792) 14.923 6.830 ( 4.878 -3.999 9.877) 11.719 6.895 ( 9.452 1.327 11.452) 14.908 7.138 ( -1.939 -13.129 4.256) 13.938 7.505 ( 1.768 0.693 3.987) 4.416 7.545 ( 2.275 -1.047 4.824) 5.435 7.629 ( -0.597 -2.456 9.127) 9.470 7.721 ( -1.296 -7.243 5.810) 9.376 8.300 ( -1.431 -3.570 -12.380) 12.963 8.311 ( -0.432 -4.410 -4.554) 6.354 8.756 ( 5.326 7.719 -1.050) 9.437 8.915 ( 1.705 -7.409 -2.413) 7.976 9.240 ( -14.580 7.239 -3.287) 16.607 9.358 ( 4.510 1.125 -12.966) 13.774 9.386 ( 8.267 2.450 -14.555) 16.918 9.470 ( 12.913 -7.027 -5.470) 15.685 9.751 ( -1.309 5.493 -8.300) 10.039 9.870 ( -0.490 -4.614 -7.988) 9.238 10.023 ( -8.997 7.563 2.974) 12.124 10.084 ( -14.437 7.241 2.276) 16.311 10.121 ( 5.578 7.809 0.276) 9.601 10.380 ( 2.037 -9.695 -1.291) 9.991 10.432 ( 5.815 11.341 -0.467) 12.754 10.651 ( 4.810 -7.351 -6.241) 10.776 10.752 ( -9.831 2.100 -0.111) 10.054 10.864 ( -7.054 -4.961 -2.394) 8.950 10.978 ( 8.242 -2.017 -2.736) 8.915 11.047 ( 7.955 -7.407 0.935) 10.910 11.266 ( -3.888 1.078 -0.198) 4.039 11.341 ( -6.817 -6.215 -6.993) 11.576 11.554 ( 2.661 -0.657 3.921) 4.784 11.600 ( 1.431 -5.028 6.048) 7.994 11.710 ( -4.840 1.664 1.782) 5.420 11.777 ( -4.208 -5.167 4.171) 7.862 12.162 ( 5.955 3.495 -0.269) 6.910 12.187 ( 3.843 1.228 -0.102) 4.036 12.785 ( -0.702 17.857 -0.665) 17.883 12.862 ( -1.421 8.560 -4.710) 9.873 12.971 ( -0.143 0.333 -0.357) 0.509 13.124 ( 1.344 -10.073 -0.333) 10.167 13.244 ( 1.353 4.542 -2.882) 5.547 13.396 ( 3.035 -8.288 -7.080) 11.314 13.588 ( 3.470 7.927 6.134) 10.607 13.740 ( 3.307 -5.139 4.385) 7.522 13.921 ( -1.766 3.490 2.495) 4.639 13.993 ( -1.682 -2.583 1.641) 3.492 14.067 ( -2.184 -1.138 -1.543) 2.906 14.090 ( -5.963 -2.675 -0.537) 6.558 14.660 ( -4.208 5.751 9.281) 11.702 14.762 ( 5.510 6.935 -2.209) 9.129 14.808 ( -5.176 -3.312 2.090) 6.491 14.976 ( 1.843 -7.803 -4.928) 9.411 15.156 ( 4.218 3.197 0.553) 5.322 15.336 ( 0.768 4.653 1.005) 4.822 15.349 ( 2.674 -8.291 5.239) 10.166 15.532 ( 0.865 -6.585 -6.663) 9.408 15.996 ( -4.913 -2.688 -3.628) 6.673 16.005 ( -6.464 -2.254 -6.072) 9.150 16.589 ( -2.472 2.228 -8.849) 9.454 16.610 ( 1.841 0.148 -8.738) 8.931 16.825 ( 10.973 3.420 7.658) 13.811 16.910 ( 9.486 -4.721 10.198) 14.706 17.164 ( -6.505 6.036 1.025) 8.933 17.248 ( -7.133 -2.092 1.820) 7.653 20.014 ( 0.895 3.172 2.814) 4.334 20.079 ( 1.004 -2.343 1.851) 3.150 20.153 ( -1.097 1.427 2.874) 3.391 20.219 ( -0.899 -3.983 3.044) 5.093 20.537 ( -0.803 1.607 2.670) 3.218 20.572 ( -0.102 -1.710 3.758) 4.130 20.703 ( -0.456 4.176 3.907) 5.737 20.787 ( 0.884 -3.478 6.647) 7.553 21.000 ( 1.600 5.703 -1.034) 6.013 21.123 ( 0.487 -4.824 -2.797) 5.598 21.259 ( -1.078 6.490 2.267) 6.958 21.374 ( 0.009 -2.314 -0.932) 2.494 21.493 ( -0.775 3.333 -3.746) 5.074 21.555 ( -1.602 1.683 3.430) 4.143 21.572 ( -0.889 -3.351 -5.900) 6.843 21.708 ( 0.396 -7.620 -0.353) 7.638 22.000 ( 2.522 3.645 -5.978) 7.442 22.020 ( -1.411 2.526 -1.972) 3.502 22.097 ( 3.276 3.761 -2.470) 5.566 22.118 ( -3.839 2.620 -2.611) 5.331 22.160 ( -1.758 -1.075 -2.809) 3.483 22.206 ( -0.758 -5.569 -2.370) 6.100 22.464 ( 2.352 1.082 1.107) 2.816 22.508 ( -0.185 -2.521 0.559) 2.589 23.420 ( 4.176 1.642 0.080) 4.488 23.446 ( 2.805 -0.699 0.963) 3.047 23.699 ( -1.593 7.413 5.411) 9.315 23.841 ( -2.177 -5.782 2.307) 6.595 24.527 ( 0.267 0.866 2.775) 2.919 24.559 ( 0.170 -1.982 1.212) 2.329 24.711 ( -0.324 2.419 3.341) 4.137 24.766 ( 0.003 -2.852 2.991) 4.133 25.049 ( -1.038 2.113 -0.933) 2.533 25.075 ( -1.187 -0.215 -2.373) 2.662 25.119 ( 1.441 0.304 0.758) 1.656 25.126 ( 0.353 -0.747 0.396) 0.916 25.472 ( -1.837 5.226 2.801) 6.208 25.570 ( -0.632 -4.059 1.778) 4.476 25.858 ( 2.029 3.906 -3.899) 5.880 25.902 ( -0.009 0.229 -2.284) 2.296 26.189 ( 0.201 3.391 1.723) 3.809 26.290 ( 0.506 -2.892 -1.616) 3.351 26.334 ( 3.239 0.967 -3.199) 4.654 26.392 ( 1.585 0.050 -4.170) 4.461 26.477 ( -3.185 4.060 -3.280) 6.114 26.544 ( -1.588 -0.794 2.488) 3.056 26.601 ( 0.905 4.337 -4.064) 6.012 26.634 ( -0.988 1.944 -3.268) 3.929 26.818 ( -2.547 -6.456 2.124) 7.258 26.868 ( -0.230 -8.445 -1.410) 8.565 26.972 ( 0.944 1.657 1.907) 2.697 27.047 ( 0.800 -4.731 -1.406) 5.000 27.544 ( -1.190 1.839 12.242) 12.436 27.598 ( -0.271 -3.326 9.523) 10.091 28.315 ( 5.833 1.722 -8.553) 10.495 28.348 ( 6.551 -1.476 -7.765) 10.266 28.935 ( -7.631 1.541 7.491) 10.804 28.966 ( -7.999 -1.358 8.650) 11.859 29.618 ( 3.027 4.088 -7.942) 9.432 29.700 ( 1.776 -3.749 -8.166) 9.159 ======================= Grid point 81 (45/78) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -5.547 14.043 13.194) 20.051 1.449 ( -6.624 -13.154 11.125) 18.457 1.693 ( -0.101 10.180 -5.187) 11.426 1.921 ( -3.378 -11.696 -5.000) 13.161 2.242 ( -3.221 -1.209 -3.937) 5.228 2.279 ( 1.228 -4.240 -3.093) 5.390 2.605 ( 4.191 4.087 -6.560) 8.792 2.690 ( 7.920 -4.258 -5.437) 10.508 2.870 ( -7.774 6.202 2.835) 10.341 2.974 ( -5.508 -3.149 3.765) 7.378 3.071 ( -2.344 3.931 0.712) 4.632 3.140 ( -0.678 -2.444 1.148) 2.784 3.409 ( -6.438 3.043 0.212) 7.124 3.442 ( -5.755 -0.162 -1.060) 5.854 3.573 ( -0.985 4.038 1.096) 4.298 3.590 ( -2.230 2.929 1.244) 3.886 3.739 ( 3.596 0.118 -0.867) 3.701 3.777 ( 4.504 -2.758 -1.300) 5.439 3.943 ( 0.570 5.634 2.774) 6.306 3.987 ( -3.225 7.582 3.713) 9.038 4.113 ( -1.192 -3.630 1.255) 4.022 4.250 ( -3.185 -9.770 0.061) 10.276 4.400 ( 0.470 2.298 0.863) 2.499 4.483 ( 2.324 -4.043 -1.642) 4.944 5.119 ( -8.099 8.714 -0.870) 11.928 5.296 ( -8.594 12.082 3.672) 15.275 5.344 ( -7.069 -12.287 -1.159) 14.222 5.557 ( -7.345 -12.189 7.079) 15.895 6.061 ( -11.735 7.632 5.928) 15.202 6.194 ( -12.562 -4.633 0.510) 13.399 6.423 ( -6.923 10.901 -0.603) 12.927 6.465 ( 10.395 8.210 -0.137) 13.247 6.869 ( 4.947 -1.890 13.096) 14.126 6.983 ( 4.518 -6.340 7.976) 11.145 7.206 ( 7.768 2.283 6.300) 10.259 7.270 ( 9.377 -5.325 7.241) 12.989 7.565 ( 0.604 0.500 3.851) 3.930 7.601 ( 0.803 -3.133 0.421) 3.262 7.814 ( 6.564 2.526 20.132) 21.325 7.855 ( 8.177 -3.135 9.246) 12.736 8.139 ( -0.788 1.360 -11.886) 11.990 8.263 ( 2.248 -7.804 -3.375) 8.795 8.588 ( -19.825 12.885 -11.746) 26.401 8.773 ( -28.946 1.525 -6.800) 29.773 8.850 ( -8.099 -4.192 1.754) 9.287 9.009 ( -15.994 -10.659 -7.201) 20.525 9.552 ( -4.636 4.424 -3.573) 7.337 9.597 ( 5.730 4.410 -6.977) 10.048 9.620 ( -6.275 6.924 -11.283) 14.651 9.755 ( 17.187 -5.804 -3.410) 18.458 9.889 ( -11.486 -1.100 -0.552) 11.551 9.945 ( -1.060 -8.970 -4.870) 10.262 10.197 ( 1.492 8.934 -4.856) 10.278 10.372 ( 1.505 -6.253 -3.262) 7.211 10.510 ( 5.200 5.481 -1.956) 7.804 10.563 ( -2.280 -1.326 -0.322) 2.657 10.698 ( -3.103 1.511 6.759) 7.589 10.755 ( -6.405 -5.512 3.531) 9.159 11.058 ( 1.130 1.708 -4.879) 5.291 11.181 ( -1.330 -4.052 -2.240) 4.817 11.218 ( 5.606 -4.140 1.984) 7.245 11.243 ( 1.754 -2.779 -3.240) 4.615 11.564 ( -4.671 2.693 4.321) 6.910 11.643 ( -2.256 -2.965 0.939) 3.842 11.759 ( 5.577 -0.844 7.301) 9.226 11.798 ( 2.942 -2.881 5.188) 6.624 12.211 ( 1.028 3.556 -5.036) 6.250 12.234 ( 4.091 1.472 -4.982) 6.613 12.664 ( -8.716 15.091 -2.829) 17.655 12.770 ( -3.939 6.797 -3.818) 8.735 12.931 ( -3.596 -1.972 -1.066) 4.237 13.065 ( -7.758 -9.621 -0.642) 12.376 13.227 ( -3.225 3.169 -2.831) 5.335 13.324 ( -6.139 -5.289 -5.173) 9.614 13.636 ( -4.630 3.871 -2.217) 6.429 13.722 ( -4.033 -4.357 1.497) 6.122 13.831 ( -9.374 8.188 6.057) 13.842 13.907 ( -1.832 2.605 7.490) 8.139 14.123 ( 5.856 -2.109 1.708) 6.454 14.146 ( 4.020 -4.585 3.353) 6.959 14.644 ( -4.657 13.612 1.872) 14.508 14.697 ( 1.361 2.165 1.453) 2.941 14.801 ( 1.976 2.611 -4.106) 5.252 15.212 ( 10.120 -21.125 2.811) 23.592 15.258 ( 4.276 6.821 -0.453) 8.063 15.374 ( 13.267 6.657 -2.721) 15.091 15.449 ( 0.657 -11.464 -2.069) 11.668 15.516 ( 5.010 -5.458 -1.386) 7.537 15.891 ( -1.052 -0.677 0.314) 1.290 15.925 ( -2.458 -4.684 1.344) 5.458 16.474 ( 2.465 3.599 -11.178) 11.999 16.574 ( 3.300 -5.489 -7.432) 9.811 16.958 ( -5.273 4.797 -2.734) 7.635 17.022 ( -5.534 -1.396 -1.847) 5.999 17.280 ( 20.128 9.327 8.419) 23.728 17.431 ( 24.087 -5.647 10.273) 26.788 20.083 ( 3.022 3.100 2.767) 5.138 20.128 ( 2.998 1.003 -0.062) 3.162 20.190 ( 2.097 -0.458 2.971) 3.665 20.266 ( 3.642 -5.238 0.164) 6.382 20.561 ( -0.014 2.987 4.669) 5.543 20.613 ( 0.816 -1.892 3.326) 3.912 20.755 ( 0.463 5.105 7.033) 8.703 20.877 ( 0.748 -5.827 8.419) 10.266 21.026 ( 1.780 5.254 -0.681) 5.589 21.118 ( 0.954 -3.135 -1.860) 3.768 21.288 ( 2.487 5.347 1.954) 6.212 21.381 ( -3.236 2.600 -8.527) 9.484 21.386 ( 0.114 -1.695 -0.366) 1.738 21.458 ( -3.999 -4.312 -7.504) 9.534 21.584 ( 1.734 4.032 2.591) 5.097 21.692 ( -0.878 -4.360 1.170) 4.599 21.985 ( 3.318 3.812 -4.025) 6.461 22.032 ( 1.903 0.005 -3.590) 4.063 22.048 ( -1.289 3.592 -0.699) 3.880 22.105 ( 1.746 1.794 -0.775) 2.620 22.157 ( 3.902 -1.680 -0.998) 4.364 22.200 ( 1.756 -3.375 -1.442) 4.068 22.505 ( 1.640 -0.836 -1.359) 2.289 22.534 ( 3.605 -3.515 0.063) 5.036 23.441 ( -2.412 3.369 -1.578) 4.434 23.483 ( 0.812 -0.811 -0.528) 1.264 23.741 ( -0.854 3.291 6.718) 7.530 23.806 ( -3.686 -2.715 1.602) 4.850 24.516 ( -5.982 1.608 2.187) 6.569 24.556 ( -2.513 -1.971 1.827) 3.680 24.719 ( -2.235 2.061 4.693) 5.592 24.758 ( -3.590 -1.488 2.617) 4.686 24.998 ( -2.901 1.098 -3.487) 4.667 25.022 ( -0.744 -0.622 -5.691) 5.773 25.131 ( -1.181 0.283 1.887) 2.244 25.147 ( 0.281 -1.146 1.589) 1.979 25.452 ( -4.117 6.446 4.109) 8.683 25.575 ( -1.995 -5.213 3.601) 6.642 25.831 ( -0.819 2.751 -3.913) 4.853 25.867 ( -1.122 -0.323 -2.441) 2.706 26.185 ( -3.094 4.073 2.005) 5.494 26.239 ( -2.316 1.108 -4.215) 4.935 26.315 ( -3.820 -1.348 -1.713) 4.398 26.331 ( -2.578 -2.400 -6.197) 7.128 26.421 ( -0.770 6.240 -0.658) 6.322 26.514 ( -1.163 2.345 -2.373) 3.533 26.575 ( 1.672 2.053 -2.697) 3.779 26.645 ( 3.585 -1.748 -0.606) 4.034 26.815 ( -0.268 -5.601 1.554) 5.819 26.843 ( -0.678 -8.094 0.964) 8.179 27.032 ( 2.919 0.950 1.006) 3.231 27.077 ( 3.247 -3.128 0.199) 4.513 27.608 ( -5.681 1.482 12.256) 13.590 27.656 ( -4.712 -3.041 9.798) 11.290 28.298 ( 3.875 2.694 -12.135) 13.020 28.352 ( 4.612 -2.566 -11.560) 12.708 28.865 ( -9.762 2.443 9.012) 13.508 28.920 ( -8.925 -2.717 12.103) 15.282 29.603 ( 4.619 3.916 -7.518) 9.654 29.675 ( 5.333 -2.901 -8.543) 10.480 ======================= Grid point 82 (46/78) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.097 11.474 16.764) 20.315 1.473 ( -3.334 -7.597 11.607) 14.267 1.671 ( 1.999 4.219 -1.543) 4.917 1.810 ( -2.753 -8.136 -6.738) 10.917 2.144 ( -2.801 4.385 -3.200) 6.108 2.256 ( 0.812 -5.021 -4.639) 6.884 2.485 ( -10.405 8.715 -7.831) 15.670 2.669 ( -4.285 -7.982 -7.132) 11.529 2.821 ( -2.687 4.323 1.465) 5.296 2.909 ( -5.603 -4.402 4.325) 8.335 3.027 ( -3.618 7.490 0.915) 8.368 3.135 ( -0.848 -2.985 1.512) 3.452 3.261 ( -10.391 2.413 0.615) 10.685 3.306 ( -9.663 -1.642 -0.323) 9.806 3.524 ( -5.225 1.379 -1.628) 5.644 3.539 ( -3.321 0.369 -1.176) 3.542 3.787 ( -1.908 7.622 3.166) 8.470 3.867 ( 5.593 -0.192 -0.453) 5.615 3.901 ( -6.840 10.269 0.620) 12.354 4.003 ( 1.031 7.360 5.669) 9.347 4.123 ( -3.398 -9.091 1.906) 9.891 4.208 ( 0.229 -10.283 2.826) 10.667 4.389 ( -2.154 4.036 -3.242) 5.607 4.463 ( -1.486 -2.272 -5.186) 5.854 4.830 ( -16.596 10.509 -6.092) 20.567 5.102 ( -13.989 -14.299 -5.858) 20.844 5.266 ( -3.050 12.176 8.836) 15.351 5.555 ( -3.482 -13.968 8.249) 16.591 5.878 ( -17.884 3.482 7.837) 19.834 5.947 ( -14.883 -2.402 -0.781) 15.096 6.352 ( -0.629 15.342 -0.626) 15.368 6.601 ( 2.962 -7.386 -0.850) 8.003 6.970 ( -0.563 2.394 4.019) 4.712 7.043 ( -9.314 -6.170 3.627) 11.747 7.344 ( 7.091 7.561 -1.258) 10.442 7.426 ( 5.755 -0.344 1.840) 6.052 7.519 ( -8.336 0.283 -6.259) 10.428 7.623 ( 0.913 -6.292 -3.237) 7.134 7.846 ( -3.512 1.183 -11.846) 12.412 7.949 ( -1.747 -6.742 -10.705) 12.772 8.110 ( -19.632 10.907 2.359) 22.581 8.195 ( -11.268 5.868 3.406) 13.152 8.367 ( 4.447 5.913 16.222) 17.830 8.515 ( 0.481 -7.564 10.941) 13.310 8.649 ( -18.114 -0.722 6.281) 19.185 8.764 ( -4.637 -11.630 13.396) 18.336 9.357 ( -2.146 6.602 -12.659) 14.437 9.460 ( 1.607 1.817 -6.527) 6.963 9.632 ( -5.071 -6.180 -11.310) 13.850 9.713 ( -2.565 -10.697 -3.161) 11.445 9.872 ( 4.605 2.280 -1.190) 5.274 9.999 ( 9.165 -8.798 -3.140) 13.087 10.159 ( 0.371 9.713 -0.755) 9.750 10.348 ( -4.164 -9.083 0.669) 10.015 10.538 ( -1.954 9.171 1.080) 9.439 10.631 ( 1.328 4.350 1.525) 4.797 10.683 ( -0.003 -3.808 -0.560) 3.849 10.729 ( -1.878 -5.474 7.156) 9.204 11.014 ( -1.034 6.154 -1.296) 6.373 11.149 ( 0.178 -3.968 -2.195) 4.538 11.207 ( -1.082 -1.138 -2.020) 2.558 11.273 ( 1.104 -7.086 -3.370) 7.923 11.588 ( 2.640 4.735 5.236) 7.536 11.656 ( 2.566 -1.366 1.830) 3.435 11.886 ( 2.444 4.631 7.485) 9.135 11.972 ( 5.301 -3.544 8.546) 10.663 12.125 ( -5.140 5.372 -3.532) 8.231 12.209 ( -0.206 -2.529 -4.198) 4.905 12.502 ( -6.524 12.010 -3.588) 14.131 12.664 ( -2.435 2.765 -6.991) 7.903 12.841 ( -4.296 -6.884 -3.881) 8.995 12.904 ( -7.211 -8.392 -1.696) 11.194 13.061 ( -10.951 0.884 -3.015) 11.393 13.109 ( -12.097 -2.938 -2.290) 12.658 13.497 ( -5.032 10.056 -0.713) 11.267 13.687 ( 0.594 -6.751 -0.099) 6.778 13.902 ( 2.866 4.444 4.704) 7.077 13.944 ( -2.151 4.634 4.286) 6.669 14.114 ( -6.891 2.719 0.376) 7.418 14.271 ( 4.470 -4.808 5.841) 8.787 14.635 ( 1.926 25.593 0.187) 25.666 14.773 ( 3.134 5.604 -4.314) 7.736 14.815 ( 8.035 -2.732 -2.185) 8.763 15.272 ( 0.385 -7.759 0.222) 7.772 15.365 ( 9.459 -15.015 -4.067) 18.206 15.443 ( 3.119 -6.361 -0.975) 7.151 15.552 ( 6.734 -0.156 -1.391) 6.878 15.640 ( 8.325 -7.610 0.584) 11.294 15.912 ( -2.727 1.262 7.316) 7.909 15.964 ( 0.815 -4.053 6.877) 8.024 16.498 ( 12.320 3.248 -9.113) 15.664 16.607 ( 8.173 -7.050 -4.701) 11.773 16.795 ( -7.457 5.139 -5.799) 10.754 16.866 ( -7.342 -1.447 -5.828) 9.485 17.770 ( 25.759 14.461 7.482) 30.473 18.006 ( 29.528 -8.938 8.935) 32.118 20.132 ( 1.195 3.767 -0.744) 4.022 20.177 ( 4.225 1.575 -2.387) 5.102 20.261 ( 2.335 -1.382 2.374) 3.605 20.332 ( 4.970 -5.990 -1.537) 7.934 20.626 ( 1.427 2.533 4.886) 5.686 20.653 ( 0.396 0.306 2.167) 2.224 20.841 ( 1.210 4.816 6.548) 8.218 20.959 ( 0.774 -4.064 5.011) 6.498 21.004 ( -3.608 2.960 -3.092) 5.598 21.057 ( -4.420 -2.987 -4.480) 6.966 21.276 ( -0.053 3.509 0.822) 3.604 21.321 ( -1.701 0.826 -0.401) 1.933 21.404 ( 6.802 -0.482 -0.635) 6.848 21.456 ( 6.056 -3.290 0.084) 6.892 21.664 ( 4.565 4.091 2.473) 6.610 21.724 ( 2.211 -0.875 1.633) 2.884 21.991 ( -1.338 0.894 0.148) 1.616 22.003 ( -0.071 -0.226 -3.132) 3.141 22.075 ( 6.966 7.177 -1.818) 10.166 22.188 ( 5.012 4.357 1.674) 6.849 22.223 ( 5.287 -2.990 -2.222) 6.468 22.267 ( 6.582 -4.136 3.477) 8.515 22.520 ( 3.588 -0.016 -4.020) 5.388 22.606 ( 5.044 -6.316 -1.179) 8.168 23.342 ( -5.362 3.781 -3.544) 7.457 23.420 ( -4.917 -3.735 -4.962) 7.921 23.748 ( -5.635 1.701 1.930) 6.194 23.762 ( -3.931 0.701 4.077) 5.707 24.360 ( -13.316 6.117 0.175) 14.655 24.483 ( -7.603 -5.202 0.633) 9.234 24.709 ( -3.766 1.086 0.341) 3.934 24.721 ( -3.719 -0.054 4.533) 5.864 24.886 ( -6.044 1.075 -3.014) 6.839 24.928 ( -2.185 -2.743 -8.687) 9.368 25.123 ( -2.230 1.428 2.584) 3.700 25.159 ( -1.346 -1.830 2.459) 3.347 25.411 ( -6.187 6.574 4.950) 10.296 25.558 ( -5.489 -7.159 5.075) 10.350 25.759 ( -3.829 2.516 -1.805) 4.925 25.822 ( -1.708 -2.643 -1.920) 3.687 26.132 ( -2.684 2.714 -1.344) 4.047 26.164 ( -1.388 1.445 -2.218) 2.990 26.215 ( -4.611 1.472 -1.492) 5.065 26.265 ( 0.429 -0.602 -2.949) 3.040 26.385 ( -2.376 6.432 -0.535) 6.877 26.490 ( 0.806 1.891 -2.509) 3.244 26.579 ( 1.281 1.206 -2.426) 2.997 26.716 ( 3.060 -6.439 1.463) 7.278 26.834 ( 1.640 -3.132 0.529) 3.575 26.884 ( 2.185 -6.745 3.644) 7.972 27.068 ( 1.456 2.621 -1.075) 3.185 27.135 ( 2.678 -4.015 -0.354) 4.839 27.580 ( -10.343 0.994 10.502) 14.773 27.618 ( -9.916 -2.523 8.577) 13.351 28.215 ( 3.423 3.126 -17.406) 18.013 28.275 ( 3.548 -2.814 -18.762) 19.301 28.791 ( -11.714 4.658 14.213) 18.998 28.899 ( -10.074 -6.011 17.181) 20.804 29.646 ( 7.893 4.885 -5.453) 10.765 29.730 ( 9.695 -2.862 -6.369) 11.948 ======================= Grid point 83 (47/78) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.865 12.812 13.438) 18.587 1.496 ( -1.772 3.809 0.448) 4.225 1.690 ( -2.456 -2.201 -6.975) 7.715 1.769 ( 3.773 -5.755 7.795) 10.398 2.084 ( -9.049 11.320 1.483) 14.568 2.197 ( -0.480 10.274 -5.809) 11.812 2.305 ( 1.074 -3.100 1.193) 3.491 2.463 ( -9.387 -12.155 -7.753) 17.204 2.690 ( -15.212 5.466 0.437) 16.170 2.807 ( -12.733 -6.116 4.334) 14.775 2.942 ( -7.991 9.619 0.913) 12.539 3.056 ( -11.969 -0.642 0.752) 12.009 3.106 ( -7.905 2.828 1.167) 8.477 3.213 ( -0.234 -5.996 2.756) 6.603 3.370 ( -7.379 4.085 -5.139) 9.877 3.459 ( -3.567 -4.136 -3.537) 6.507 3.647 ( -14.038 19.496 8.100) 25.353 3.853 ( -4.758 2.660 -3.696) 6.586 3.904 ( -2.992 -0.427 -2.570) 3.968 4.008 ( -3.346 -7.122 9.252) 12.146 4.136 ( -0.409 4.328 -0.211) 4.352 4.205 ( -6.438 1.811 -2.279) 7.066 4.271 ( -2.440 -3.536 -5.149) 6.706 4.356 ( -0.202 -6.568 1.082) 6.659 4.628 ( -2.957 11.072 -1.339) 11.538 4.856 ( -7.136 -10.269 -6.012) 13.875 5.301 ( -0.763 9.778 0.917) 9.850 5.527 ( -8.168 -6.681 3.973) 11.275 5.695 ( -8.934 -6.131 7.590) 13.229 5.710 ( -13.831 -2.608 5.628) 15.158 6.303 ( -9.635 9.997 2.169) 14.052 6.517 ( -15.147 -10.236 5.920) 19.216 6.855 ( -10.045 5.868 0.585) 11.648 6.966 ( -2.713 -3.272 -0.695) 4.306 7.156 ( -20.396 5.105 -2.548) 21.179 7.275 ( -10.889 -6.757 -5.528) 13.957 7.457 ( -7.477 5.611 -5.078) 10.639 7.586 ( 0.169 -4.514 -0.924) 4.611 7.733 ( 3.821 6.406 -6.403) 9.830 7.863 ( 2.745 0.110 -3.086) 4.132 7.941 ( -2.213 3.680 -2.736) 5.092 8.060 ( -1.243 -6.321 -5.376) 8.390 8.337 ( -8.280 2.445 5.567) 10.272 8.454 ( -4.608 -7.543 1.983) 9.059 8.790 ( 5.887 11.607 17.508) 21.815 9.014 ( 5.804 -9.562 9.311) 14.554 9.256 ( 1.259 5.162 -8.201) 9.772 9.474 ( -2.207 -11.783 -7.187) 13.977 9.507 ( 4.610 5.210 -0.094) 6.957 9.663 ( 2.039 -7.611 -2.975) 8.422 9.928 ( 4.627 0.709 -5.964) 7.582 10.055 ( 5.807 -8.125 -8.903) 13.379 10.231 ( 3.320 5.391 7.011) 9.447 10.280 ( -6.462 1.767 7.747) 10.242 10.452 ( -5.073 4.712 -5.953) 9.131 10.553 ( -4.288 -1.167 -4.522) 6.340 10.705 ( -4.666 -1.257 2.972) 5.673 10.759 ( 0.094 -2.529 3.037) 3.953 10.978 ( -0.364 0.401 -1.347) 1.452 11.063 ( -0.684 -7.488 -9.294) 11.955 11.271 ( 2.797 0.046 0.706) 2.885 11.299 ( 1.439 -3.212 4.136) 5.431 11.740 ( 7.412 4.212 8.028) 11.710 11.764 ( 7.909 0.958 3.782) 8.819 11.946 ( -3.242 8.253 4.621) 9.999 12.007 ( -4.868 1.850 5.608) 7.653 12.118 ( 2.635 0.245 1.323) 2.959 12.167 ( -6.080 -1.661 7.579) 9.857 12.395 ( -2.733 2.764 -1.369) 4.121 12.514 ( -4.950 -2.760 -11.305) 12.647 12.736 ( -3.706 -4.903 -7.190) 9.459 12.780 ( -2.356 -4.099 -10.204) 11.246 12.914 ( -4.500 -1.309 6.724) 8.196 12.932 ( -6.630 -2.339 1.279) 7.146 13.485 ( 1.928 11.512 1.794) 11.809 13.697 ( -0.073 -6.859 0.413) 6.872 13.896 ( -4.162 3.346 -0.950) 5.424 13.951 ( -7.832 -1.725 -2.627) 8.439 13.977 ( 1.183 16.021 -0.626) 16.077 14.340 ( -1.105 -11.520 2.212) 11.783 14.639 ( -0.164 25.139 -3.042) 25.323 14.855 ( 10.241 5.000 -4.592) 12.286 14.947 ( 9.696 -0.976 0.160) 9.746 15.294 ( 0.961 -5.798 3.092) 6.641 15.487 ( 5.655 -7.002 -1.317) 9.097 15.508 ( 6.329 -13.125 -1.773) 14.679 15.648 ( 3.887 1.607 1.063) 4.338 15.769 ( 9.028 -10.533 -1.231) 13.927 15.927 ( -4.294 3.057 7.642) 9.284 16.002 ( -3.537 -5.186 6.327) 8.913 16.608 ( -8.507 4.391 -4.139) 10.430 16.676 ( -8.143 -1.969 -3.106) 8.935 16.708 ( 16.749 0.864 -2.512) 16.958 16.764 ( 12.334 -4.436 -1.422) 13.185 18.234 ( 21.754 18.003 2.268) 28.328 18.529 ( 23.598 -11.156 2.808) 26.253 20.133 ( 0.532 3.681 -0.773) 3.799 20.205 ( 1.697 -2.612 -1.863) 3.629 20.315 ( 2.029 0.945 0.335) 2.263 20.363 ( -1.280 -3.116 -1.464) 3.673 20.669 ( 1.913 2.257 1.742) 3.433 20.690 ( 1.559 0.079 1.831) 2.406 20.868 ( -1.678 2.767 -3.750) 4.954 20.910 ( -3.032 -0.434 -1.416) 3.375 20.947 ( 1.816 3.811 1.038) 4.347 21.074 ( 2.210 -7.940 5.721) 10.032 21.334 ( 2.119 3.121 3.901) 5.427 21.342 ( 1.062 0.743 2.424) 2.749 21.500 ( 5.733 2.257 -2.272) 6.567 21.579 ( 7.608 -4.529 -0.974) 8.908 21.753 ( 1.599 2.609 -0.429) 3.090 21.785 ( 4.528 0.427 1.557) 4.808 21.965 ( -1.273 1.378 -0.058) 1.877 21.997 ( 0.379 -0.507 1.281) 1.429 22.207 ( 10.502 6.157 -4.381) 12.938 22.283 ( 5.996 -0.320 -1.986) 6.324 22.340 ( 9.499 7.730 4.718) 13.125 22.485 ( 11.487 -1.268 7.156) 13.593 22.565 ( 7.750 -2.318 -4.225) 9.126 22.671 ( 5.961 -6.564 -4.400) 9.898 23.217 ( -4.829 1.209 -3.810) 6.269 23.256 ( -5.887 -2.731 -7.451) 9.881 23.612 ( -12.171 3.034 0.731) 12.565 23.673 ( -10.682 -2.418 2.413) 11.215 24.085 ( -17.644 10.747 -1.497) 20.714 24.309 ( -13.553 -10.343 -0.520) 17.057 24.645 ( -2.862 2.421 -1.087) 3.904 24.674 ( -6.762 0.048 5.206) 8.535 24.755 ( -7.703 -0.916 0.772) 7.796 24.784 ( -4.474 -4.336 -8.393) 10.452 25.105 ( -2.587 1.992 2.179) 3.925 25.141 ( -3.020 -1.304 1.555) 3.639 25.332 ( -7.721 5.653 3.935) 10.347 25.480 ( -9.519 -8.888 5.781) 14.248 25.686 ( -2.620 3.486 -1.529) 4.621 25.780 ( -0.959 -4.961 -1.584) 5.295 26.098 ( 0.208 2.349 -0.717) 2.465 26.131 ( -1.436 0.061 -0.145) 1.444 26.190 ( 1.528 6.648 1.252) 6.935 26.278 ( 2.860 3.242 -2.219) 4.860 26.351 ( -0.793 2.474 1.443) 2.972 26.484 ( 0.663 -3.701 -1.813) 4.174 26.578 ( 1.903 5.025 -2.162) 5.792 26.755 ( 0.369 -8.518 -0.200) 8.529 26.872 ( 0.750 0.865 2.294) 2.563 26.951 ( 0.696 -5.429 3.337) 6.411 27.063 ( 0.990 2.498 -3.626) 4.513 27.142 ( -0.049 -4.802 -2.776) 5.547 27.473 ( -11.829 0.125 7.121) 13.808 27.502 ( -12.217 -2.333 7.161) 14.352 28.096 ( 4.494 2.420 -20.898) 21.512 28.131 ( 4.372 -1.220 -22.486) 22.940 28.755 ( -11.319 6.612 19.136) 23.195 28.909 ( -11.033 -8.952 22.012) 26.199 29.752 ( 9.310 6.381 -4.118) 12.015 29.869 ( 11.903 -4.328 -4.260) 13.363 ======================= Grid point 84 (48/78) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -2.873 9.507 -4.166) 10.770 1.564 ( -3.279 -2.486 -8.275) 9.242 1.578 ( 0.609 18.165 11.886) 21.717 1.808 ( -11.227 19.339 4.759) 22.863 1.957 ( 0.189 -13.099 2.866) 13.410 2.156 ( -8.982 4.152 2.954) 10.327 2.248 ( -10.190 -2.559 -2.967) 10.917 2.401 ( 2.663 4.659 6.020) 8.065 2.491 ( -2.732 6.830 7.204) 10.296 2.599 ( -16.173 -7.339 10.470) 20.617 2.851 ( -1.259 3.253 -3.669) 5.063 2.867 ( -7.429 6.626 1.708) 10.100 3.048 ( -3.553 5.215 0.363) 6.320 3.168 ( -5.354 -5.435 -0.591) 7.652 3.266 ( -2.756 0.800 0.141) 2.874 3.349 ( -5.574 -7.933 -2.573) 10.031 3.543 ( -8.687 9.198 9.219) 15.654 3.657 ( -8.319 0.254 -1.303) 8.424 3.795 ( -5.711 3.851 0.382) 6.899 3.975 ( -8.734 -8.862 -0.190) 12.444 4.093 ( 1.038 1.756 -3.729) 4.251 4.097 ( 1.095 -1.388 -0.394) 1.812 4.316 ( 3.595 7.009 3.739) 8.719 4.438 ( 2.875 -4.868 2.642) 6.241 4.614 ( 0.448 6.059 0.814) 6.130 4.726 ( -2.180 -3.686 -5.099) 6.659 5.223 ( -1.816 8.319 -7.780) 11.534 5.423 ( -4.216 -8.130 -2.376) 9.461 5.646 ( -8.056 -2.758 18.979) 20.802 5.694 ( -3.718 -6.830 11.554) 13.927 6.095 ( -12.468 5.086 -0.565) 13.477 6.249 ( -18.810 -9.589 4.470) 21.581 6.658 ( -21.077 0.330 -2.881) 21.276 6.676 ( -15.668 -1.323 2.346) 15.897 7.027 ( 1.644 14.336 2.283) 14.609 7.181 ( 2.698 -2.538 1.341) 3.939 7.301 ( -3.497 4.224 -2.400) 5.986 7.608 ( 2.349 -15.502 1.353) 15.737 7.754 ( 3.963 7.677 -5.599) 10.295 7.870 ( -1.496 7.640 5.283) 9.408 7.953 ( 3.726 -8.791 -7.977) 12.442 8.034 ( 7.641 0.300 -8.938) 11.762 8.332 ( 0.894 0.638 3.425) 3.597 8.455 ( 2.734 -5.705 -4.220) 7.605 8.955 ( -0.647 5.974 5.611) 8.221 9.097 ( -1.136 -3.801 -0.957) 4.081 9.192 ( 1.142 3.900 -5.543) 6.873 9.332 ( -5.311 -7.698 -6.179) 11.209 9.593 ( 3.107 7.326 1.092) 8.033 9.701 ( 5.447 -1.031 -3.131) 6.366 9.992 ( 9.069 -2.089 -3.503) 9.944 10.016 ( -1.940 -1.721 -6.577) 7.070 10.230 ( -2.827 -0.954 -8.521) 9.028 10.240 ( -6.757 -2.486 -7.166) 10.158 10.335 ( -0.452 5.921 3.283) 6.786 10.544 ( -2.067 -12.287 0.004) 12.459 10.612 ( 1.317 10.524 -2.768) 10.962 10.782 ( -0.882 -4.014 4.707) 6.248 10.974 ( 1.705 -0.358 -0.301) 1.768 11.062 ( 6.233 -9.636 -0.060) 11.476 11.239 ( -5.206 -0.392 1.231) 5.364 11.296 ( -3.791 -5.642 -1.787) 7.028 11.846 ( -3.106 7.030 1.183) 7.776 11.895 ( 0.395 1.209 4.398) 4.578 12.003 ( -0.347 6.666 7.539) 10.070 12.025 ( -1.617 6.127 3.713) 7.345 12.125 ( 0.638 -4.249 3.209) 5.363 12.210 ( -1.539 -1.796 12.295) 12.521 12.328 ( -1.649 -1.063 -8.895) 9.108 12.424 ( 3.975 -7.545 4.219) 9.515 12.563 ( -4.111 2.599 -11.852) 12.811 12.618 ( -2.871 -1.037 -9.387) 9.871 12.905 ( -1.532 4.218 10.420) 11.345 13.041 ( 4.464 -9.014 11.716) 15.441 13.546 ( 2.858 9.553 -1.234) 10.047 13.673 ( -2.575 1.320 -2.977) 4.151 13.787 ( -6.882 8.445 1.605) 11.012 13.820 ( -0.568 -5.309 -4.783) 7.169 13.998 ( 0.835 8.759 -0.707) 8.827 14.311 ( -1.460 -13.438 -3.116) 13.872 14.606 ( 0.953 28.028 -3.826) 28.304 14.970 ( 9.817 -2.262 -5.971) 11.711 15.135 ( 9.585 2.707 1.238) 10.037 15.350 ( 0.708 -6.637 4.191) 7.881 15.498 ( -2.075 -4.840 -1.842) 5.579 15.564 ( 1.587 -17.025 -2.834) 17.332 15.728 ( 4.627 7.551 1.199) 8.937 15.864 ( -1.621 -3.068 1.316) 3.711 15.925 ( -1.597 2.246 4.547) 5.317 16.049 ( 3.154 -13.796 5.548) 15.200 16.441 ( -5.136 4.475 -3.687) 7.746 16.504 ( -5.962 -1.994 -4.650) 7.819 16.983 ( 9.144 0.400 7.411) 11.777 17.005 ( 11.609 -1.654 11.033) 16.100 18.501 ( 11.126 19.108 -6.655) 23.091 18.816 ( 11.187 -12.018 -5.918) 17.453 20.149 ( 0.954 3.558 1.623) 4.026 20.219 ( -0.550 -2.811 2.792) 4.000 20.280 ( -3.770 0.828 0.493) 3.891 20.327 ( -1.615 -3.436 0.147) 3.799 20.735 ( 3.481 2.565 -1.163) 4.478 20.756 ( 4.110 1.230 1.598) 4.579 20.823 ( 0.839 2.152 -3.971) 4.594 20.884 ( 3.141 -2.635 -3.571) 5.437 21.001 ( -0.005 5.456 3.212) 6.332 21.133 ( -1.126 -6.077 1.758) 6.426 21.340 ( -1.513 -0.189 -0.597) 1.638 21.366 ( -1.661 -1.838 0.169) 2.483 21.589 ( 6.894 4.308 -1.921) 8.353 21.673 ( 4.366 -4.190 -1.387) 6.208 21.750 ( 0.791 3.131 -2.102) 3.853 21.832 ( 1.206 -4.157 -2.541) 5.019 21.961 ( -0.599 3.468 2.034) 4.065 22.031 ( 1.907 -2.584 0.914) 3.339 22.277 ( 5.708 9.266 -9.566) 14.489 22.387 ( 8.724 -2.539 -6.903) 11.411 22.561 ( 9.445 9.225 -2.252) 13.393 22.630 ( 9.303 3.545 -9.430) 13.713 22.790 ( 14.874 -1.164 6.279) 16.187 22.863 ( 17.382 -5.384 4.502) 18.746 23.090 ( -3.784 2.481 -3.144) 5.510 23.155 ( -0.296 -3.701 -0.300) 3.725 23.380 ( -13.674 1.827 0.481) 13.804 23.448 ( -17.780 -4.783 2.928) 18.643 23.775 ( -17.667 9.741 2.996) 20.396 24.004 ( -23.070 -13.266 6.329) 27.355 24.578 ( -8.197 4.050 4.560) 10.217 24.617 ( -0.397 2.918 -1.220) 3.188 24.655 ( -4.980 -2.704 2.871) 6.353 24.704 ( 0.143 -5.209 1.965) 5.569 25.082 ( -1.956 1.101 1.294) 2.591 25.098 ( -2.832 -0.169 0.758) 2.936 25.247 ( -5.610 5.246 2.544) 8.092 25.375 ( -8.228 -7.675 4.946) 12.291 25.635 ( -0.705 4.681 -3.788) 6.063 25.759 ( 0.262 -6.865 -2.063) 7.173 26.116 ( 0.528 2.597 2.197) 3.442 26.140 ( 1.115 1.108 2.411) 2.878 26.221 ( -1.341 5.990 1.846) 6.410 26.283 ( 2.133 12.911 -1.779) 13.206 26.393 ( 0.337 -7.246 1.435) 7.395 26.505 ( 5.993 -4.688 -1.482) 7.752 26.608 ( 3.430 3.398 -2.523) 5.448 26.707 ( -4.216 -6.523 -1.686) 7.947 26.899 ( -0.469 2.491 2.765) 3.751 26.959 ( -2.086 -2.931 1.161) 3.780 27.034 ( -1.260 1.775 -3.530) 4.147 27.114 ( 1.346 -3.710 -2.970) 4.940 27.336 ( -8.392 -1.478 2.007) 8.755 27.352 ( -10.225 -3.834 1.931) 11.090 27.970 ( 6.301 5.344 -21.384) 22.924 28.043 ( 7.514 -2.023 -17.534) 19.183 28.774 ( -9.868 7.639 21.753) 25.079 28.950 ( -11.230 -10.478 25.727) 29.963 29.854 ( 6.820 7.751 -4.485) 11.256 30.014 ( 9.098 -7.403 -4.755) 12.656 ======================= Grid point 105 (49/78) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -1.232 0.000 17.061) 17.105 1.297 ( 1.026 0.000 11.512) 11.558 1.696 ( -2.746 0.000 4.289) 5.093 1.703 ( -3.365 0.000 2.507) 4.196 1.931 ( -1.579 0.000 12.536) 12.635 2.085 ( -9.188 0.000 8.401) 12.450 2.215 ( 5.306 0.000 -11.852) 12.985 2.272 ( 10.944 0.000 -11.730) 16.042 2.434 ( -1.705 0.000 11.115) 11.245 2.610 ( 2.271 0.000 -1.129) 2.536 2.764 ( 3.191 0.000 8.614) 9.186 2.817 ( -4.409 0.000 0.003) 4.409 2.975 ( -3.553 0.000 32.312) 32.507 3.215 ( 4.433 0.000 -0.529) 4.464 3.251 ( -3.627 0.000 2.319) 4.305 3.276 ( -0.928 0.000 -5.959) 6.031 3.454 ( 8.256 0.000 -3.732) 9.061 3.769 ( -1.541 0.000 4.626) 4.876 3.775 ( 0.462 0.000 -10.462) 10.472 3.866 ( -5.979 0.000 -4.994) 7.790 3.976 ( 7.183 0.000 0.553) 7.204 4.076 ( -6.361 0.000 -6.137) 8.839 4.258 ( 5.399 0.000 20.024) 20.739 4.471 ( -3.832 0.000 -6.025) 7.141 4.674 ( 4.427 0.000 6.199) 7.617 4.780 ( -6.331 0.000 -4.038) 7.509 4.846 ( 4.476 0.000 3.226) 5.517 5.193 ( -0.973 0.000 -30.229) 30.245 5.742 ( -4.658 0.000 8.791) 9.949 5.974 ( 0.512 0.000 -14.455) 14.464 6.368 ( 0.584 0.000 33.715) 33.720 6.511 ( -0.011 0.000 8.968) 8.968 6.639 ( 0.069 0.000 -5.429) 5.429 6.702 ( -6.738 0.000 34.949) 35.592 6.961 ( -7.057 0.000 17.203) 18.594 7.079 ( 7.573 0.000 -33.118) 33.972 7.188 ( 3.283 0.000 -14.127) 14.504 7.548 ( 4.165 0.000 -40.418) 40.632 7.603 ( 7.292 0.000 17.647) 19.094 7.864 ( -3.820 0.000 15.419) 15.885 8.007 ( -10.946 0.000 -23.521) 25.943 8.135 ( 3.713 0.000 -10.077) 10.739 8.311 ( 3.568 0.000 24.330) 24.590 8.505 ( -6.662 0.000 22.095) 23.077 8.756 ( 3.559 0.000 -20.807) 21.109 8.922 ( 6.912 0.000 -19.633) 20.814 9.016 ( -2.934 0.000 10.086) 10.504 9.280 ( -12.624 0.000 -11.418) 17.022 9.439 ( 4.466 0.000 -6.221) 7.658 9.450 ( 2.476 0.000 -2.467) 3.495 9.834 ( 8.089 0.000 16.874) 18.713 10.007 ( -2.199 0.000 -1.795) 2.838 10.245 ( 4.516 0.000 1.940) 4.915 10.347 ( -5.199 0.000 -2.966) 5.986 10.471 ( -5.087 0.000 -1.833) 5.407 10.583 ( 3.331 0.000 -13.726) 14.124 10.814 ( 7.700 0.000 5.622) 9.534 10.856 ( 0.055 0.000 0.519) 0.522 11.068 ( 1.486 0.000 -2.363) 2.791 11.135 ( -10.414 0.000 -7.985) 13.123 11.339 ( -4.906 0.000 7.388) 8.869 11.396 ( 8.798 0.000 3.555) 9.489 11.656 ( -16.429 0.000 4.193) 16.956 11.784 ( 6.677 0.000 -6.386) 9.239 11.905 ( 2.122 0.000 7.297) 7.599 12.117 ( 2.911 0.000 4.837) 5.645 12.204 ( -7.484 0.000 -14.579) 16.388 12.250 ( 3.024 0.000 -4.421) 5.356 12.471 ( -2.012 0.000 6.292) 6.606 12.520 ( 4.785 0.000 2.187) 5.262 12.663 ( 11.926 0.000 7.492) 14.084 12.829 ( -10.051 0.000 -7.476) 12.526 12.867 ( -5.023 0.000 9.151) 10.439 13.015 ( 4.658 0.000 -3.245) 5.677 13.295 ( 3.040 0.000 14.102) 14.426 13.542 ( -1.479 0.000 -4.137) 4.393 13.760 ( -6.975 0.000 -6.628) 9.622 13.771 ( 7.595 0.000 -2.495) 7.994 13.993 ( -6.601 0.000 11.724) 13.455 14.102 ( 2.575 0.000 4.151) 4.884 14.105 ( 1.095 0.000 -6.051) 6.149 14.413 ( 2.667 0.000 -20.509) 20.681 15.470 ( 8.453 0.000 5.023) 9.833 15.566 ( -4.589 0.000 -2.142) 5.064 15.653 ( 1.812 0.000 4.496) 4.847 15.789 ( -5.525 0.000 -6.808) 8.768 15.820 ( -7.287 0.000 4.592) 8.614 15.857 ( 3.272 0.000 0.383) 3.294 16.161 ( 3.895 0.000 4.090) 5.648 16.272 ( -1.185 0.000 -6.914) 7.015 16.604 ( 1.816 0.000 29.516) 29.572 17.079 ( -1.566 0.000 1.133) 1.933 17.081 ( 1.740 0.000 0.520) 1.816 17.185 ( -0.372 0.000 -27.896) 27.898 17.987 ( 5.462 0.000 34.232) 34.665 18.615 ( -6.192 0.000 -28.336) 29.004 20.171 ( 2.650 0.000 6.184) 6.728 20.301 ( -0.280 0.000 -6.618) 6.624 20.311 ( -5.834 0.000 9.187) 10.883 20.486 ( 4.045 0.000 -7.921) 8.894 20.617 ( 3.479 0.000 1.157) 3.666 20.642 ( -6.561 0.000 -1.692) 6.776 20.718 ( -3.820 0.000 9.006) 9.782 20.870 ( 8.839 0.000 -4.975) 10.143 20.966 ( -2.614 0.000 1.213) 2.881 21.025 ( -0.306 0.000 -4.752) 4.762 21.147 ( 0.440 0.000 6.077) 6.093 21.295 ( 0.983 0.000 -9.895) 9.943 21.567 ( 0.103 0.000 -1.771) 1.774 21.573 ( -2.528 0.000 -3.134) 4.026 21.760 ( 2.667 0.000 2.369) 3.567 21.813 ( -2.436 0.000 -2.775) 3.692 21.922 ( -4.045 0.000 8.389) 9.313 21.944 ( -1.463 0.000 4.171) 4.420 22.047 ( 2.453 0.000 -5.906) 6.395 22.065 ( 7.207 0.000 -5.004) 8.774 22.461 ( 5.652 0.000 -1.917) 5.968 22.473 ( -5.866 0.000 -2.556) 6.399 23.047 ( -3.814 0.000 1.069) 3.961 23.053 ( 4.444 0.000 1.020) 4.559 23.236 ( -4.437 0.000 3.014) 5.364 23.248 ( -0.127 0.000 2.072) 2.076 23.458 ( -10.689 0.000 2.983) 11.098 23.488 ( 18.009 0.000 -1.556) 18.076 23.651 ( 2.566 0.000 14.901) 15.121 23.967 ( -4.852 0.000 -14.285) 15.086 24.611 ( 1.088 0.000 3.769) 3.923 24.667 ( -1.913 0.000 -1.524) 2.446 24.743 ( 2.589 0.000 5.737) 6.294 24.858 ( -3.842 0.000 -6.214) 7.306 25.087 ( -3.326 0.000 0.513) 3.366 25.088 ( 2.663 0.000 0.326) 2.683 25.255 ( 6.441 0.000 1.960) 6.732 25.335 ( -1.074 0.000 -6.225) 6.317 25.827 ( 1.321 0.000 0.645) 1.471 25.845 ( -1.592 0.000 -1.342) 2.083 26.079 ( -1.815 0.000 2.840) 3.370 26.133 ( 1.485 0.000 -2.353) 2.782 26.257 ( 1.684 0.000 5.633) 5.880 26.365 ( -0.692 0.000 -4.538) 4.590 26.406 ( -4.386 0.000 10.112) 11.023 26.601 ( 3.867 0.000 -8.088) 8.965 26.647 ( -3.062 0.000 3.649) 4.763 26.692 ( 12.200 0.000 3.644) 12.733 26.727 ( -5.016 0.000 -4.464) 6.714 26.787 ( -6.882 0.000 -6.042) 9.158 27.009 ( -8.728 0.000 3.536) 9.418 27.048 ( 9.355 0.000 -0.762) 9.386 27.277 ( 10.238 0.000 2.283) 10.489 27.315 ( -7.162 0.000 -1.387) 7.295 27.825 ( -5.493 0.000 2.333) 5.968 27.891 ( 7.893 0.000 -4.793) 9.235 29.012 ( -5.992 0.000 19.662) 20.555 29.367 ( 4.334 0.000 -16.235) 16.804 30.006 ( 8.589 0.000 1.120) 8.662 30.027 ( -14.788 0.000 -1.072) 14.827 ======================= Grid point 106 (50/78) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.258 0.000 4.633) 4.640 1.344 ( 2.101 0.000 -2.831) 3.525 1.762 ( 6.837 0.000 5.218) 8.601 1.872 ( 7.113 0.000 -9.647) 11.985 1.995 ( 1.322 0.000 22.066) 22.106 2.111 ( 4.946 0.000 7.219) 8.751 2.240 ( 14.642 0.000 -13.103) 19.649 2.339 ( 6.710 0.000 -11.069) 12.944 2.595 ( 4.509 0.000 -7.638) 8.870 2.620 ( 9.863 0.000 9.411) 13.633 2.754 ( -2.186 0.000 -4.145) 4.686 2.910 ( 6.713 0.000 1.653) 6.913 3.161 ( -0.963 0.000 2.687) 2.855 3.222 ( -0.932 0.000 -1.833) 2.056 3.225 ( 2.581 0.000 7.705) 8.126 3.372 ( 10.458 0.000 7.101) 12.640 3.561 ( 5.479 0.000 -30.294) 30.785 3.697 ( 1.400 0.000 6.060) 6.219 3.806 ( 0.293 0.000 -1.675) 1.701 3.877 ( 7.417 0.000 14.085) 15.919 3.917 ( -0.600 0.000 -3.268) 3.323 4.124 ( 5.106 0.000 1.056) 5.214 4.347 ( -1.678 0.000 -5.384) 5.640 4.468 ( 2.795 0.000 6.173) 6.776 4.600 ( -7.023 0.000 -5.608) 8.987 4.867 ( 4.577 0.000 -1.177) 4.726 4.978 ( 3.745 0.000 -21.877) 22.195 4.979 ( 6.531 0.000 25.311) 26.140 5.959 ( 11.427 0.000 19.815) 22.873 6.056 ( 20.987 0.000 -11.605) 23.982 6.575 ( -3.826 0.000 -20.827) 21.176 6.607 ( -1.001 0.000 23.552) 23.573 6.743 ( 10.260 0.000 15.738) 18.787 6.849 ( 11.286 0.000 -28.434) 30.592 6.918 ( -5.139 0.000 18.557) 19.256 7.087 ( -1.410 0.000 32.832) 32.862 7.190 ( 13.440 0.000 -15.954) 20.860 7.225 ( 3.056 0.000 -32.646) 32.788 7.550 ( -16.987 0.000 -17.671) 24.512 7.836 ( -4.298 0.000 25.748) 26.104 7.991 ( 1.562 0.000 14.045) 14.131 8.104 ( 5.020 0.000 -12.738) 13.692 8.442 ( -10.213 0.000 11.728) 15.552 8.468 ( -6.933 0.000 -23.513) 24.513 8.692 ( 3.238 0.000 24.712) 24.923 8.897 ( 11.502 0.000 -23.487) 26.152 9.024 ( -5.321 0.000 -10.003) 11.330 9.097 ( -1.120 0.000 21.931) 21.960 9.556 ( 8.398 0.000 1.857) 8.601 9.578 ( 8.277 0.000 -2.943) 8.784 9.952 ( 3.825 0.000 -15.827) 16.282 10.100 ( 13.645 0.000 1.144) 13.693 10.294 ( 5.620 0.000 -6.370) 8.494 10.334 ( -9.681 0.000 12.107) 15.502 10.487 ( 12.880 0.000 3.872) 13.450 10.547 ( 2.294 0.000 0.641) 2.382 10.742 ( -7.455 0.000 -6.007) 9.574 10.832 ( -6.190 0.000 -5.891) 8.546 10.968 ( -6.241 0.000 -1.232) 6.361 11.244 ( 11.749 0.000 10.264) 15.601 11.336 ( -0.819 0.000 0.923) 1.234 11.354 ( -9.412 0.000 4.485) 10.426 11.637 ( 1.348 0.000 5.290) 5.459 11.883 ( 8.448 0.000 1.235) 8.538 11.883 ( -11.950 0.000 -11.231) 16.400 11.939 ( -7.396 0.000 9.079) 11.710 12.233 ( 2.169 0.000 5.008) 5.458 12.252 ( 1.071 0.000 -5.203) 5.312 12.455 ( -3.775 0.000 -8.762) 9.541 12.529 ( 2.147 0.000 4.218) 4.733 12.719 ( 3.235 0.000 -7.027) 7.736 12.869 ( -1.897 0.000 5.122) 5.462 12.897 ( 6.701 0.000 7.907) 10.365 13.042 ( 3.591 0.000 -5.568) 6.626 13.392 ( -2.891 0.000 -15.644) 15.909 13.482 ( 1.960 0.000 13.863) 14.001 13.620 ( -4.459 0.000 -2.273) 5.005 13.839 ( 2.489 0.000 0.101) 2.491 14.013 ( -3.767 0.000 14.554) 15.033 14.090 ( 3.353 0.000 -5.247) 6.227 14.233 ( 3.725 0.000 8.919) 9.666 14.253 ( -0.176 0.000 -17.273) 17.274 15.385 ( -5.488 0.000 -5.987) 8.122 15.576 ( -4.393 0.000 -8.154) 9.262 15.618 ( -3.589 0.000 4.762) 5.963 15.690 ( -10.741 0.000 6.860) 12.745 15.800 ( 1.294 0.000 4.699) 4.874 15.939 ( 5.549 0.000 1.885) 5.860 16.240 ( 4.945 0.000 -7.427) 8.922 16.327 ( 9.321 0.000 5.248) 10.697 16.806 ( -9.658 0.000 -30.102) 31.613 16.831 ( -7.961 0.000 27.620) 28.745 17.031 ( -4.161 0.000 0.150) 4.163 17.091 ( -1.434 0.000 -0.620) 1.563 18.118 ( -16.377 0.000 -31.550) 35.547 18.304 ( -7.736 0.000 32.668) 33.572 20.200 ( -2.272 0.000 -7.264) 7.611 20.224 ( -3.704 0.000 5.348) 6.505 20.334 ( -1.939 0.000 6.996) 7.260 20.493 ( 4.801 0.000 -7.200) 8.653 20.527 ( -5.745 0.000 1.300) 5.890 20.625 ( -4.304 0.000 4.466) 6.202 20.791 ( 4.436 0.000 1.189) 4.593 20.889 ( 1.234 0.000 -8.944) 9.029 20.978 ( 0.972 0.000 5.885) 5.964 21.010 ( 0.277 0.000 -1.317) 1.346 21.207 ( -0.668 0.000 6.958) 6.989 21.222 ( 2.149 0.000 -8.680) 8.942 21.521 ( -2.371 0.000 1.869) 3.019 21.557 ( -1.348 0.000 2.648) 2.971 21.757 ( -1.291 0.000 -2.175) 2.529 21.854 ( 3.255 0.000 1.366) 3.530 21.862 ( -6.491 0.000 3.246) 7.257 21.929 ( -3.504 0.000 1.532) 3.824 22.061 ( 3.877 0.000 -2.129) 4.423 22.117 ( 6.851 0.000 -8.867) 11.206 22.289 ( -11.516 0.000 0.249) 11.519 22.455 ( -5.363 0.000 0.670) 5.405 22.989 ( -6.333 0.000 0.640) 6.365 23.118 ( -11.891 0.000 1.386) 11.971 23.190 ( 6.440 0.000 1.680) 6.656 23.225 ( 2.212 0.000 -3.309) 3.980 23.446 ( 10.397 0.000 -6.387) 12.202 23.669 ( -1.411 0.000 -2.281) 2.682 23.910 ( 20.543 0.000 -12.415) 24.003 23.926 ( 8.413 0.000 18.219) 20.068 24.615 ( -1.897 0.000 -2.607) 3.224 24.674 ( 1.811 0.000 4.081) 4.465 24.765 ( -0.444 0.000 -4.639) 4.660 24.876 ( 5.614 0.000 6.634) 8.690 25.048 ( -2.041 0.000 0.920) 2.238 25.137 ( 1.154 0.000 -1.413) 1.825 25.266 ( 3.260 0.000 -6.620) 7.379 25.321 ( 0.637 0.000 0.792) 1.016 25.779 ( -4.188 0.000 -0.091) 4.189 25.823 ( -2.223 0.000 0.673) 2.323 26.086 ( -0.198 0.000 2.158) 2.167 26.134 ( 1.300 0.000 -2.174) 2.533 26.296 ( -2.030 0.000 -4.537) 4.971 26.344 ( 2.959 0.000 4.609) 5.477 26.433 ( -3.332 0.000 8.231) 8.880 26.537 ( -5.109 0.000 -2.851) 5.850 26.616 ( 2.491 0.000 -12.398) 12.645 26.733 ( 4.569 0.000 0.240) 4.575 26.744 ( 4.846 0.000 6.618) 8.203 26.835 ( 0.170 0.000 3.360) 3.365 27.007 ( 6.361 0.000 1.901) 6.639 27.180 ( -1.562 0.000 -5.164) 5.395 27.251 ( 10.064 0.000 0.153) 10.065 27.509 ( 16.366 0.000 -2.800) 16.603 27.726 ( -8.154 0.000 2.159) 8.435 27.963 ( 6.591 0.000 -6.163) 9.023 29.101 ( -5.871 0.000 18.864) 19.757 29.284 ( 4.815 0.000 -15.964) 16.675 29.750 ( -18.870 0.000 5.520) 19.661 30.114 ( 0.580 0.000 3.403) 3.452 ======================= Grid point 107 (51/78) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -3.503 0.000 -1.905) 3.987 1.396 ( 0.572 0.000 6.343) 6.369 1.748 ( -2.199 0.000 -9.637) 9.884 1.991 ( 11.293 0.000 6.580) 13.070 2.222 ( 8.724 0.000 -3.914) 9.562 2.285 ( 2.948 0.000 -15.031) 15.317 2.359 ( 9.780 0.000 10.099) 14.058 2.377 ( 12.707 0.000 -19.103) 22.943 2.623 ( 8.323 0.000 -6.304) 10.441 2.703 ( 4.133 0.000 -2.190) 4.678 2.831 ( 5.764 0.000 4.717) 7.448 3.047 ( 5.681 0.000 4.737) 7.397 3.210 ( -0.209 0.000 3.766) 3.772 3.210 ( 4.664 0.000 1.636) 4.942 3.305 ( -0.185 0.000 2.443) 2.450 3.520 ( 16.636 0.000 -18.603) 24.957 3.658 ( 12.951 0.000 3.543) 13.427 3.683 ( -1.758 0.000 1.766) 2.492 3.825 ( 2.312 0.000 -0.102) 2.314 3.862 ( -0.963 0.000 1.860) 2.095 4.139 ( 5.043 0.000 -2.451) 5.607 4.197 ( 8.917 0.000 4.765) 10.110 4.331 ( 2.905 0.000 -9.740) 10.164 4.529 ( -1.192 0.000 9.122) 9.200 4.531 ( 1.457 0.000 1.489) 2.083 4.874 ( 6.661 0.000 -17.044) 18.299 4.880 ( 1.543 0.000 -0.674) 1.684 5.414 ( 8.822 0.000 27.654) 29.027 6.122 ( -8.597 0.000 -21.857) 23.487 6.312 ( 14.171 0.000 -22.416) 26.520 6.342 ( 0.030 0.000 30.602) 30.602 6.850 ( 3.780 0.000 -13.963) 14.466 6.864 ( -9.766 0.000 13.700) 16.824 6.881 ( 4.111 0.000 20.896) 21.297 7.033 ( 15.012 0.000 -30.502) 33.996 7.118 ( 9.214 0.000 16.587) 18.974 7.203 ( -5.097 0.000 -5.439) 7.454 7.471 ( 30.549 0.000 -9.520) 31.998 7.483 ( 16.497 0.000 18.793) 25.007 8.000 ( -9.143 0.000 32.180) 33.454 8.049 ( 1.000 0.000 -13.131) 13.169 8.135 ( -0.876 0.000 13.326) 13.354 8.164 ( -0.365 0.000 -18.986) 18.989 8.404 ( 0.120 0.000 4.880) 4.882 8.851 ( 10.947 0.000 -25.635) 27.874 8.914 ( 5.698 0.000 -13.544) 14.694 9.003 ( 5.780 0.000 23.176) 23.886 9.203 ( -7.620 0.000 0.931) 7.676 9.656 ( -0.353 0.000 4.852) 4.864 9.662 ( 5.545 0.000 10.856) 12.190 9.886 ( 6.389 0.000 -14.997) 16.301 10.193 ( -8.594 0.000 7.504) 11.409 10.404 ( 11.726 0.000 -5.654) 13.018 10.425 ( 11.452 0.000 2.195) 11.660 10.541 ( -10.154 0.000 -4.774) 11.220 10.589 ( -5.670 0.000 1.678) 5.913 10.621 ( -7.918 0.000 -5.100) 9.419 10.807 ( 13.650 0.000 8.033) 15.838 10.932 ( 9.009 0.000 -2.149) 9.262 11.158 ( -10.562 0.000 5.946) 12.121 11.338 ( 2.688 0.000 -4.061) 4.870 11.510 ( -5.567 0.000 -11.886) 13.125 11.668 ( 12.268 0.000 10.943) 16.440 11.742 ( -3.643 0.000 4.371) 5.690 11.848 ( -6.769 0.000 2.283) 7.144 12.051 ( 0.705 0.000 8.424) 8.453 12.098 ( -8.743 0.000 -3.216) 9.316 12.181 ( -1.517 0.000 -8.060) 8.202 12.571 ( 12.713 0.000 -18.556) 22.493 12.573 ( -3.345 0.000 6.949) 7.712 12.673 ( -0.470 0.000 12.600) 12.609 12.941 ( 9.710 0.000 -3.727) 10.400 12.943 ( -2.467 0.000 -13.711) 13.931 13.054 ( 4.315 0.000 5.812) 7.239 13.325 ( 7.086 0.000 -4.532) 8.411 13.541 ( -1.299 0.000 -3.022) 3.290 13.609 ( -0.551 0.000 9.069) 9.086 13.872 ( -1.525 0.000 3.183) 3.530 14.092 ( 2.426 0.000 -8.383) 8.727 14.121 ( 2.000 0.000 -4.832) 5.230 14.187 ( 7.036 0.000 9.252) 11.624 14.367 ( 0.328 0.000 17.513) 17.516 15.294 ( 1.520 0.000 -7.031) 7.194 15.348 ( -8.231 0.000 -12.188) 14.707 15.530 ( -13.926 0.000 5.440) 14.951 15.581 ( -6.319 0.000 1.422) 6.477 15.839 ( -2.482 0.000 4.476) 5.118 16.019 ( 1.753 0.000 -4.125) 4.482 16.300 ( -0.420 0.000 -13.221) 13.228 16.355 ( -1.597 0.000 -11.792) 11.899 16.525 ( 5.407 0.000 6.495) 8.451 16.841 ( -13.354 0.000 13.621) 19.075 16.981 ( -6.639 0.000 7.908) 10.326 17.026 ( -4.420 0.000 -2.716) 5.188 17.513 ( -19.522 0.000 -27.467) 33.698 18.321 ( -22.523 0.000 24.232) 33.083 20.114 ( -0.991 0.000 -4.319) 4.431 20.170 ( -7.130 0.000 2.396) 7.522 20.336 ( -3.601 0.000 5.943) 6.949 20.449 ( -3.314 0.000 0.854) 3.422 20.535 ( 3.789 0.000 -1.757) 4.176 20.605 ( -1.881 0.000 2.657) 3.255 20.804 ( -1.973 0.000 -5.514) 5.856 20.854 ( 1.683 0.000 -0.084) 1.685 20.924 ( -7.393 0.000 -3.086) 8.011 21.072 ( 0.899 0.000 7.133) 7.190 21.226 ( 5.719 0.000 -5.557) 7.974 21.254 ( -1.467 0.000 5.233) 5.435 21.542 ( 1.214 0.000 4.192) 4.364 21.569 ( -2.682 0.000 4.010) 4.824 21.722 ( -6.454 0.000 3.083) 7.153 21.735 ( 0.132 0.000 -0.062) 0.146 21.870 ( -2.070 0.000 -3.005) 3.649 21.979 ( 4.885 0.000 1.429) 5.089 22.112 ( 3.714 0.000 -10.297) 10.946 22.112 ( 4.271 0.000 -5.267) 6.781 22.163 ( -6.060 0.000 7.973) 10.014 22.347 ( -7.270 0.000 1.265) 7.379 22.825 ( -10.188 0.000 -3.942) 10.924 22.869 ( -15.190 0.000 -0.930) 15.218 23.231 ( 4.529 0.000 -5.805) 7.362 23.315 ( 5.782 0.000 -0.158) 5.784 23.581 ( -3.732 0.000 -2.785) 4.657 23.623 ( 13.262 0.000 -2.011) 13.414 24.210 ( 21.884 0.000 -7.370) 23.092 24.241 ( 9.961 0.000 13.322) 16.634 24.565 ( -1.105 0.000 -1.333) 1.731 24.750 ( 2.172 0.000 -2.504) 3.315 24.753 ( 2.863 0.000 3.877) 4.820 25.007 ( 0.703 0.000 2.701) 2.791 25.074 ( 4.883 0.000 4.909) 6.924 25.078 ( -0.616 0.000 -5.668) 5.702 25.324 ( -2.215 0.000 3.825) 4.420 25.364 ( 11.271 0.000 -4.488) 12.132 25.718 ( -3.210 0.000 0.417) 3.237 25.785 ( -2.312 0.000 0.575) 2.382 26.111 ( 1.509 0.000 0.721) 1.673 26.146 ( 2.811 0.000 -2.237) 3.593 26.221 ( -1.633 0.000 -3.788) 4.125 26.398 ( -0.206 0.000 -4.368) 4.372 26.439 ( -2.279 0.000 2.742) 3.565 26.478 ( 0.809 0.000 2.114) 2.263 26.587 ( 5.327 0.000 -5.757) 7.844 26.794 ( -1.694 0.000 3.441) 3.835 26.818 ( 0.817 0.000 1.715) 1.900 26.951 ( 5.829 0.000 3.960) 7.047 27.128 ( 3.105 0.000 4.210) 5.231 27.139 ( 3.542 0.000 -1.959) 4.048 27.422 ( 8.000 0.000 0.378) 8.009 27.624 ( -6.713 0.000 5.314) 8.562 27.751 ( 16.891 0.000 -6.470) 18.088 28.006 ( 7.320 0.000 -8.260) 11.036 29.163 ( -6.916 0.000 16.037) 17.464 29.239 ( 7.450 0.000 -14.540) 16.338 29.510 ( -17.006 0.000 7.901) 18.752 30.073 ( -6.258 0.000 -1.438) 6.421 ======================= Grid point 108 (52/78) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.624 0.000 2.293) 2.810 1.383 ( -9.383 0.000 4.172) 10.269 1.697 ( 0.654 0.000 2.849) 2.923 2.094 ( -2.883 0.000 -12.120) 12.458 2.259 ( 9.775 0.000 1.001) 9.826 2.339 ( 14.048 0.000 -9.442) 16.926 2.393 ( 13.962 0.000 -17.218) 22.168 2.515 ( 5.026 0.000 1.319) 5.196 2.757 ( 7.680 0.000 -0.520) 7.698 2.758 ( 0.090 0.000 0.886) 0.890 2.984 ( 7.372 0.000 4.879) 8.840 3.172 ( 3.052 0.000 3.129) 4.371 3.231 ( -2.438 0.000 0.089) 2.440 3.288 ( 3.225 0.000 4.428) 5.478 3.355 ( 3.993 0.000 2.049) 4.488 3.641 ( 5.333 0.000 -0.665) 5.374 3.722 ( 2.131 0.000 3.520) 4.115 3.788 ( 4.290 0.000 -9.339) 10.277 3.835 ( 4.427 0.000 -3.849) 5.866 3.882 ( 1.251 0.000 2.393) 2.700 4.256 ( 0.183 0.000 -7.062) 7.064 4.291 ( -0.170 0.000 2.752) 2.757 4.363 ( 12.639 0.000 4.108) 13.289 4.537 ( 1.498 0.000 -5.986) 6.171 4.702 ( 11.754 0.000 10.539) 15.786 4.923 ( 12.511 0.000 -5.295) 13.585 4.938 ( 3.243 0.000 3.818) 5.010 5.732 ( 3.043 0.000 16.495) 16.774 5.847 ( -3.538 0.000 -8.015) 8.761 6.285 ( 5.995 0.000 -14.669) 15.847 6.498 ( -12.717 0.000 25.428) 28.430 6.715 ( -0.405 0.000 -9.870) 9.878 6.744 ( -15.668 0.000 11.819) 19.626 6.939 ( 3.982 0.000 -13.448) 14.025 7.110 ( -6.965 0.000 23.013) 24.044 7.375 ( 18.146 0.000 -8.400) 19.995 7.402 ( 6.948 0.000 11.712) 13.618 7.823 ( -4.358 0.000 18.894) 19.390 7.845 ( 8.861 0.000 -14.053) 16.613 8.010 ( 28.427 0.000 -7.978) 29.525 8.063 ( -13.915 0.000 17.108) 22.052 8.150 ( 14.748 0.000 -16.018) 21.774 8.336 ( 10.491 0.000 15.649) 18.840 8.548 ( 14.204 0.000 -4.302) 14.841 8.769 ( 8.076 0.000 -25.485) 26.734 8.956 ( 13.039 0.000 -10.822) 16.945 9.035 ( -2.134 0.000 -5.404) 5.810 9.343 ( 8.664 0.000 20.060) 21.851 9.689 ( 0.659 0.000 4.316) 4.366 9.775 ( 1.830 0.000 -14.677) 14.790 9.981 ( 3.483 0.000 24.650) 24.895 10.136 ( -11.033 0.000 17.019) 20.282 10.254 ( -17.048 0.000 -4.102) 17.535 10.287 ( -13.714 0.000 -7.275) 15.524 10.370 ( -3.650 0.000 -10.126) 10.764 10.680 ( 18.582 0.000 -8.122) 20.279 10.701 ( 6.545 0.000 0.402) 6.557 11.003 ( 2.274 0.000 -0.765) 2.399 11.092 ( 10.298 0.000 -6.636) 12.251 11.124 ( -2.114 0.000 13.498) 13.663 11.332 ( 0.651 0.000 -3.955) 4.008 11.469 ( 10.718 0.000 -5.209) 11.917 11.690 ( -1.228 0.000 -3.122) 3.355 11.778 ( -1.746 0.000 -3.200) 3.645 11.808 ( 0.232 0.000 -2.017) 2.030 11.974 ( -7.621 0.000 -4.848) 9.032 12.080 ( 1.654 0.000 6.427) 6.637 12.093 ( -6.343 0.000 1.818) 6.599 12.377 ( -7.378 0.000 -13.968) 15.797 12.545 ( -6.573 0.000 5.099) 8.319 12.869 ( 3.338 0.000 0.883) 3.453 12.930 ( 14.044 0.000 0.098) 14.044 13.127 ( 14.509 0.000 -3.805) 15.000 13.180 ( 6.246 0.000 -0.102) 6.246 13.424 ( 4.900 0.000 -1.746) 5.202 13.589 ( -6.910 0.000 2.406) 7.317 13.609 ( 12.635 0.000 3.968) 13.243 13.893 ( 1.016 0.000 5.731) 5.821 14.124 ( 6.205 0.000 -1.536) 6.393 14.177 ( 6.416 0.000 0.915) 6.481 14.222 ( -1.727 0.000 -3.068) 3.521 14.716 ( 4.746 0.000 24.781) 25.231 15.051 ( -5.792 0.000 -14.372) 15.495 15.251 ( -2.828 0.000 -4.219) 5.079 15.359 ( -9.013 0.000 2.629) 9.389 15.492 ( -2.333 0.000 -1.058) 2.562 15.759 ( -14.655 0.000 -17.902) 23.136 15.778 ( -10.383 0.000 4.078) 11.155 16.147 ( 3.428 0.000 -6.208) 7.091 16.493 ( 2.962 0.000 2.983) 4.204 16.572 ( -9.005 0.000 8.226) 12.197 16.752 ( -4.381 0.000 2.900) 5.254 16.845 ( -6.722 0.000 -13.685) 15.247 16.905 ( -9.733 0.000 4.705) 10.811 17.058 ( -8.875 0.000 -8.365) 12.196 18.042 ( -30.776 0.000 14.778) 34.140 20.056 ( -6.673 0.000 1.013) 6.750 20.081 ( 0.021 0.000 -1.247) 1.247 20.360 ( -2.310 0.000 8.260) 8.577 20.409 ( -4.028 0.000 3.065) 5.062 20.588 ( -1.469 0.000 -1.397) 2.027 20.599 ( 1.891 0.000 4.177) 4.585 20.735 ( -4.706 0.000 0.185) 4.709 20.760 ( -3.187 0.000 -5.226) 6.121 20.856 ( 0.046 0.000 -0.576) 0.578 21.080 ( -8.076 0.000 8.096) 11.435 21.279 ( 0.728 0.000 2.194) 2.312 21.286 ( 5.588 0.000 -2.556) 6.144 21.533 ( -1.910 0.000 0.731) 2.045 21.605 ( 2.139 0.000 0.514) 2.200 21.722 ( -3.310 0.000 6.262) 7.083 21.767 ( 2.444 0.000 -1.922) 3.109 21.817 ( 1.820 0.000 -3.621) 4.052 21.997 ( -0.825 0.000 -2.086) 2.243 22.027 ( 1.455 0.000 -12.436) 12.521 22.121 ( -3.951 0.000 4.198) 5.765 22.233 ( -7.156 0.000 -0.849) 7.206 22.235 ( 7.542 0.000 -0.892) 7.595 22.618 ( -8.320 0.000 -4.016) 9.239 22.639 ( -11.227 0.000 2.293) 11.459 23.304 ( 7.349 0.000 0.453) 7.363 23.384 ( 2.429 0.000 0.202) 2.437 23.501 ( -2.868 0.000 -0.758) 2.966 23.805 ( 8.725 0.000 -0.599) 8.746 24.451 ( 10.395 0.000 -3.035) 10.829 24.500 ( 8.316 0.000 7.520) 11.212 24.586 ( 5.749 0.000 0.199) 5.752 24.777 ( 3.860 0.000 -1.998) 4.347 24.832 ( 2.389 0.000 2.112) 3.189 25.032 ( -1.031 0.000 5.811) 5.902 25.052 ( 2.815 0.000 -3.729) 4.672 25.178 ( 1.659 0.000 -0.703) 1.801 25.353 ( -0.751 0.000 9.198) 9.228 25.488 ( 8.812 0.000 -7.055) 11.289 25.674 ( -2.557 0.000 0.538) 2.613 25.774 ( 0.684 0.000 0.221) 0.719 26.150 ( 2.854 0.000 -0.385) 2.879 26.180 ( 0.915 0.000 -3.081) 3.214 26.185 ( 3.821 0.000 -1.823) 4.233 26.351 ( 1.222 0.000 -4.186) 4.361 26.417 ( -0.335 0.000 -2.146) 2.172 26.479 ( 0.474 0.000 -4.125) 4.152 26.649 ( 0.809 0.000 -0.888) 1.201 26.789 ( -3.969 0.000 4.261) 5.823 26.821 ( 1.609 0.000 2.072) 2.623 27.034 ( 1.960 0.000 -0.433) 2.008 27.184 ( -1.408 0.000 4.507) 4.722 27.195 ( 1.574 0.000 -1.827) 2.412 27.554 ( 2.903 0.000 11.608) 11.965 27.635 ( -0.048 0.000 7.769) 7.769 27.946 ( 14.118 0.000 -7.958) 16.206 28.068 ( 9.832 0.000 -9.075) 13.380 29.171 ( -8.339 0.000 12.474) 15.005 29.253 ( 9.670 0.000 -13.559) 16.654 29.330 ( -13.414 0.000 8.892) 16.094 29.903 ( -6.442 0.000 -9.565) 11.532 ======================= Grid point 109 (53/78) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -11.368 0.000 2.457) 11.630 1.341 ( 1.861 0.000 0.222) 1.874 1.790 ( 0.990 0.000 11.972) 12.013 1.972 ( 4.273 0.000 -8.036) 9.101 2.408 ( 3.764 0.000 2.076) 4.299 2.498 ( 10.470 0.000 -4.653) 11.457 2.522 ( 14.392 0.000 -7.074) 16.036 2.612 ( 7.323 0.000 -1.373) 7.451 2.755 ( -2.065 0.000 2.579) 3.303 2.799 ( -1.719 0.000 -1.338) 2.178 3.125 ( 2.710 0.000 4.485) 5.240 3.129 ( -1.724 0.000 -3.549) 3.945 3.305 ( 3.459 0.000 4.324) 5.538 3.354 ( 1.617 0.000 -1.035) 1.920 3.408 ( 0.333 0.000 1.293) 1.336 3.656 ( -1.592 0.000 -4.830) 5.086 3.701 ( -2.710 0.000 -1.992) 3.363 3.756 ( -1.265 0.000 1.672) 2.096 3.903 ( 5.610 0.000 -0.617) 5.644 3.964 ( 3.508 0.000 3.173) 4.730 4.210 ( -2.541 0.000 0.170) 2.546 4.291 ( -1.746 0.000 2.127) 2.752 4.490 ( 0.517 0.000 -5.644) 5.668 4.532 ( 8.938 0.000 -4.987) 10.235 5.043 ( 3.956 0.000 4.407) 5.922 5.117 ( 16.566 0.000 -5.357) 17.410 5.125 ( 12.731 0.000 20.520) 24.148 5.836 ( 2.141 0.000 4.872) 5.322 5.846 ( -1.621 0.000 5.415) 5.653 6.324 ( 10.004 0.000 -0.367) 10.011 6.408 ( -17.636 0.000 7.786) 19.278 6.567 ( -16.415 0.000 10.456) 19.462 6.732 ( 11.786 0.000 -5.631) 13.062 7.032 ( 14.483 0.000 1.338) 14.545 7.112 ( -16.649 0.000 19.910) 25.954 7.485 ( 6.517 0.000 -4.993) 8.210 7.516 ( -9.910 0.000 13.715) 16.920 7.739 ( -18.200 0.000 17.987) 25.589 7.878 ( 14.062 0.000 -16.889) 21.977 8.006 ( -7.861 0.000 10.367) 13.011 8.243 ( 15.257 0.000 -13.695) 20.502 8.446 ( -6.427 0.000 -14.403) 15.772 8.528 ( 27.378 0.000 -8.494) 28.666 8.670 ( -3.272 0.000 6.483) 7.261 8.672 ( 15.750 0.000 -22.036) 27.086 9.078 ( 11.850 0.000 -5.122) 12.909 9.124 ( 13.890 0.000 -4.067) 14.473 9.601 ( -2.135 0.000 9.263) 9.506 9.648 ( -10.437 0.000 -3.698) 11.073 9.778 ( 3.645 0.000 2.875) 4.642 9.953 ( -16.259 0.000 -1.657) 16.343 9.954 ( -5.396 0.000 -0.442) 5.414 10.174 ( -6.969 0.000 18.090) 19.386 10.218 ( 10.289 0.000 -2.885) 10.686 10.378 ( 8.147 0.000 11.415) 14.024 10.719 ( -4.919 0.000 1.846) 5.254 10.841 ( 11.036 0.000 -15.038) 18.653 10.970 ( -3.702 0.000 0.927) 3.817 11.150 ( 8.299 0.000 -12.379) 14.903 11.256 ( 2.961 0.000 5.017) 5.826 11.299 ( -1.464 0.000 1.157) 1.865 11.565 ( 2.413 0.000 -3.478) 4.233 11.652 ( -3.672 0.000 -9.114) 9.825 11.677 ( 3.569 0.000 -4.434) 5.692 11.791 ( 0.968 0.000 -11.950) 11.989 11.874 ( -4.709 0.000 1.764) 5.028 12.033 ( -1.110 0.000 4.040) 4.190 12.039 ( -1.669 0.000 -4.524) 4.822 12.246 ( -0.992 0.000 3.464) 3.603 12.455 ( -8.060 0.000 2.332) 8.391 13.049 ( 10.229 0.000 8.346) 13.201 13.056 ( -1.702 0.000 -0.421) 1.754 13.218 ( 0.713 0.000 -4.859) 4.912 13.297 ( 13.396 0.000 -7.226) 15.221 13.556 ( 9.651 0.000 7.097) 11.980 13.620 ( 9.035 0.000 2.566) 9.393 13.877 ( 7.719 0.000 0.654) 7.747 13.945 ( 0.289 0.000 3.081) 3.095 14.179 ( 0.131 0.000 -3.217) 3.220 14.220 ( 2.547 0.000 1.136) 2.788 14.366 ( 14.583 0.000 0.256) 14.585 14.586 ( -8.149 0.000 -1.904) 8.369 15.066 ( -15.410 0.000 1.005) 15.443 15.180 ( 3.999 0.000 -1.972) 4.459 15.297 ( -17.185 0.000 -9.860) 19.813 15.306 ( -1.536 0.000 3.490) 3.813 15.568 ( -15.964 0.000 0.579) 15.974 15.628 ( 13.369 0.000 10.438) 16.962 16.084 ( -6.456 0.000 -7.407) 9.825 16.388 ( 2.613 0.000 -10.818) 11.129 16.434 ( -15.234 0.000 8.246) 17.322 16.719 ( -3.075 0.000 -1.645) 3.488 16.768 ( -4.892 0.000 -1.956) 5.268 16.870 ( 7.345 0.000 3.877) 8.306 16.931 ( -0.209 0.000 -2.830) 2.838 17.627 ( -28.595 0.000 6.582) 29.342 19.994 ( -2.384 0.000 2.636) 3.554 20.078 ( -0.129 0.000 0.063) 0.144 20.361 ( -5.181 0.000 3.618) 6.319 20.382 ( -3.734 0.000 5.899) 6.982 20.541 ( -0.513 0.000 -2.859) 2.904 20.612 ( -3.804 0.000 -0.109) 3.805 20.668 ( -1.039 0.000 5.473) 5.570 20.809 ( 5.403 0.000 4.385) 6.958 20.860 ( 1.129 0.000 -1.325) 1.741 21.043 ( -4.714 0.000 8.786) 9.971 21.294 ( -0.866 0.000 1.601) 1.820 21.356 ( 3.881 0.000 -0.421) 3.903 21.518 ( -1.778 0.000 -0.041) 1.779 21.613 ( 0.027 0.000 -4.477) 4.477 21.665 ( -6.671 0.000 0.721) 6.710 21.687 ( 1.447 0.000 -12.006) 12.093 21.878 ( 6.359 0.000 -8.756) 10.821 21.957 ( -1.670 0.000 -0.893) 1.894 22.007 ( 4.810 0.000 -1.904) 5.173 22.029 ( -7.405 0.000 -2.223) 7.731 22.103 ( -6.213 0.000 2.504) 6.699 22.350 ( 7.082 0.000 -4.043) 8.155 22.488 ( -5.061 0.000 1.772) 5.362 22.545 ( -4.626 0.000 4.783) 6.654 23.402 ( 1.528 0.000 -0.419) 1.584 23.403 ( -0.658 0.000 0.614) 0.900 23.549 ( 5.703 0.000 7.951) 9.785 23.894 ( 3.184 0.000 -2.065) 3.795 24.538 ( 2.494 0.000 3.172) 4.035 24.659 ( 4.137 0.000 3.130) 5.188 24.692 ( 2.033 0.000 2.933) 3.569 24.856 ( 0.264 0.000 -2.094) 2.110 24.881 ( 11.871 0.000 -3.923) 12.502 25.075 ( -3.423 0.000 7.613) 8.347 25.091 ( 4.174 0.000 -1.123) 4.322 25.138 ( -3.547 0.000 0.604) 3.598 25.421 ( -2.089 0.000 5.816) 6.179 25.527 ( 5.115 0.000 -8.159) 9.630 25.655 ( -0.638 0.000 2.414) 2.497 25.797 ( 2.623 0.000 -2.546) 3.656 26.194 ( 2.475 0.000 -0.458) 2.517 26.197 ( 3.222 0.000 -0.964) 3.364 26.227 ( 2.654 0.000 -1.498) 3.047 26.357 ( 0.207 0.000 -0.766) 0.793 26.399 ( 2.078 0.000 -3.836) 4.363 26.449 ( 3.126 0.000 -5.261) 6.119 26.581 ( -3.601 0.000 -3.493) 5.016 26.723 ( -8.025 0.000 3.052) 8.586 26.918 ( 3.659 0.000 4.735) 5.984 27.035 ( 1.411 0.000 -3.424) 3.703 27.152 ( -2.322 0.000 -3.116) 3.886 27.174 ( -3.643 0.000 2.693) 4.530 27.724 ( -1.147 0.000 15.550) 15.592 27.752 ( 2.846 0.000 12.613) 12.930 28.071 ( 9.286 0.000 -8.602) 12.658 28.146 ( 10.050 0.000 -10.717) 14.692 29.125 ( -9.529 0.000 10.388) 14.097 29.237 ( -8.993 0.000 11.253) 14.405 29.289 ( 9.357 0.000 -13.322) 16.280 29.703 ( -2.927 0.000 -14.260) 14.557 ======================= Grid point 110 (54/78) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -6.504 0.000 9.042) 11.138 1.303 ( 0.763 0.000 -7.807) 7.844 1.912 ( -1.606 0.000 11.040) 11.156 2.061 ( 7.414 0.000 -4.265) 8.553 2.442 ( -0.244 0.000 2.824) 2.834 2.530 ( -1.066 0.000 -5.026) 5.137 2.670 ( 1.484 0.000 -1.494) 2.105 2.697 ( -6.513 0.000 -2.168) 6.864 2.739 ( 1.720 0.000 1.627) 2.368 2.755 ( 8.242 0.000 -1.421) 8.363 3.111 ( 2.729 0.000 -0.604) 2.795 3.115 ( -5.749 0.000 0.150) 5.751 3.342 ( -2.561 0.000 -0.331) 2.582 3.356 ( 2.232 0.000 -2.570) 3.404 3.435 ( 0.161 0.000 5.546) 5.549 3.546 ( -3.341 0.000 -5.164) 6.151 3.706 ( 1.379 0.000 2.040) 2.462 3.742 ( -0.253 0.000 -0.842) 0.879 3.981 ( -6.150 0.000 3.941) 7.305 3.989 ( 1.297 0.000 3.029) 3.295 4.195 ( 0.005 0.000 3.997) 3.997 4.303 ( 4.979 0.000 -5.119) 7.141 4.454 ( -2.629 0.000 1.169) 2.877 4.560 ( 1.566 0.000 -7.619) 7.778 5.136 ( 0.020 0.000 5.197) 5.197 5.167 ( -5.158 0.000 4.785) 7.036 5.605 ( 21.787 0.000 6.473) 22.729 5.771 ( -7.035 0.000 -7.591) 10.350 5.972 ( 7.761 0.000 8.704) 11.661 6.119 ( -13.242 0.000 -3.818) 13.782 6.397 ( -17.160 0.000 11.150) 20.464 6.583 ( 17.778 0.000 -4.738) 18.398 6.910 ( -29.778 0.000 19.273) 35.471 7.059 ( 23.080 0.000 14.060) 27.026 7.321 ( 13.334 0.000 0.696) 13.352 7.383 ( -15.607 0.000 14.225) 21.117 7.651 ( -10.711 0.000 -5.252) 11.930 7.688 ( 22.131 0.000 -0.316) 22.133 7.873 ( -15.198 0.000 4.108) 15.743 7.916 ( 2.367 0.000 -4.062) 4.701 8.127 ( -9.228 0.000 -0.091) 9.229 8.355 ( 15.132 0.000 -17.457) 23.103 8.477 ( -19.575 0.000 -5.892) 20.442 8.627 ( 19.650 0.000 -21.063) 28.806 9.072 ( -17.411 0.000 -2.003) 17.526 9.072 ( 22.373 0.000 -1.643) 22.433 9.315 ( 11.502 0.000 1.391) 11.586 9.341 ( -15.910 0.000 -1.058) 15.945 9.564 ( 5.660 0.000 -0.969) 5.743 9.618 ( -9.644 0.000 -5.718) 11.212 9.923 ( -0.312 0.000 7.457) 7.463 10.027 ( 6.263 0.000 -2.191) 6.635 10.231 ( -8.624 0.000 15.963) 18.143 10.436 ( 11.979 0.000 -1.895) 12.128 10.579 ( -12.894 0.000 4.141) 13.542 10.655 ( 4.639 0.000 13.817) 14.575 10.836 ( 9.691 0.000 -9.730) 13.733 10.906 ( -4.786 0.000 0.510) 4.813 11.159 ( 4.754 0.000 -6.136) 7.762 11.302 ( 1.045 0.000 -9.112) 9.171 11.315 ( 1.095 0.000 1.409) 1.784 11.406 ( -10.809 0.000 -14.840) 18.359 11.531 ( -1.774 0.000 -1.849) 2.562 11.558 ( 0.555 0.000 -5.048) 5.078 11.805 ( -5.422 0.000 2.741) 6.075 11.857 ( 10.115 0.000 -2.486) 10.416 12.056 ( -2.135 0.000 4.015) 4.547 12.105 ( 4.005 0.000 0.953) 4.116 12.301 ( 3.715 0.000 2.896) 4.711 12.324 ( -8.756 0.000 0.695) 8.784 13.007 ( -3.079 0.000 6.121) 6.852 13.152 ( -0.232 0.000 -7.054) 7.057 13.257 ( 1.987 0.000 5.608) 5.949 13.402 ( 5.338 0.000 -9.214) 10.648 13.703 ( -6.324 0.000 7.507) 9.816 13.754 ( 4.199 0.000 0.461) 4.224 13.964 ( 10.107 0.000 1.818) 10.269 14.013 ( -6.375 0.000 1.141) 6.476 14.123 ( -4.194 0.000 -0.307) 4.205 14.135 ( -4.015 0.000 -1.936) 4.458 14.553 ( -8.079 0.000 0.279) 8.084 14.619 ( 15.099 0.000 -5.305) 16.004 14.912 ( 1.086 0.000 3.525) 3.689 14.928 ( -4.318 0.000 0.594) 4.359 15.225 ( -18.870 0.000 1.363) 18.919 15.316 ( 14.621 0.000 -6.861) 16.151 15.442 ( 5.167 0.000 9.610) 10.912 15.711 ( -4.350 0.000 -15.247) 15.856 16.178 ( 14.614 0.000 14.622) 20.673 16.258 ( -13.310 0.000 7.761) 15.407 16.454 ( 12.463 0.000 -6.386) 14.004 16.516 ( -9.268 0.000 -13.136) 16.077 16.786 ( 2.524 0.000 2.607) 3.629 16.826 ( -4.014 0.000 -1.027) 4.144 17.192 ( 20.254 0.000 4.536) 20.755 17.241 ( -19.714 0.000 -0.363) 19.717 20.018 ( 1.009 0.000 3.459) 3.603 20.062 ( -1.290 0.000 -0.962) 1.609 20.339 ( -0.614 0.000 3.760) 3.810 20.365 ( -1.381 0.000 1.974) 2.409 20.530 ( 0.267 0.000 0.250) 0.366 20.565 ( -0.862 0.000 -1.500) 1.730 20.734 ( 1.154 0.000 6.786) 6.884 20.852 ( 0.721 0.000 -4.292) 4.352 20.971 ( 5.269 0.000 8.827) 10.280 21.069 ( -0.664 0.000 2.481) 2.568 21.300 ( -0.159 0.000 0.915) 0.928 21.371 ( -0.484 0.000 -4.476) 4.502 21.437 ( -8.106 0.000 6.078) 10.131 21.530 ( -0.602 0.000 -3.501) 3.553 21.576 ( -2.327 0.000 -2.953) 3.759 21.672 ( 7.505 0.000 -10.830) 13.177 21.843 ( -9.909 0.000 0.208) 9.911 21.905 ( 6.977 0.000 -6.258) 9.372 21.962 ( 1.073 0.000 -0.180) 1.088 21.975 ( -2.670 0.000 -0.951) 2.834 22.177 ( 3.142 0.000 6.527) 7.244 22.318 ( -2.447 0.000 -7.043) 7.456 22.519 ( 3.489 0.000 2.607) 4.356 22.549 ( 1.474 0.000 0.658) 1.615 23.382 ( -2.717 0.000 1.647) 3.178 23.418 ( 1.920 0.000 -1.228) 2.279 23.728 ( 3.717 0.000 9.102) 9.832 23.870 ( -2.058 0.000 -5.208) 5.600 24.619 ( 1.568 0.000 5.476) 5.696 24.695 ( -2.137 0.000 0.448) 2.184 24.728 ( -0.890 0.000 4.096) 4.191 24.806 ( -2.014 0.000 -4.292) 4.741 25.007 ( -6.633 0.000 0.140) 6.634 25.047 ( 10.053 0.000 -2.771) 10.428 25.122 ( -4.480 0.000 5.130) 6.811 25.159 ( 3.696 0.000 0.663) 3.755 25.392 ( -5.513 0.000 4.595) 7.177 25.526 ( 4.245 0.000 -7.777) 8.861 25.694 ( 0.571 0.000 4.236) 4.274 25.797 ( 1.892 0.000 -5.645) 5.953 26.218 ( -0.452 0.000 0.969) 1.069 26.239 ( 0.205 0.000 -1.513) 1.527 26.251 ( 2.803 0.000 1.371) 3.121 26.295 ( -4.986 0.000 -1.220) 5.133 26.422 ( 3.964 0.000 -2.785) 4.845 26.424 ( -2.754 0.000 -4.977) 5.688 26.592 ( -8.452 0.000 0.719) 8.482 26.595 ( 8.273 0.000 0.861) 8.318 26.984 ( -1.192 0.000 2.350) 2.635 27.034 ( 1.890 0.000 -3.093) 3.625 27.121 ( 2.250 0.000 0.233) 2.262 27.125 ( -3.398 0.000 0.495) 3.434 27.839 ( -2.198 0.000 14.060) 14.231 27.887 ( -3.307 0.000 13.828) 14.218 28.076 ( 2.916 0.000 -11.321) 11.690 28.187 ( 7.934 0.000 -14.163) 16.234 29.067 ( -9.653 0.000 11.459) 14.983 29.240 ( -5.468 0.000 15.449) 16.388 29.308 ( 7.799 0.000 -12.447) 14.688 29.548 ( 1.673 0.000 -14.947) 15.041 ======================= Grid point 111 (55/78) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 2.180 0.000 13.401) 13.578 1.290 ( 5.195 0.000 -4.267) 6.723 1.906 ( -5.812 0.000 1.598) 6.028 2.012 ( -3.728 0.000 -9.508) 10.213 2.392 ( -12.333 0.000 -0.383) 12.339 2.426 ( -11.273 0.000 0.409) 11.280 2.525 ( -8.926 0.000 -3.813) 9.706 2.583 ( -2.491 0.000 2.346) 3.422 2.812 ( 2.662 0.000 -2.320) 3.531 2.824 ( 1.993 0.000 -3.628) 4.139 3.056 ( -1.174 0.000 3.707) 3.888 3.186 ( 0.770 0.000 -0.655) 1.010 3.292 ( -0.111 0.000 3.541) 3.543 3.361 ( 0.233 0.000 -1.666) 1.682 3.447 ( -3.907 0.000 -2.424) 4.598 3.494 ( -0.191 0.000 7.097) 7.100 3.727 ( -1.117 0.000 -0.961) 1.474 3.767 ( 3.705 0.000 0.334) 3.720 3.856 ( -12.463 0.000 3.757) 13.017 3.970 ( -5.712 0.000 2.277) 6.149 4.294 ( 5.665 0.000 3.697) 6.764 4.313 ( 1.707 0.000 -8.479) 8.649 4.423 ( -2.885 0.000 4.734) 5.544 4.469 ( -4.148 0.000 -4.698) 6.267 5.024 ( -20.090 0.000 2.166) 20.207 5.093 ( -5.462 0.000 0.687) 5.505 5.532 ( -3.314 0.000 -18.331) 18.628 5.887 ( 8.304 0.000 1.208) 8.392 5.956 ( -3.147 0.000 -4.839) 5.773 6.202 ( -16.942 0.000 11.104) 20.257 6.332 ( 21.273 0.000 9.913) 23.469 6.528 ( -33.447 0.000 19.058) 38.496 6.784 ( 15.383 0.000 -9.832) 18.256 7.180 ( -21.088 0.000 -11.597) 24.067 7.327 ( -3.388 0.000 2.190) 4.034 7.459 ( 17.232 0.000 -13.946) 22.168 7.706 ( 15.263 0.000 21.757) 26.577 7.759 ( -12.766 0.000 9.250) 15.765 7.833 ( 9.674 0.000 -10.820) 14.514 7.995 ( -15.980 0.000 -1.805) 16.082 8.118 ( 11.764 0.000 3.443) 12.257 8.178 ( -8.938 0.000 17.327) 19.496 8.428 ( 13.052 0.000 -13.707) 18.927 8.573 ( -32.142 0.000 -3.179) 32.299 8.809 ( 16.227 0.000 -12.382) 20.411 9.039 ( -14.793 0.000 -2.429) 14.991 9.090 ( -15.458 0.000 0.478) 15.465 9.587 ( 11.198 0.000 2.699) 11.518 9.702 ( 17.077 0.000 1.637) 17.155 9.735 ( 8.143 0.000 2.650) 8.563 9.930 ( -1.194 0.000 2.895) 3.131 10.045 ( -20.453 0.000 3.266) 20.712 10.057 ( 5.802 0.000 -8.262) 10.096 10.459 ( -0.288 0.000 -8.140) 8.145 10.522 ( -5.350 0.000 13.488) 14.510 10.763 ( 3.138 0.000 0.153) 3.142 10.772 ( -6.486 0.000 -14.713) 16.079 11.010 ( -9.495 0.000 -2.743) 9.883 11.011 ( 7.466 0.000 -0.007) 7.466 11.196 ( -1.233 0.000 5.130) 5.276 11.345 ( -1.011 0.000 -2.787) 2.965 11.427 ( 8.293 0.000 10.911) 13.705 11.523 ( 1.664 0.000 3.051) 3.475 11.548 ( -0.254 0.000 -1.298) 1.323 11.748 ( -0.030 0.000 -3.351) 3.351 11.913 ( -2.740 0.000 -2.183) 3.503 12.055 ( -9.426 0.000 -4.620) 10.497 12.081 ( 5.366 0.000 1.214) 5.502 12.255 ( 0.049 0.000 2.868) 2.868 12.408 ( 4.070 0.000 4.618) 6.155 13.083 ( 0.989 0.000 8.668) 8.725 13.103 ( -0.546 0.000 -4.056) 4.092 13.190 ( -9.919 0.000 2.817) 10.311 13.262 ( -6.781 0.000 -13.039) 14.697 13.642 ( -9.558 0.000 1.196) 9.633 13.645 ( -20.927 0.000 -2.026) 21.025 13.844 ( -0.386 0.000 4.651) 4.667 13.951 ( -1.303 0.000 2.321) 2.662 14.176 ( -1.953 0.000 5.639) 5.967 14.209 ( 8.175 0.000 -3.656) 8.955 14.375 ( -8.158 0.000 -1.297) 8.260 14.624 ( -3.735 0.000 -10.039) 10.711 15.011 ( -6.871 0.000 12.868) 14.587 15.047 ( 10.400 0.000 1.578) 10.519 15.183 ( 18.215 0.000 2.284) 18.358 15.455 ( 0.989 0.000 -9.108) 9.161 15.634 ( 17.259 0.000 -6.799) 18.550 15.685 ( 6.214 0.000 8.870) 10.830 16.159 ( -1.190 0.000 0.348) 1.239 16.211 ( -9.604 0.000 -9.736) 13.676 16.469 ( 8.094 0.000 3.659) 8.883 16.693 ( 18.014 0.000 0.509) 18.022 16.773 ( 0.031 0.000 -1.154) 1.154 16.863 ( 1.364 0.000 3.867) 4.101 16.953 ( -11.400 0.000 -3.779) 12.010 17.669 ( 31.015 0.000 2.372) 31.105 20.037 ( 0.691 0.000 -1.662) 1.800 20.061 ( 0.162 0.000 1.946) 1.953 20.398 ( 3.366 0.000 0.514) 3.405 20.413 ( 4.849 0.000 3.124) 5.768 20.544 ( 0.337 0.000 -2.239) 2.264 20.554 ( 1.032 0.000 3.393) 3.547 20.801 ( -0.119 0.000 -6.673) 6.674 20.809 ( 1.196 0.000 3.422) 3.625 20.970 ( -6.182 0.000 -9.943) 11.708 21.132 ( 6.343 0.000 3.104) 7.062 21.311 ( -0.811 0.000 -1.910) 2.075 21.316 ( -2.498 0.000 5.813) 6.327 21.467 ( -1.415 0.000 11.555) 11.642 21.519 ( 0.943 0.000 -0.381) 1.017 21.529 ( 1.050 0.000 -0.160) 1.063 21.714 ( 8.445 0.000 -8.138) 11.728 21.730 ( -5.633 0.000 4.362) 7.124 21.942 ( -1.243 0.000 1.458) 1.916 21.992 ( 1.135 0.000 0.083) 1.138 22.013 ( 8.645 0.000 -0.558) 8.663 22.204 ( -1.593 0.000 -5.957) 6.166 22.243 ( -2.165 0.000 5.039) 5.485 22.589 ( 5.928 0.000 -6.547) 8.832 22.597 ( 4.732 0.000 -0.952) 4.827 23.359 ( -2.465 0.000 3.498) 4.280 23.436 ( 1.755 0.000 -2.151) 2.776 23.724 ( -6.974 0.000 -8.646) 11.108 23.820 ( -1.709 0.000 5.790) 6.037 24.594 ( -10.256 0.000 0.854) 10.292 24.651 ( -3.341 0.000 2.816) 4.369 24.708 ( -6.481 0.000 -1.636) 6.685 24.771 ( 0.413 0.000 5.552) 5.567 24.900 ( -1.742 0.000 -5.700) 5.960 25.057 ( -6.873 0.000 2.844) 7.438 25.142 ( 3.011 0.000 -0.692) 3.089 25.214 ( 2.922 0.000 -2.414) 3.790 25.361 ( -5.376 0.000 7.953) 9.599 25.530 ( 4.117 0.000 -6.002) 7.279 25.737 ( 0.074 0.000 3.199) 3.200 25.757 ( 1.029 0.000 -7.295) 7.367 26.179 ( -6.872 0.000 1.012) 6.946 26.200 ( -2.676 0.000 1.185) 2.927 26.203 ( -3.101 0.000 -1.907) 3.641 26.312 ( 1.264 0.000 3.796) 4.001 26.357 ( -0.674 0.000 -0.851) 1.086 26.393 ( -6.433 0.000 -0.030) 6.433 26.547 ( 3.723 0.000 -0.173) 3.727 26.772 ( 10.914 0.000 -0.822) 10.945 26.969 ( -1.625 0.000 2.551) 3.025 26.996 ( -3.370 0.000 -3.395) 4.783 27.110 ( 1.099 0.000 1.311) 1.711 27.198 ( 4.680 0.000 0.444) 4.701 27.891 ( -10.398 0.000 12.753) 16.455 27.903 ( -5.317 0.000 10.400) 11.681 27.972 ( -0.318 0.000 -13.543) 13.547 28.118 ( 2.821 0.000 -19.396) 19.600 29.014 ( -11.104 0.000 13.864) 17.763 29.328 ( 7.842 0.000 -10.143) 12.821 29.357 ( -0.960 0.000 20.059) 20.082 29.481 ( 6.591 0.000 -13.231) 14.782 ======================= Grid point 112 (56/78) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.264 0.000 0.683) 0.732 1.385 ( 6.459 0.000 1.968) 6.752 1.816 ( -10.903 0.000 -7.091) 13.006 1.854 ( -0.532 0.000 6.720) 6.741 2.118 ( -22.150 0.000 9.159) 23.969 2.164 ( -15.713 0.000 4.627) 16.380 2.337 ( -9.387 0.000 -4.392) 10.363 2.563 ( -1.716 0.000 -2.641) 3.149 2.768 ( -5.649 0.000 -1.781) 5.923 2.786 ( -2.284 0.000 -1.738) 2.869 3.075 ( -8.807 0.000 -3.744) 9.570 3.119 ( 1.392 0.000 5.168) 5.352 3.328 ( 0.141 0.000 -5.597) 5.599 3.345 ( -0.167 0.000 -1.169) 1.180 3.373 ( -3.241 0.000 -0.155) 3.245 3.479 ( -22.825 0.000 10.846) 25.271 3.682 ( 0.804 0.000 2.966) 3.073 3.721 ( -5.275 0.000 8.014) 9.595 3.788 ( -1.970 0.000 -2.552) 3.224 3.901 ( -1.408 0.000 0.640) 1.547 4.218 ( -4.508 0.000 -2.565) 5.187 4.349 ( -6.308 0.000 -1.601) 6.508 4.419 ( 4.250 0.000 3.833) 5.723 4.445 ( 1.241 0.000 -2.984) 3.232 4.621 ( -23.283 0.000 3.295) 23.515 5.016 ( -2.383 0.000 -2.400) 3.382 5.229 ( -10.150 0.000 -21.904) 24.142 5.831 ( -6.431 0.000 -4.660) 7.942 5.965 ( 3.913 0.000 -6.552) 7.632 6.061 ( -12.563 0.000 9.150) 15.542 6.327 ( -14.942 0.000 29.788) 33.326 6.749 ( 18.334 0.000 1.417) 18.389 6.832 ( -11.765 0.000 -0.972) 11.805 6.937 ( 13.778 0.000 -9.922) 16.978 7.272 ( -6.201 0.000 -0.678) 6.237 7.527 ( 5.199 0.000 -18.381) 19.102 7.645 ( -5.386 0.000 -12.645) 13.744 7.657 ( -0.828 0.000 2.986) 3.099 7.743 ( -28.415 0.000 17.230) 33.231 7.990 ( -25.255 0.000 2.860) 25.416 8.109 ( -2.054 0.000 -6.714) 7.021 8.244 ( 9.497 0.000 6.280) 11.386 8.307 ( -5.456 0.000 19.111) 19.875 8.436 ( -8.273 0.000 0.855) 8.317 8.768 ( 9.275 0.000 -24.634) 26.322 8.840 ( -14.011 0.000 2.116) 14.170 8.974 ( 7.513 0.000 -1.615) 7.685 9.644 ( -6.324 0.000 -4.733) 7.899 9.666 ( -7.162 0.000 -10.802) 12.961 9.777 ( 0.102 0.000 -4.442) 4.443 9.956 ( 4.060 0.000 21.831) 22.205 10.187 ( 12.209 0.000 1.647) 12.320 10.232 ( 15.683 0.000 5.419) 16.593 10.368 ( -3.188 0.000 -4.037) 5.144 10.469 ( -4.208 0.000 -22.477) 22.867 10.525 ( -4.668 0.000 6.325) 7.861 10.761 ( 0.455 0.000 -5.864) 5.882 10.942 ( -5.876 0.000 7.993) 9.920 11.025 ( -2.372 0.000 -2.072) 3.149 11.235 ( -0.300 0.000 3.030) 3.045 11.290 ( -3.513 0.000 0.911) 3.629 11.460 ( -5.270 0.000 -5.575) 7.671 11.638 ( 4.416 0.000 8.261) 9.368 11.638 ( 0.046 0.000 3.519) 3.519 11.799 ( 8.334 0.000 -1.668) 8.499 11.848 ( -2.712 0.000 5.463) 6.099 11.916 ( -3.984 0.000 15.189) 15.703 12.205 ( 10.099 0.000 -5.473) 11.487 12.272 ( 0.181 0.000 -2.538) 2.544 12.489 ( -2.871 0.000 6.316) 6.938 12.950 ( -11.223 0.000 0.893) 11.258 13.047 ( 0.063 0.000 -10.592) 10.592 13.102 ( -5.165 0.000 -1.749) 5.453 13.126 ( -5.224 0.000 3.947) 6.548 13.388 ( -9.955 0.000 -0.078) 9.956 13.556 ( 0.590 0.000 3.985) 4.029 13.704 ( -14.435 0.000 -0.384) 14.440 13.995 ( -0.310 0.000 -2.481) 2.500 14.094 ( -6.971 0.000 2.031) 7.261 14.240 ( -5.153 0.000 -4.246) 6.677 14.273 ( 7.838 0.000 -11.579) 13.983 14.712 ( 11.938 0.000 14.102) 18.477 15.017 ( -3.456 0.000 1.664) 3.836 15.170 ( 0.890 0.000 1.678) 1.899 15.450 ( 9.151 0.000 -5.212) 10.531 15.466 ( 3.236 0.000 4.784) 5.776 15.638 ( 3.027 0.000 -8.874) 9.376 15.858 ( 10.870 0.000 -3.388) 11.386 16.056 ( -5.515 0.000 1.471) 5.708 16.404 ( 17.758 0.000 10.503) 20.632 16.585 ( 3.011 0.000 2.513) 3.922 16.699 ( -11.535 0.000 -1.384) 11.617 16.795 ( 4.948 0.000 -1.366) 5.133 16.970 ( 4.128 0.000 3.209) 5.228 17.032 ( 21.759 0.000 -4.624) 22.245 18.224 ( 33.029 0.000 -3.709) 33.237 20.061 ( -1.296 0.000 0.916) 1.588 20.073 ( 5.159 0.000 -0.941) 5.244 20.446 ( 1.534 0.000 -0.419) 1.591 20.524 ( 0.994 0.000 -4.620) 4.726 20.541 ( 7.008 0.000 1.114) 7.096 20.612 ( -4.053 0.000 4.828) 6.304 20.742 ( 2.523 0.000 -4.781) 5.406 20.793 ( -1.541 0.000 -5.984) 6.179 20.839 ( 0.375 0.000 0.928) 1.001 21.244 ( -8.277 0.000 2.379) 8.612 21.250 ( 10.104 0.000 -6.289) 11.901 21.302 ( -1.115 0.000 0.253) 1.143 21.553 ( 2.779 0.000 -0.602) 2.843 21.559 ( 1.351 0.000 7.000) 7.129 21.654 ( 7.496 0.000 5.198) 9.122 21.717 ( -2.127 0.000 5.877) 6.250 21.792 ( 5.674 0.000 -3.008) 6.422 21.945 ( -3.265 0.000 -3.014) 4.444 21.945 ( -1.114 0.000 3.169) 3.359 22.147 ( 2.281 0.000 1.341) 2.646 22.229 ( 1.483 0.000 -0.285) 1.510 22.230 ( 7.306 0.000 -0.290) 7.312 22.619 ( 5.725 0.000 -5.863) 8.195 22.676 ( 6.510 0.000 -1.142) 6.609 23.342 ( -5.356 0.000 0.235) 5.361 23.425 ( 0.084 0.000 -3.646) 3.647 23.518 ( -4.849 0.000 -4.821) 6.837 23.774 ( -8.593 0.000 2.688) 9.003 24.360 ( -20.806 0.000 6.448) 21.783 24.573 ( -6.758 0.000 -0.628) 6.787 24.597 ( -3.158 0.000 -2.613) 4.099 24.809 ( -1.855 0.000 3.645) 4.090 24.837 ( 0.973 0.000 -7.163) 7.229 24.976 ( -6.086 0.000 4.314) 7.460 25.143 ( -2.961 0.000 0.706) 3.044 25.197 ( 0.774 0.000 -6.330) 6.377 25.340 ( -6.725 0.000 7.814) 10.310 25.531 ( 2.565 0.000 -7.257) 7.697 25.715 ( 1.875 0.000 -4.827) 5.179 25.762 ( 0.583 0.000 1.301) 1.426 26.093 ( -5.396 0.000 4.572) 7.073 26.153 ( -1.115 0.000 -0.684) 1.308 26.155 ( -3.952 0.000 1.192) 4.127 26.288 ( -4.875 0.000 2.277) 5.380 26.377 ( 2.668 0.000 1.100) 2.886 26.378 ( 0.160 0.000 5.056) 5.058 26.625 ( 3.685 0.000 1.174) 3.868 26.877 ( -5.981 0.000 -3.296) 6.829 26.892 ( 5.905 0.000 -5.915) 8.358 26.999 ( 1.294 0.000 3.354) 3.595 27.150 ( 0.401 0.000 2.528) 2.559 27.254 ( 1.854 0.000 -1.866) 2.631 27.786 ( -12.902 0.000 8.546) 15.475 27.817 ( -2.687 0.000 -14.490) 14.737 27.878 ( -8.795 0.000 10.162) 13.439 27.925 ( -0.649 0.000 -21.485) 21.495 28.959 ( -11.988 0.000 15.857) 19.879 29.383 ( 8.979 0.000 -8.948) 12.677 29.515 ( 10.793 0.000 -10.355) 14.958 29.591 ( 4.496 0.000 22.154) 22.605 ======================= Grid point 113 (57/78) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -6.504 0.000 2.491) 6.965 1.476 ( -25.434 0.000 8.024) 26.670 1.524 ( 5.561 0.000 2.496) 6.096 1.915 ( -13.150 0.000 21.332) 25.060 2.018 ( 0.889 0.000 13.201) 13.231 2.096 ( 0.271 0.000 5.728) 5.734 2.104 ( -13.231 0.000 -3.972) 13.814 2.490 ( -2.575 0.000 -4.472) 5.161 2.592 ( -11.571 0.000 -2.616) 11.863 2.680 ( -18.862 0.000 0.066) 18.862 2.810 ( -17.756 0.000 12.552) 21.744 3.111 ( -19.299 0.000 7.067) 20.552 3.116 ( -6.910 0.000 0.773) 6.953 3.267 ( -0.558 0.000 -6.093) 6.119 3.313 ( -3.105 0.000 -3.460) 4.649 3.347 ( 1.430 0.000 -1.402) 2.003 3.715 ( -1.490 0.000 -1.487) 2.105 3.739 ( -1.261 0.000 7.892) 7.992 3.760 ( 0.036 0.000 2.082) 2.082 3.906 ( 1.228 0.000 -2.122) 2.452 4.051 ( -18.854 0.000 3.676) 19.209 4.218 ( -9.277 0.000 1.924) 9.474 4.272 ( -2.647 0.000 -5.448) 6.057 4.509 ( 2.776 0.000 2.205) 3.545 4.587 ( 2.954 0.000 7.085) 7.676 4.852 ( -9.789 0.000 -16.319) 19.030 4.960 ( -0.098 0.000 -5.840) 5.841 5.761 ( -3.499 0.000 12.496) 12.976 5.874 ( -1.517 0.000 -17.812) 17.877 5.977 ( -9.352 0.000 12.942) 15.967 6.441 ( -9.512 0.000 27.536) 29.133 6.688 ( -11.029 0.000 6.598) 12.852 6.829 ( -8.006 0.000 -18.094) 19.786 7.016 ( 0.085 0.000 -3.077) 3.078 7.187 ( 2.374 0.000 -3.674) 4.375 7.246 ( -2.231 0.000 -15.598) 15.757 7.267 ( -34.165 0.000 10.838) 35.843 7.427 ( -9.948 0.000 -12.705) 16.136 7.775 ( 1.555 0.000 11.521) 11.625 7.831 ( -7.853 0.000 15.409) 17.295 7.888 ( 1.536 0.000 -20.408) 20.466 8.279 ( -2.245 0.000 1.475) 2.686 8.375 ( -9.425 0.000 20.899) 22.926 8.503 ( 8.744 0.000 -5.496) 10.328 8.665 ( 10.000 0.000 -32.114) 33.635 8.721 ( -3.100 0.000 6.224) 6.954 9.118 ( 11.662 0.000 -0.132) 11.663 9.397 ( -6.458 0.000 -17.170) 18.344 9.597 ( -4.180 0.000 7.526) 8.609 9.748 ( 1.294 0.000 -4.928) 5.095 10.057 ( -11.866 0.000 -6.309) 13.439 10.233 ( -13.126 0.000 2.934) 13.449 10.247 ( -3.370 0.000 0.528) 3.411 10.401 ( 7.451 0.000 4.324) 8.615 10.406 ( 7.614 0.000 4.508) 8.848 10.684 ( 16.026 0.000 -4.442) 16.630 10.704 ( 4.905 0.000 -10.851) 11.909 10.890 ( -6.320 0.000 2.847) 6.932 10.927 ( -7.103 0.000 -3.247) 7.810 11.238 ( -5.593 0.000 5.282) 7.693 11.240 ( 0.891 0.000 1.685) 1.906 11.355 ( 1.336 0.000 -3.041) 3.321 11.659 ( -0.390 0.000 6.938) 6.949 11.812 ( 7.378 0.000 6.320) 9.715 11.879 ( 5.385 0.000 -6.435) 8.391 11.970 ( 3.919 0.000 13.308) 13.873 12.109 ( 3.774 0.000 8.545) 9.342 12.214 ( -4.295 0.000 4.438) 6.176 12.259 ( 2.241 0.000 -11.693) 11.906 12.445 ( -7.905 0.000 13.455) 15.605 12.852 ( -4.724 0.000 5.003) 6.881 12.930 ( -6.372 0.000 -11.634) 13.264 12.951 ( -4.995 0.000 -7.175) 8.742 13.121 ( 5.035 0.000 -4.862) 7.000 13.232 ( -9.542 0.000 5.907) 11.222 13.555 ( -0.542 0.000 -1.523) 1.617 13.647 ( -0.442 0.000 4.081) 4.105 13.862 ( -5.753 0.000 3.033) 6.504 14.052 ( -1.414 0.000 -4.552) 4.766 14.141 ( -1.494 0.000 -3.656) 3.949 14.290 ( 2.735 0.000 -8.110) 8.558 14.752 ( -8.158 0.000 -9.506) 12.527 15.165 ( 15.763 0.000 0.485) 15.771 15.176 ( -0.952 0.000 3.978) 4.090 15.509 ( 6.135 0.000 9.909) 11.654 15.608 ( 12.013 0.000 -2.368) 12.244 15.815 ( 6.327 0.000 10.950) 12.647 15.924 ( 1.945 0.000 -3.584) 4.078 16.010 ( -3.393 0.000 7.096) 7.865 16.406 ( -12.007 0.000 -5.317) 13.131 16.600 ( -2.571 0.000 -2.409) 3.524 16.884 ( 13.011 0.000 13.040) 18.421 16.901 ( 7.349 0.000 0.296) 7.355 17.111 ( 8.086 0.000 10.859) 13.539 17.294 ( 18.535 0.000 -14.457) 23.507 18.659 ( 24.891 0.000 -10.585) 27.048 20.051 ( -1.022 0.000 2.023) 2.266 20.185 ( 7.992 0.000 -0.196) 7.995 20.421 ( -6.848 0.000 3.175) 7.548 20.493 ( 2.565 0.000 -7.229) 7.670 20.529 ( -1.592 0.000 -0.451) 1.655 20.648 ( 5.866 0.000 -2.081) 6.225 20.729 ( -1.987 0.000 1.614) 2.560 20.851 ( -0.071 0.000 0.321) 0.329 20.879 ( 8.013 0.000 1.320) 8.121 21.138 ( -7.158 0.000 3.785) 8.097 21.230 ( -3.418 0.000 -6.210) 7.089 21.359 ( 8.726 0.000 -7.616) 11.583 21.603 ( 0.290 0.000 -0.876) 0.923 21.624 ( 6.822 0.000 -2.459) 7.251 21.733 ( -0.915 0.000 0.509) 1.047 21.783 ( 1.439 0.000 6.311) 6.473 21.805 ( 0.442 0.000 -3.646) 3.673 21.951 ( 5.015 0.000 2.126) 5.447 21.961 ( -1.335 0.000 3.767) 3.996 22.066 ( -7.394 0.000 -0.495) 7.410 22.320 ( 8.556 0.000 -6.748) 10.897 22.371 ( 8.556 0.000 -0.842) 8.598 22.724 ( 8.177 0.000 4.302) 9.239 22.829 ( 10.807 0.000 3.274) 11.292 23.170 ( -8.418 0.000 -0.363) 8.426 23.366 ( -1.786 0.000 -5.343) 5.633 23.521 ( 1.183 0.000 3.008) 3.232 23.589 ( -14.975 0.000 1.615) 15.062 24.050 ( -23.676 0.000 8.906) 25.296 24.417 ( -8.356 0.000 -4.765) 9.619 24.553 ( -0.401 0.000 -0.345) 0.529 24.774 ( -1.680 0.000 -5.711) 5.953 24.778 ( -4.000 0.000 1.170) 4.168 24.956 ( -1.858 0.000 7.116) 7.354 25.082 ( -1.721 0.000 -2.660) 3.168 25.126 ( -4.276 0.000 -2.743) 5.080 25.270 ( -8.737 0.000 5.152) 10.143 25.475 ( 1.329 0.000 -9.856) 9.945 25.732 ( 2.941 0.000 -1.209) 3.180 25.793 ( 2.645 0.000 -0.128) 2.648 26.092 ( -0.722 0.000 5.155) 5.205 26.102 ( -3.351 0.000 1.796) 3.802 26.145 ( 0.057 0.000 0.383) 0.387 26.278 ( -1.131 0.000 6.389) 6.488 26.417 ( -1.281 0.000 4.928) 5.092 26.467 ( 6.935 0.000 -0.008) 6.935 26.614 ( -5.373 0.000 -3.643) 6.492 26.818 ( 1.656 0.000 2.018) 2.611 26.886 ( 0.660 0.000 -5.378) 5.418 27.008 ( -1.952 0.000 -2.233) 2.966 27.137 ( -4.282 0.000 -0.056) 4.283 27.209 ( -4.210 0.000 -3.118) 5.239 27.542 ( -11.322 0.000 -15.594) 19.271 27.630 ( -13.685 0.000 6.225) 15.035 27.787 ( 3.861 0.000 -11.794) 12.410 27.847 ( -4.527 0.000 8.143) 9.316 28.924 ( -10.551 0.000 17.287) 20.253 29.435 ( 8.174 0.000 -11.476) 14.090 29.644 ( 13.466 0.000 -6.427) 14.921 29.920 ( 10.795 0.000 16.600) 19.802 ======================= Grid point 114 (58/78) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -17.964 0.000 15.572) 23.774 1.216 ( -7.190 0.000 16.180) 17.706 1.652 ( 1.260 0.000 9.106) 9.193 1.853 ( -10.832 0.000 -2.263) 11.066 1.945 ( -12.282 0.000 14.174) 18.755 2.105 ( -3.988 0.000 12.149) 12.787 2.189 ( 5.061 0.000 -0.438) 5.080 2.336 ( -5.791 0.000 -9.222) 10.889 2.405 ( -18.037 0.000 38.283) 42.319 2.438 ( -5.168 0.000 2.131) 5.590 2.781 ( -1.934 0.000 4.783) 5.159 2.907 ( -14.372 0.000 9.089) 17.005 2.948 ( -9.320 0.000 -2.492) 9.648 3.207 ( 0.255 0.000 -4.530) 4.537 3.240 ( -1.088 0.000 -0.813) 1.359 3.342 ( -0.039 0.000 -4.266) 4.266 3.609 ( -7.889 0.000 -14.178) 16.225 3.743 ( 4.268 0.000 1.116) 4.411 3.772 ( -2.941 0.000 1.979) 3.545 3.895 ( 0.639 0.000 -2.208) 2.298 3.968 ( -0.958 0.000 21.770) 21.791 4.071 ( -8.791 0.000 -1.224) 8.875 4.226 ( -3.073 0.000 -0.866) 3.193 4.543 ( 0.153 0.000 -1.514) 1.522 4.633 ( -0.365 0.000 -6.808) 6.818 4.724 ( 2.770 0.000 7.666) 8.151 4.887 ( -1.397 0.000 -6.517) 6.665 5.568 ( -6.742 0.000 -28.630) 29.413 5.863 ( -13.997 0.000 13.867) 19.703 6.016 ( 4.792 0.000 20.328) 20.886 6.318 ( -20.667 0.000 -17.338) 26.976 6.476 ( -11.575 0.000 23.922) 26.576 6.602 ( -10.281 0.000 13.507) 16.975 6.809 ( -13.998 0.000 -4.430) 14.682 6.965 ( -14.298 0.000 14.512) 20.372 7.156 ( 4.415 0.000 -11.934) 12.724 7.295 ( 10.496 0.000 -25.156) 27.258 7.317 ( 10.211 0.000 6.392) 12.047 7.775 ( 10.819 0.000 -32.148) 33.920 7.809 ( -7.493 0.000 16.408) 18.038 8.024 ( 3.961 0.000 19.990) 20.379 8.198 ( -2.761 0.000 -6.049) 6.649 8.364 ( -3.217 0.000 -25.489) 25.691 8.422 ( -9.108 0.000 22.661) 24.423 8.694 ( 17.313 0.000 -16.271) 23.759 8.849 ( 8.187 0.000 7.669) 11.218 9.125 ( -4.388 0.000 -19.008) 19.508 9.386 ( 13.576 0.000 1.643) 13.675 9.567 ( -11.286 0.000 14.431) 18.320 9.630 ( -11.703 0.000 -4.459) 12.524 9.701 ( -8.858 0.000 -19.006) 20.969 10.056 ( -6.890 0.000 3.287) 7.634 10.216 ( -1.716 0.000 2.257) 2.835 10.486 ( -1.416 0.000 -2.355) 2.748 10.588 ( 0.802 0.000 1.296) 1.524 10.659 ( -0.529 0.000 -1.814) 1.890 10.691 ( -6.805 0.000 -5.553) 8.783 10.784 ( 8.722 0.000 -8.939) 12.489 10.999 ( 12.739 0.000 -3.641) 13.249 11.236 ( -1.279 0.000 9.104) 9.194 11.257 ( -1.294 0.000 2.261) 2.605 11.476 ( -4.463 0.000 6.140) 7.591 11.658 ( 5.823 0.000 -7.823) 9.753 11.863 ( 3.374 0.000 -5.308) 6.289 11.908 ( -7.959 0.000 -0.677) 7.988 12.039 ( -2.074 0.000 4.522) 4.975 12.248 ( 11.517 0.000 -4.594) 12.399 12.257 ( -3.050 0.000 7.107) 7.734 12.266 ( 14.132 0.000 5.174) 15.050 12.479 ( -6.919 0.000 11.150) 13.122 12.625 ( -13.356 0.000 0.388) 13.362 12.844 ( -4.883 0.000 7.084) 8.604 12.937 ( 6.337 0.000 -1.266) 6.462 13.087 ( -5.068 0.000 -11.273) 12.360 13.166 ( -1.395 0.000 6.846) 6.987 13.590 ( -5.381 0.000 2.942) 6.133 13.636 ( 8.889 0.000 -0.458) 8.900 13.899 ( -1.652 0.000 0.766) 1.821 13.977 ( -2.166 0.000 1.849) 2.848 14.088 ( -1.235 0.000 -2.235) 2.553 14.183 ( -2.817 0.000 -7.950) 8.434 14.565 ( 1.863 0.000 -19.224) 19.314 15.271 ( 6.967 0.000 5.629) 8.957 15.395 ( 9.766 0.000 6.815) 11.909 15.704 ( 4.308 0.000 -0.666) 4.359 15.772 ( 8.465 0.000 -1.450) 8.588 15.890 ( -1.065 0.000 -4.095) 4.232 15.890 ( -6.554 0.000 7.421) 9.901 16.172 ( -8.628 0.000 -1.261) 8.720 16.233 ( 7.927 0.000 26.248) 27.419 16.442 ( -8.791 0.000 -7.460) 11.530 17.015 ( 4.843 0.000 1.000) 4.945 17.055 ( 2.304 0.000 2.907) 3.709 17.355 ( 9.836 0.000 -23.228) 25.224 17.519 ( 12.680 0.000 28.095) 30.824 18.819 ( 9.841 0.000 -19.151) 21.531 20.080 ( 0.939 0.000 4.721) 4.813 20.299 ( 5.498 0.000 -2.253) 5.942 20.342 ( -7.477 0.000 7.717) 10.745 20.490 ( 5.046 0.000 -7.799) 9.289 20.545 ( 3.093 0.000 -0.369) 3.115 20.709 ( 4.472 0.000 -3.862) 5.909 20.719 ( -4.411 0.000 7.103) 8.362 20.818 ( -1.860 0.000 -2.026) 2.750 20.984 ( 1.272 0.000 1.297) 1.817 21.093 ( -2.028 0.000 5.008) 5.403 21.103 ( -2.900 0.000 -6.435) 7.058 21.361 ( 2.287 0.000 -9.264) 9.542 21.583 ( 0.814 0.000 -3.556) 3.647 21.646 ( 0.127 0.000 -6.177) 6.178 21.723 ( -0.162 0.000 1.041) 1.053 21.852 ( 4.314 0.000 1.022) 4.433 21.869 ( -0.321 0.000 8.777) 8.783 21.934 ( -2.015 0.000 -4.128) 4.594 21.990 ( -0.727 0.000 5.094) 5.146 22.041 ( 4.338 0.000 -2.757) 5.140 22.376 ( 7.766 0.000 -7.523) 10.812 22.484 ( 5.827 0.000 -2.052) 6.178 22.932 ( 7.249 0.000 6.724) 9.887 23.061 ( 6.413 0.000 5.829) 8.666 23.154 ( 3.640 0.000 4.172) 5.536 23.286 ( 1.211 0.000 -4.860) 5.009 23.354 ( -11.073 0.000 1.177) 11.136 23.537 ( -6.404 0.000 9.757) 11.670 23.743 ( -19.675 0.000 4.793) 20.251 24.203 ( -8.367 0.000 -9.634) 12.761 24.569 ( 0.953 0.000 1.645) 1.901 24.699 ( -2.554 0.000 1.609) 3.018 24.717 ( -3.176 0.000 -0.344) 3.195 24.995 ( -5.036 0.000 -5.587) 7.522 25.062 ( 0.139 0.000 -0.209) 0.251 25.067 ( 6.300 0.000 6.410) 8.988 25.170 ( -6.504 0.000 3.256) 7.273 25.405 ( 0.396 0.000 -7.613) 7.624 25.780 ( 3.282 0.000 -0.150) 3.286 25.840 ( 2.899 0.000 -1.034) 3.078 26.083 ( -1.719 0.000 2.629) 3.141 26.128 ( 1.919 0.000 -1.966) 2.748 26.177 ( 0.321 0.000 6.605) 6.613 26.358 ( 0.085 0.000 8.183) 8.183 26.434 ( -2.869 0.000 2.446) 3.770 26.500 ( 1.317 0.000 -0.441) 1.389 26.579 ( 7.636 0.000 -5.277) 9.282 26.798 ( -7.169 0.000 -6.061) 9.388 26.831 ( -2.621 0.000 -2.337) 3.512 26.917 ( -2.265 0.000 -5.494) 5.943 27.064 ( -7.949 0.000 -3.378) 8.637 27.067 ( -1.638 0.000 4.884) 5.151 27.246 ( -11.437 0.000 -0.215) 11.439 27.460 ( -10.888 0.000 2.755) 11.231 27.805 ( 7.673 0.000 -6.329) 9.947 27.858 ( -2.651 0.000 4.792) 5.477 28.942 ( -7.830 0.000 18.708) 20.280 29.431 ( 6.053 0.000 -14.530) 15.740 29.828 ( 12.887 0.000 -2.922) 13.214 30.159 ( 3.693 0.000 -0.157) 3.696 ======================= Grid point 115 (59/78) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -6.508 3.927 13.260) 15.284 1.375 ( 2.355 -3.434 -6.521) 7.737 1.690 ( 2.986 15.424 23.146) 27.974 1.819 ( 2.399 -2.433 3.676) 5.019 1.971 ( -6.872 -6.924 -1.907) 9.940 2.074 ( -8.292 11.075 -2.629) 14.083 2.281 ( 0.675 0.206 -3.517) 3.587 2.327 ( 10.557 3.028 -5.204) 12.153 2.497 ( -0.222 8.036 10.266) 13.039 2.682 ( -0.204 2.952 -7.906) 8.442 2.837 ( 5.541 9.744 6.103) 12.763 2.848 ( -4.844 3.135 2.738) 6.387 3.016 ( -4.302 3.568 25.425) 26.033 3.083 ( 4.081 -5.816 5.639) 9.071 3.182 ( -3.973 -6.021 -6.204) 9.515 3.349 ( -0.110 0.544 -10.355) 10.370 3.596 ( 6.270 11.770 9.275) 16.244 3.754 ( -1.673 0.694 4.797) 5.127 3.814 ( 1.326 1.389 -2.011) 2.781 3.911 ( -1.902 4.216 -5.168) 6.935 4.032 ( 3.392 3.442 0.268) 4.840 4.126 ( -7.221 4.681 -7.889) 11.674 4.216 ( 6.522 -3.157 15.342) 16.967 4.430 ( -4.818 -3.888 -7.478) 9.708 4.697 ( 3.125 2.411 10.721) 11.425 4.806 ( 1.540 0.677 -1.094) 2.006 4.834 ( 0.122 1.841 -1.713) 2.518 5.155 ( -1.880 -3.300 -26.743) 27.012 5.763 ( -3.846 2.654 9.139) 10.265 5.980 ( -0.391 0.622 -12.697) 12.718 6.386 ( -2.229 1.169 33.608) 33.703 6.500 ( 1.690 -2.623 5.849) 6.629 6.589 ( -0.772 -2.539 14.713) 14.950 6.630 ( -6.176 -6.363 18.963) 20.934 6.993 ( -4.653 5.678 13.878) 15.700 7.102 ( 8.403 0.600 -23.391) 24.862 7.221 ( 3.338 3.972 -21.875) 22.482 7.498 ( 3.169 -3.625 -29.365) 29.757 7.653 ( 7.986 1.466 7.065) 10.763 7.801 ( -4.268 -4.204 7.527) 9.620 8.007 ( -3.603 -2.349 -5.739) 7.172 8.137 ( 0.188 3.507 -12.933) 13.401 8.352 ( 3.228 2.273 16.387) 16.856 8.511 ( -7.748 1.065 15.460) 17.325 8.815 ( -4.669 1.886 -13.803) 14.693 8.920 ( 1.690 -4.851 3.496) 6.214 8.996 ( 5.296 0.475 -15.257) 16.157 9.143 ( -2.465 -12.859 -9.638) 16.258 9.483 ( -2.620 5.953 -0.180) 6.507 9.560 ( 5.560 8.569 -4.551) 11.183 9.752 ( 3.417 -3.410 10.909) 11.929 9.940 ( -0.451 -6.014 -6.525) 8.886 10.145 ( -7.818 -10.812 -0.368) 13.347 10.189 ( 2.280 -8.174 -4.833) 9.765 10.459 ( 5.323 -3.272 2.229) 6.634 10.550 ( 0.558 -6.031 -6.860) 9.152 10.745 ( -0.179 -3.262 3.724) 4.954 10.796 ( 0.753 -0.801 -2.196) 2.456 11.099 ( -2.171 1.733 2.095) 3.479 11.190 ( -1.466 1.593 -4.293) 4.808 11.322 ( 7.753 -0.865 7.585) 10.880 11.428 ( -6.253 7.080 -3.403) 10.041 11.660 ( -13.303 0.790 5.084) 14.263 11.749 ( 5.820 -3.194 -3.806) 7.653 11.864 ( 0.987 -4.014 6.142) 7.403 12.132 ( -1.589 -5.316 -12.977) 14.113 12.227 ( 4.042 4.858 0.747) 6.363 12.284 ( -4.451 -2.001 -2.054) 5.295 12.427 ( 2.889 -2.356 10.701) 11.332 12.519 ( 0.832 -0.572 3.529) 3.670 12.665 ( 6.083 0.700 7.640) 9.791 12.774 ( -3.172 -4.080 -3.190) 6.073 13.003 ( 3.199 12.591 8.195) 15.359 13.132 ( -5.885 9.772 -4.684) 12.332 13.380 ( 2.750 6.741 7.040) 10.128 13.544 ( -1.331 -0.773 -5.615) 5.822 13.707 ( -3.613 -0.848 1.656) 4.064 13.769 ( 3.967 -0.334 -4.372) 5.913 14.009 ( 0.769 -2.320 2.663) 3.614 14.117 ( 1.279 1.442 -8.756) 8.966 14.178 ( -2.741 11.630 10.871) 16.154 14.497 ( 1.959 8.887 -19.272) 21.313 15.442 ( 8.146 -1.535 6.201) 10.352 15.543 ( -4.361 -2.151 -2.943) 5.684 15.677 ( 1.305 0.202 3.074) 3.345 15.739 ( -3.732 -6.964 -1.011) 7.965 15.815 ( -4.204 -0.937 3.348) 5.455 15.859 ( -0.081 -0.125 -0.448) 0.473 16.091 ( 0.347 -11.590 6.207) 13.152 16.210 ( 0.538 -6.007 -6.071) 8.557 16.463 ( 1.636 -5.333 7.434) 9.295 16.587 ( -0.030 -21.310 -4.043) 21.690 17.300 ( 1.621 15.268 14.564) 21.163 17.647 ( -0.729 23.062 -19.261) 30.056 17.948 ( 4.489 -3.689 32.282) 32.801 18.555 ( -5.561 -5.859 -27.741) 28.893 20.212 ( 3.228 3.237 5.408) 7.081 20.315 ( -4.054 0.731 3.856) 5.643 20.320 ( -2.275 1.057 -1.005) 2.702 20.443 ( 4.253 -3.140 -3.856) 6.544 20.617 ( 0.826 0.159 0.991) 1.300 20.671 ( -3.281 1.644 -2.997) 4.738 20.744 ( -4.811 1.893 5.190) 7.325 20.860 ( 6.481 -0.961 -4.810) 8.128 21.024 ( -0.756 2.210 -1.889) 3.004 21.029 ( -1.333 2.985 -1.430) 3.568 21.169 ( 0.051 1.663 1.858) 2.493 21.282 ( 0.319 -1.154 -8.092) 8.180 21.554 ( -0.069 1.507 2.095) 2.581 21.633 ( -0.141 2.193 -5.198) 5.644 21.749 ( -1.696 -0.635 2.206) 2.854 21.804 ( 1.429 -1.165 -2.730) 3.295 21.961 ( -2.245 4.334 4.743) 6.806 21.985 ( -0.612 2.938 4.734) 5.605 22.050 ( 1.826 0.741 -4.137) 4.582 22.132 ( 4.111 5.094 -8.236) 10.520 22.454 ( 3.655 0.937 0.370) 3.791 22.500 ( -3.260 1.892 -3.797) 5.350 23.013 ( -1.385 -5.237 4.121) 6.806 23.051 ( -0.266 -1.990 -0.057) 2.008 23.187 ( -4.310 0.289 2.534) 5.008 23.242 ( 4.968 -1.654 -2.302) 5.720 23.409 ( -10.476 -4.254 1.176) 11.367 23.425 ( 13.389 -3.557 -0.211) 13.855 23.757 ( 3.059 8.064 14.723) 17.063 24.015 ( -3.503 3.021 -10.370) 11.355 24.590 ( 0.167 -1.860 3.367) 3.850 24.629 ( -1.201 -2.619 -0.464) 2.918 24.774 ( 2.891 2.814 6.251) 7.440 24.889 ( -3.361 2.507 -5.309) 6.765 25.087 ( 1.771 -0.160 1.158) 2.122 25.103 ( -1.581 0.870 -0.496) 1.872 25.235 ( 3.901 -1.131 4.395) 5.985 25.348 ( 0.070 1.682 -7.358) 7.548 25.730 ( -4.315 -13.494 8.360) 16.449 25.830 ( 1.553 -4.691 -3.070) 5.818 26.058 ( 1.038 2.853 3.029) 4.289 26.092 ( -0.712 2.833 -0.012) 2.921 26.264 ( 0.708 0.894 5.967) 6.075 26.367 ( -3.745 -1.426 5.958) 7.180 26.387 ( -1.136 0.209 -2.095) 2.392 26.549 ( 3.845 -2.314 -7.135) 8.429 26.637 ( 4.498 -2.593 -1.249) 5.340 26.660 ( -3.413 -1.619 -2.961) 4.800 26.794 ( 1.781 4.538 0.311) 4.885 26.828 ( -5.273 2.848 -2.365) 6.443 27.028 ( 1.776 -0.836 2.008) 2.808 27.061 ( -1.078 1.600 -2.129) 2.873 27.258 ( 5.728 -1.613 0.954) 6.026 27.301 ( -2.456 -2.100 -3.084) 4.467 27.779 ( -2.657 -2.554 3.800) 5.294 27.882 ( 6.069 -1.842 -6.881) 9.358 29.071 ( -6.396 5.569 18.794) 20.619 29.383 ( 3.295 1.083 -11.800) 12.299 29.854 ( -5.865 -8.180 9.488) 13.832 30.025 ( 2.215 -4.070 -8.178) 9.399 ======================= Grid point 116 (60/78) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -5.255 -5.781 9.409) 12.230 1.395 ( 5.572 1.370 -3.082) 6.513 1.791 ( 0.056 -3.070 -0.819) 3.178 1.876 ( -0.573 4.178 -9.426) 10.326 2.051 ( 10.596 1.346 7.787) 13.218 2.092 ( 7.040 6.582 16.500) 19.108 2.272 ( 4.698 -4.652 -7.434) 9.949 2.467 ( 13.650 10.765 -8.195) 19.219 2.589 ( 3.074 2.853 -0.828) 4.275 2.699 ( 5.926 3.486 0.018) 6.875 2.815 ( -0.297 7.312 -1.128) 7.404 2.961 ( 6.697 4.850 1.193) 8.354 3.067 ( -0.790 -5.164 -3.006) 6.027 3.184 ( 2.849 -1.776 7.785) 8.478 3.271 ( 4.116 -0.549 4.148) 5.869 3.350 ( 11.727 -1.435 -0.909) 11.849 3.676 ( -1.330 9.829 -13.314) 16.602 3.735 ( -1.941 2.926 2.822) 4.504 3.809 ( 1.029 1.026 -1.408) 2.023 3.890 ( -1.196 0.143 0.662) 1.374 4.031 ( 7.775 10.074 4.052) 13.355 4.187 ( 4.734 4.324 1.072) 6.501 4.275 ( 0.055 -6.177 -4.729) 7.780 4.439 ( 4.406 -2.642 6.739) 8.473 4.657 ( -6.050 5.620 -6.011) 10.214 4.868 ( 2.278 -0.542 -3.658) 4.343 4.925 ( 4.467 -1.934 -6.347) 7.998 4.997 ( 6.778 0.414 11.587) 13.431 5.997 ( 12.880 3.710 18.574) 22.906 6.066 ( 20.837 1.254 -9.882) 23.096 6.557 ( 1.646 -2.071 7.194) 7.665 6.659 ( 0.820 3.246 -2.752) 4.334 6.759 ( 9.023 -0.077 14.861) 17.386 6.837 ( 10.951 0.567 -21.659) 24.277 6.880 ( -3.688 -2.501 25.013) 25.407 7.078 ( 1.590 -2.412 -9.981) 10.391 7.170 ( 3.671 2.805 4.874) 6.716 7.203 ( 1.120 -1.548 -25.959) 26.029 7.595 ( -14.179 2.417 -16.015) 21.526 7.802 ( -4.042 -3.501 11.228) 12.436 7.933 ( -0.820 -4.052 11.351) 12.080 8.145 ( 5.118 4.136 -0.587) 6.606 8.381 ( -10.390 -4.897 -12.582) 17.037 8.528 ( -5.269 2.533 12.468) 13.770 8.744 ( 1.212 4.027 14.021) 14.638 8.923 ( 3.515 -0.547 -12.567) 13.061 8.998 ( 0.173 -4.352 -0.150) 4.358 9.058 ( 5.747 -3.156 -0.025) 6.556 9.572 ( 10.385 4.688 1.142) 11.451 9.692 ( 6.645 7.916 -0.237) 10.338 9.830 ( 2.850 -8.759 -13.815) 16.604 9.954 ( 9.718 -11.220 2.836) 15.112 10.106 ( -2.432 -11.111 6.986) 13.348 10.283 ( 8.753 -9.687 3.079) 13.414 10.422 ( -1.405 -3.662 -4.978) 6.338 10.530 ( 0.847 -3.369 -3.706) 5.080 10.714 ( -5.876 0.217 1.669) 6.112 10.773 ( -0.941 -0.916 -2.839) 3.128 11.124 ( -0.351 5.916 -2.458) 6.415 11.234 ( -1.498 -1.692 -1.655) 2.801 11.252 ( 0.535 0.668 2.916) 3.039 11.404 ( -4.704 1.922 6.413) 8.183 11.630 ( 1.843 1.796 8.084) 8.484 11.810 ( -2.292 -3.688 3.286) 5.446 11.913 ( 0.691 -0.346 -10.127) 10.157 11.943 ( -3.878 -2.725 8.557) 9.782 12.220 ( -1.443 -1.928 -3.485) 4.236 12.344 ( 2.496 3.625 3.436) 5.584 12.462 ( -1.579 1.213 -6.872) 7.155 12.550 ( 2.056 0.198 4.105) 4.595 12.721 ( 3.575 2.111 -8.030) 9.040 12.772 ( 1.957 -4.016 2.171) 4.967 13.033 ( -2.013 2.374 -1.858) 3.625 13.182 ( 7.885 16.136 5.654) 18.829 13.419 ( -2.828 1.912 -10.994) 11.512 13.470 ( -0.952 0.722 9.385) 9.460 13.659 ( -2.278 3.021 0.525) 3.820 13.780 ( 0.072 -1.375 -0.624) 1.512 14.012 ( 0.074 -4.055 -0.698) 4.115 14.141 ( 5.694 1.551 -2.036) 6.242 14.280 ( -1.072 10.065 14.443) 17.637 14.337 ( -0.686 9.517 -13.773) 16.755 15.373 ( -4.985 -0.792 -6.365) 8.123 15.533 ( -4.399 -3.465 -1.967) 5.935 15.648 ( -4.959 1.513 1.596) 5.424 15.717 ( -6.637 1.635 5.868) 9.009 15.770 ( -0.295 -4.531 0.882) 4.625 15.920 ( 5.253 -2.068 3.003) 6.394 16.133 ( 0.840 -13.888 0.507) 13.923 16.228 ( 2.614 -15.558 -0.587) 15.787 16.515 ( 0.595 -8.432 -4.896) 9.769 16.539 ( -0.678 -10.381 2.607) 10.725 17.365 ( -9.239 19.287 -13.628) 25.358 17.422 ( -5.674 19.065 12.359) 23.418 18.075 ( -16.036 -4.242 -30.558) 34.770 18.240 ( -8.226 -6.217 31.804) 33.434 20.225 ( -2.530 2.083 -5.681) 6.558 20.269 ( -4.243 3.647 4.148) 6.965 20.331 ( 0.144 0.191 4.430) 4.437 20.473 ( 4.342 -1.208 -5.069) 6.783 20.544 ( -5.640 1.344 1.019) 5.887 20.653 ( -3.021 1.730 3.381) 4.853 20.764 ( 1.327 -2.942 1.547) 3.579 20.877 ( 1.257 -1.779 -4.571) 5.064 21.017 ( 0.298 3.672 2.263) 4.323 21.041 ( 1.773 3.726 1.069) 4.263 21.211 ( 1.164 0.091 2.549) 2.804 21.225 ( 1.180 0.004 -3.280) 3.485 21.537 ( -3.514 1.707 0.813) 3.990 21.579 ( -1.891 1.640 0.497) 2.552 21.739 ( -2.117 -1.342 1.657) 3.005 21.837 ( 3.740 -0.864 -1.479) 4.114 21.914 ( -6.505 4.467 2.161) 8.181 21.986 ( -2.180 4.034 1.726) 4.900 22.049 ( 1.924 -0.018 -2.565) 3.207 22.127 ( 2.929 0.498 -5.096) 5.899 22.357 ( -6.970 4.888 -2.831) 8.972 22.455 ( -4.851 1.185 1.444) 5.198 22.949 ( -6.599 -3.794 0.175) 7.614 22.974 ( -12.661 -11.484 3.220) 17.394 23.211 ( 7.281 2.844 -3.078) 8.401 23.274 ( 0.422 1.406 -1.285) 1.951 23.414 ( 11.062 -1.344 -4.249) 11.926 23.651 ( 7.773 -3.842 1.340) 8.774 23.900 ( 7.433 4.348 -4.040) 9.511 24.029 ( 11.269 4.532 5.197) 13.211 24.600 ( -0.898 -1.182 -1.106) 1.851 24.643 ( 1.895 -2.415 2.606) 4.027 24.799 ( -0.437 3.046 -4.698) 5.616 24.909 ( 5.348 2.777 5.542) 8.187 25.066 ( -1.469 1.522 -0.306) 2.137 25.128 ( 1.342 -0.583 -0.752) 1.645 25.294 ( 2.044 1.417 -2.004) 3.194 25.310 ( 2.352 0.685 -2.047) 3.192 25.727 ( -3.068 -7.726 4.948) 9.673 25.834 ( 0.849 -3.288 -1.592) 3.750 26.051 ( -1.074 1.175 -0.701) 1.740 26.135 ( 3.452 0.955 0.217) 3.588 26.288 ( -1.206 0.253 -2.173) 2.499 26.326 ( -4.977 -0.768 4.854) 6.994 26.396 ( 0.948 -0.328 3.095) 3.254 26.541 ( 3.205 -3.684 -6.894) 8.448 26.586 ( -1.772 1.906 -1.797) 3.163 26.709 ( 2.309 -0.959 3.761) 4.516 26.775 ( 3.131 -0.176 -0.835) 3.245 26.896 ( 3.160 4.811 2.873) 6.434 27.010 ( 1.942 -0.705 0.905) 2.256 27.170 ( 0.288 -0.934 -4.644) 4.746 27.213 ( 7.534 -2.850 0.758) 8.091 27.428 ( 8.212 -7.311 -0.544) 11.008 27.752 ( -0.399 2.164 -0.259) 2.216 27.933 ( 7.030 -2.826 -6.994) 10.311 29.141 ( -6.412 3.936 17.694) 19.227 29.319 ( 3.132 2.781 -12.160) 12.861 29.721 ( -15.130 -2.111 6.557) 16.624 30.034 ( 1.099 -7.175 -1.439) 7.400 ======================= Grid point 117 (61/78) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -8.117 -7.615 6.598) 12.938 1.486 ( 3.361 1.579 4.952) 6.190 1.761 ( -2.948 2.072 -6.341) 7.294 1.902 ( 11.985 -3.059 -2.608) 12.641 2.189 ( 5.209 -2.219 -0.761) 5.713 2.244 ( 0.240 -2.366 -6.926) 7.323 2.424 ( 13.606 3.827 2.832) 14.415 2.587 ( 6.713 10.426 -11.188) 16.701 2.625 ( 6.475 3.566 -8.310) 11.122 2.720 ( 5.441 2.215 -0.182) 5.878 2.897 ( 3.855 5.764 3.923) 7.967 3.055 ( 4.039 -1.237 4.042) 5.846 3.164 ( 9.641 2.211 1.618) 10.023 3.257 ( 0.191 -0.434 1.958) 2.015 3.349 ( 2.955 3.159 2.192) 4.849 3.558 ( 11.163 -5.825 -8.460) 15.169 3.604 ( 4.170 6.638 -4.497) 9.037 3.738 ( 4.016 3.725 0.890) 5.549 3.847 ( 0.521 1.653 1.051) 2.027 3.884 ( 1.980 1.621 5.752) 6.296 4.102 ( 2.798 -3.413 -6.452) 7.817 4.248 ( 6.386 1.760 3.087) 7.308 4.361 ( 3.388 2.738 -5.745) 7.209 4.503 ( -0.175 -2.140 0.224) 2.158 4.578 ( 0.601 5.906 4.254) 7.303 4.854 ( 7.908 -1.758 -14.362) 16.489 4.922 ( 4.483 4.771 1.122) 6.643 5.383 ( 9.609 -3.182 23.537) 25.621 6.223 ( -5.999 8.387 -19.214) 21.806 6.339 ( 13.223 2.898 -20.053) 24.195 6.406 ( 1.590 6.315 26.143) 26.942 6.801 ( 3.793 -4.311 4.411) 7.241 6.845 ( -1.724 -2.712 -0.282) 3.226 6.910 ( 3.086 2.143 -0.587) 3.803 7.012 ( 4.703 -0.944 -11.897) 12.827 7.105 ( 8.774 -0.275 12.678) 15.420 7.243 ( -0.755 3.260 -5.250) 6.226 7.371 ( 25.978 -7.554 -5.351) 27.578 7.460 ( 15.598 -1.594 15.013) 21.708 7.810 ( -2.868 -9.850 4.513) 11.208 8.034 ( -2.381 -9.349 -0.977) 9.697 8.100 ( -4.224 -1.873 0.326) 4.632 8.200 ( -5.157 5.280 9.588) 12.100 8.546 ( 1.375 6.087 4.483) 7.684 8.822 ( 4.064 -3.690 -9.137) 10.659 8.870 ( 8.632 1.189 -18.450) 20.404 9.106 ( 5.793 6.185 16.208) 18.290 9.194 ( 1.516 -2.335 0.359) 2.807 9.718 ( 5.073 4.126 9.559) 11.581 9.729 ( -1.639 6.579 0.808) 6.829 9.859 ( 11.637 -1.413 -14.430) 18.591 10.063 ( 3.184 -6.844 5.568) 9.380 10.160 ( -3.069 -19.240 4.012) 19.892 10.390 ( -2.911 -7.922 -1.635) 8.597 10.497 ( 10.912 3.383 -1.223) 11.490 10.560 ( 12.168 -12.720 -2.671) 17.805 10.610 ( -5.685 4.704 -0.572) 7.401 10.732 ( -1.285 1.807 0.112) 2.220 11.036 ( -5.940 -4.882 -1.664) 7.867 11.095 ( -4.014 -0.355 -0.616) 4.076 11.316 ( 1.063 1.439 2.425) 3.013 11.511 ( 2.491 -3.924 -0.635) 4.691 11.655 ( -4.880 2.308 0.753) 5.451 11.778 ( 3.584 3.329 10.072) 11.197 11.921 ( -3.165 3.800 1.432) 5.149 12.026 ( 1.022 -3.060 7.736) 8.382 12.147 ( -3.468 0.021 -5.512) 6.512 12.193 ( -4.851 4.646 -7.710) 10.226 12.551 ( 2.206 -0.528 -3.909) 4.519 12.623 ( 6.207 -2.639 7.936) 10.415 12.665 ( 0.429 5.563 -8.814) 10.432 12.877 ( 10.513 -4.536 -2.527) 11.725 12.983 ( 0.190 2.350 -4.627) 5.193 13.225 ( -1.271 10.313 -6.864) 12.454 13.371 ( 6.670 4.081 -3.473) 8.556 13.552 ( 1.683 3.597 7.240) 8.258 13.665 ( -0.858 4.373 5.283) 6.912 13.771 ( -2.372 -4.168 1.890) 5.155 14.021 ( 2.755 -4.887 -2.575) 6.173 14.159 ( 1.411 2.735 -5.959) 6.707 14.289 ( 2.330 4.402 0.246) 4.987 14.450 ( 3.440 10.969 19.716) 22.823 15.264 ( -1.052 -1.715 -9.842) 10.046 15.381 ( -6.687 0.554 -5.039) 8.391 15.511 ( -10.302 0.599 0.146) 10.321 15.612 ( -9.552 0.736 1.912) 9.769 15.785 ( -1.724 -6.108 2.463) 6.808 15.958 ( -4.523 -7.660 -6.348) 10.928 16.126 ( -1.521 -13.597 -4.759) 14.486 16.251 ( 2.667 -11.052 8.748) 14.345 16.529 ( -0.275 -5.134 2.236) 5.607 16.578 ( 6.522 -4.132 -1.856) 7.941 17.050 ( -11.052 10.087 -11.205) 18.693 17.374 ( -14.937 11.883 -3.381) 19.384 17.519 ( -16.674 4.740 -9.984) 20.004 18.257 ( -21.632 -6.232 24.412) 33.207 20.140 ( -1.821 2.272 -3.760) 4.755 20.199 ( -7.164 2.348 1.226) 7.638 20.327 ( -3.636 -0.111 2.441) 4.380 20.467 ( -0.815 0.951 -0.752) 1.461 20.529 ( 1.544 0.330 1.574) 2.229 20.627 ( -2.263 1.564 1.990) 3.395 20.792 ( -1.691 -4.444 2.368) 5.312 20.809 ( -4.494 -2.245 -2.387) 5.561 20.964 ( -3.540 3.955 -2.570) 5.898 21.140 ( 3.134 6.483 4.231) 8.352 21.229 ( 3.047 -0.394 -2.071) 3.705 21.289 ( 0.770 3.047 4.706) 5.659 21.503 ( -0.269 -1.290 -0.237) 1.339 21.573 ( -1.978 -1.551 4.577) 5.221 21.683 ( -4.996 1.771 0.460) 5.320 21.845 ( -1.123 1.912 1.564) 2.713 21.874 ( -1.531 1.523 1.373) 2.559 21.998 ( 2.759 2.119 0.681) 3.545 22.032 ( 2.431 -0.418 -7.976) 8.349 22.148 ( -0.641 -0.415 4.871) 4.931 22.243 ( -2.074 3.084 -5.096) 6.307 22.364 ( -6.065 4.018 1.067) 7.353 22.752 ( -12.004 -8.751 -0.332) 14.859 22.805 ( -11.052 -3.410 -1.363) 11.646 23.251 ( 4.189 1.242 -7.127) 8.360 23.301 ( 4.235 -1.168 -2.170) 4.900 23.564 ( 5.444 0.924 -1.040) 5.619 23.705 ( 4.738 4.006 -0.150) 6.206 24.132 ( 18.502 -3.042 -1.971) 18.854 24.284 ( 11.478 0.369 5.250) 12.627 24.572 ( -0.835 0.838 -0.746) 1.398 24.697 ( 1.813 -2.932 1.380) 3.713 24.804 ( 4.317 3.158 -1.760) 5.631 25.016 ( 3.561 -1.662 -1.521) 4.214 25.050 ( -0.519 2.246 0.911) 2.479 25.150 ( 3.581 3.612 0.310) 5.095 25.315 ( -1.957 0.137 5.892) 6.210 25.392 ( 10.231 2.716 -4.209) 11.391 25.724 ( -2.460 -1.846 3.265) 4.486 25.825 ( 0.078 1.435 -1.181) 1.860 26.054 ( 2.441 -2.406 -0.261) 3.438 26.181 ( 3.079 2.990 -1.943) 4.711 26.230 ( -0.957 0.972 -4.216) 4.431 26.284 ( -1.716 -4.157 -0.619) 4.540 26.468 ( 2.117 -0.669 2.993) 3.726 26.517 ( -0.151 0.633 -3.407) 3.469 26.556 ( 2.620 -0.342 -4.452) 5.177 26.773 ( -0.890 -0.470 5.925) 6.010 26.840 ( 1.819 -1.134 1.401) 2.561 26.963 ( 2.122 2.054 0.094) 2.955 27.067 ( 1.709 -5.157 3.520) 6.474 27.156 ( 3.534 0.445 -1.648) 3.924 27.369 ( 6.265 -4.324 2.422) 7.988 27.513 ( 0.812 -7.506 5.640) 9.424 27.819 ( 11.212 3.884 -5.831) 13.221 27.983 ( 8.061 -2.098 -8.479) 11.886 29.185 ( -7.137 2.218 14.979) 16.740 29.268 ( 3.785 2.229 -10.250) 11.152 29.532 ( -12.983 2.336 4.883) 14.066 29.984 ( -4.272 -7.962 -3.457) 9.675 ======================= Grid point 118 (62/78) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -3.447 -3.422 11.390) 12.383 1.563 ( -1.229 8.686 0.306) 8.778 1.669 ( -1.293 -2.794 2.088) 3.720 2.085 ( 6.096 -3.315 -10.173) 12.314 2.107 ( 3.272 -3.777 -2.935) 5.795 2.315 ( 8.172 -2.714 -1.395) 8.723 2.464 ( 4.648 3.124 -13.681) 14.782 2.637 ( 7.044 4.632 -4.078) 9.365 2.728 ( 6.799 0.908 -0.311) 6.866 2.821 ( 4.170 6.020 0.996) 7.390 2.999 ( 4.261 1.023 4.527) 6.301 3.185 ( 2.055 0.343 3.675) 4.225 3.229 ( -1.085 -0.231 0.877) 1.414 3.320 ( 7.549 2.611 -0.233) 7.991 3.411 ( 1.461 5.068 2.686) 5.918 3.648 ( 7.952 -5.061 -4.814) 10.584 3.650 ( 1.536 1.452 1.299) 2.481 3.800 ( -2.114 1.370 1.201) 2.791 3.858 ( 5.739 2.412 -2.648) 6.765 3.960 ( 0.180 4.483 3.084) 5.445 4.232 ( 5.994 -4.405 3.787) 8.347 4.288 ( 2.191 1.341 -5.534) 6.101 4.366 ( 3.465 -0.254 -0.604) 3.527 4.469 ( 0.558 -6.019 -3.237) 6.857 4.731 ( 11.439 4.249 5.623) 13.435 4.925 ( 12.766 0.403 -6.664) 14.407 5.056 ( 5.786 10.036 5.977) 13.036 5.691 ( 4.756 -3.874 13.348) 14.690 5.963 ( -3.059 10.035 -8.827) 13.711 6.313 ( 6.080 2.587 -13.693) 15.204 6.563 ( -12.592 6.293 23.579) 27.462 6.702 ( -4.719 -1.440 -5.581) 7.449 6.773 ( -3.679 0.723 -3.635) 5.223 6.885 ( -4.726 -2.183 0.078) 5.206 7.078 ( -7.380 -3.273 21.496) 22.962 7.372 ( 14.715 0.345 -7.687) 16.605 7.397 ( 8.241 -1.271 11.437) 14.154 7.750 ( 6.681 -7.330 2.736) 10.288 7.771 ( 3.848 -7.311 -4.864) 9.587 7.863 ( 5.666 -11.122 8.146) 14.905 7.957 ( 19.214 -4.958 -6.111) 20.763 8.179 ( -4.131 5.222 3.864) 7.698 8.270 ( 9.571 -7.461 7.973) 14.520 8.682 ( 12.560 3.994 -2.854) 13.485 8.778 ( 6.950 3.175 -17.325) 18.935 8.920 ( 13.010 -0.827 -8.532) 15.580 9.168 ( 2.563 8.491 -4.992) 10.178 9.401 ( 9.072 3.824 15.310) 18.202 9.713 ( 1.800 1.778 1.027) 2.730 9.813 ( -1.168 3.354 -14.588) 15.014 9.968 ( 4.772 -1.491 11.647) 12.675 10.064 ( -5.699 -9.266 10.031) 14.797 10.167 ( -3.774 -2.139 0.406) 4.357 10.284 ( -0.961 -2.152 -3.121) 3.911 10.417 ( -10.130 6.888 -5.360) 13.372 10.670 ( 10.558 -0.654 -6.258) 12.291 10.745 ( 1.621 2.501 -3.528) 4.618 10.789 ( 11.174 -12.276 0.988) 16.629 11.013 ( -1.417 -8.721 9.796) 13.191 11.066 ( 3.646 -3.843 -1.399) 5.479 11.345 ( -2.166 2.353 0.744) 3.284 11.540 ( 4.932 1.947 -4.118) 6.714 11.581 ( 0.451 -6.441 -2.565) 6.948 11.835 ( -3.359 4.783 -5.624) 8.111 11.857 ( -7.503 -1.349 -1.908) 7.859 11.981 ( -2.947 0.248 -5.970) 6.663 12.057 ( -1.972 -1.746 9.868) 10.213 12.161 ( -3.626 7.029 1.143) 7.991 12.464 ( -3.749 6.826 -4.856) 9.178 12.599 ( -0.468 5.108 -3.442) 6.177 12.805 ( 8.055 -3.265 2.621) 9.078 13.014 ( 8.455 1.416 -3.415) 9.228 13.071 ( 13.561 -4.432 -4.622) 14.997 13.194 ( 4.669 1.600 -2.672) 5.613 13.466 ( 3.910 2.612 -0.352) 4.715 13.652 ( 0.631 8.833 -0.979) 8.909 13.701 ( 6.846 7.632 6.834) 12.321 13.785 ( 1.093 -7.277 6.120) 9.571 14.094 ( 5.402 -3.201 3.118) 7.011 14.158 ( 3.281 0.228 -3.224) 4.606 14.305 ( 0.052 5.707 1.643) 5.939 14.760 ( 4.164 4.324 17.101) 18.124 15.024 ( -6.415 -2.432 -15.346) 16.809 15.267 ( -7.385 0.665 0.405) 7.426 15.377 ( -4.007 1.501 -0.808) 4.355 15.486 ( -4.343 -0.862 -0.289) 4.437 15.667 ( -15.891 -7.527 -7.398) 19.077 15.738 ( -7.537 -5.622 0.106) 9.404 16.115 ( 2.716 -3.076 -2.089) 4.605 16.335 ( -4.887 -15.269 6.047) 17.134 16.571 ( 1.855 -3.071 1.504) 3.891 16.649 ( 2.862 -0.021 -2.094) 3.547 16.801 ( -9.254 2.257 -5.582) 11.040 16.900 ( -10.993 -1.220 -18.978) 21.965 17.344 ( -14.213 16.771 8.449) 23.551 18.004 ( -29.228 -3.943 15.011) 33.094 20.072 ( -5.990 1.335 -0.094) 6.137 20.100 ( -1.423 1.776 -0.570) 2.346 20.294 ( -3.738 -3.069 3.972) 6.259 20.456 ( -3.177 0.356 2.675) 4.168 20.552 ( -0.938 -1.221 -0.648) 1.671 20.624 ( -1.876 1.389 6.561) 6.964 20.697 ( -3.656 -2.424 0.008) 4.387 20.791 ( -1.174 1.676 1.612) 2.605 20.897 ( -1.309 3.640 -1.921) 4.319 21.163 ( -4.522 5.527 3.293) 7.864 21.262 ( 0.286 -0.386 1.393) 1.473 21.314 ( 1.754 2.980 -0.771) 3.543 21.512 ( 1.609 -1.611 -1.694) 2.838 21.592 ( -0.733 -5.446 4.016) 6.806 21.643 ( -0.276 2.248 -0.178) 2.272 21.823 ( 0.557 1.590 -5.698) 5.942 21.877 ( -3.184 1.443 6.388) 7.282 21.957 ( -0.011 -0.192 -8.846) 8.848 22.074 ( 3.377 0.910 -1.002) 3.638 22.120 ( -4.796 2.011 -0.952) 5.287 22.217 ( -0.513 -0.693 0.130) 0.872 22.302 ( 0.393 5.457 -0.857) 5.537 22.562 ( -11.639 -5.540 -0.855) 12.918 22.623 ( -5.645 -1.366 -0.281) 5.815 23.300 ( 6.583 -0.567 -1.032) 6.687 23.332 ( 2.134 -3.191 -1.932) 4.297 23.582 ( -0.791 6.133 1.802) 6.441 23.828 ( 6.842 1.539 0.122) 7.014 24.400 ( 12.856 -3.247 -0.518) 13.270 24.496 ( 7.783 -1.895 3.985) 8.947 24.584 ( 3.165 0.564 0.812) 3.316 24.736 ( 2.124 -3.088 0.795) 3.831 24.876 ( 5.273 3.546 -1.880) 6.627 25.046 ( 2.906 0.257 -1.912) 3.488 25.068 ( 0.050 2.059 3.859) 4.374 25.191 ( -0.034 0.418 -1.313) 1.379 25.376 ( 0.379 2.854 9.135) 9.578 25.510 ( 8.153 1.964 -5.841) 10.220 25.711 ( -1.679 1.605 1.967) 3.044 25.818 ( 0.610 3.922 -1.236) 4.157 26.118 ( 4.245 -2.818 0.316) 5.105 26.192 ( 0.940 1.556 -2.965) 3.478 26.212 ( 3.496 3.075 -2.850) 5.459 26.270 ( 2.563 -4.680 -3.234) 6.239 26.470 ( 0.246 2.809 -4.208) 5.065 26.482 ( 0.181 0.580 -3.443) 3.496 26.599 ( 1.842 -4.367 0.020) 4.740 26.792 ( -3.334 -0.190 5.168) 6.153 26.838 ( -0.672 1.731 -0.079) 1.859 26.997 ( 2.248 -3.109 -0.776) 3.914 27.107 ( -2.242 -6.961 4.243) 8.455 27.173 ( 0.551 -2.922 -3.452) 4.556 27.518 ( 3.141 -2.177 14.161) 14.668 27.607 ( 1.700 -2.390 8.539) 9.029 27.965 ( 12.951 1.501 -8.348) 15.481 28.054 ( 10.246 -1.314 -9.328) 13.918 29.184 ( -8.144 1.187 11.686) 14.293 29.243 ( 0.370 -0.391 -3.226) 3.271 29.394 ( -4.823 5.342 -1.099) 7.281 29.839 ( -4.730 -5.873 -9.445) 12.086 ======================= Grid point 119 (63/78) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -6.285 1.922 11.066) 12.870 1.479 ( -1.087 9.816 -6.802) 11.991 1.749 ( -0.056 -4.746 10.678) 11.686 1.991 ( 4.256 1.155 -8.346) 9.440 2.265 ( 7.541 -9.585 0.852) 12.225 2.421 ( 4.429 -6.946 -1.485) 8.370 2.464 ( 7.580 -1.237 -6.968) 10.370 2.697 ( -3.570 -4.460 -2.158) 6.106 2.764 ( 7.242 8.913 -1.245) 11.552 2.893 ( 0.692 7.111 1.498) 7.300 3.109 ( 3.904 -1.564 1.531) 4.475 3.149 ( -1.739 0.342 0.666) 1.894 3.307 ( 3.300 1.357 2.219) 4.202 3.419 ( 3.066 4.571 -0.051) 5.504 3.456 ( 2.418 4.577 1.336) 5.346 3.648 ( -1.217 -0.186 -2.012) 2.359 3.689 ( -0.508 -0.555 -1.161) 1.383 3.765 ( -1.782 0.129 0.504) 1.857 3.926 ( 2.960 1.907 0.952) 3.647 3.984 ( -0.897 1.403 3.237) 3.640 4.237 ( -2.848 2.062 -1.697) 3.904 4.266 ( -0.530 -1.559 1.104) 1.982 4.463 ( 1.998 -3.668 -3.938) 5.741 4.479 ( 7.339 -4.461 -2.344) 8.903 5.042 ( 10.258 0.332 9.462) 13.960 5.120 ( 15.905 0.205 -4.470) 16.522 5.228 ( 6.927 9.394 10.218) 15.513 5.794 ( -1.459 -4.713 3.085) 5.819 5.936 ( 1.460 9.556 2.782) 10.060 6.371 ( 8.951 4.426 1.179) 10.055 6.441 ( -16.326 3.024 4.317) 17.155 6.631 ( -12.865 4.650 6.892) 15.318 6.718 ( 11.593 -2.018 -4.778) 12.701 6.945 ( 6.786 -5.418 10.229) 13.418 7.084 ( -14.117 -2.081 19.422) 24.101 7.423 ( -1.928 -4.116 0.778) 4.611 7.542 ( -2.258 -0.990 8.207) 8.569 7.721 ( -3.881 -1.528 5.413) 6.834 7.813 ( -0.632 -7.700 2.938) 8.266 7.959 ( -3.595 -4.903 9.856) 11.580 8.136 ( 10.943 -4.089 -21.138) 24.151 8.361 ( 13.147 -2.625 -6.148) 14.749 8.435 ( 10.117 -7.090 -0.312) 12.358 8.748 ( 3.408 4.785 -10.596) 12.115 8.787 ( 10.181 7.736 -12.640) 17.980 9.101 ( 14.474 -2.797 -3.449) 15.140 9.248 ( 10.157 10.047 -4.432) 14.958 9.587 ( -3.806 0.354 -6.711) 7.723 9.640 ( -8.451 -0.611 8.653) 12.110 9.801 ( 4.401 0.345 2.426) 5.037 9.948 ( -1.957 5.438 -2.351) 6.240 10.078 ( -4.429 0.576 -2.699) 5.219 10.176 ( -3.857 1.778 4.190) 5.966 10.244 ( -0.243 2.026 0.369) 2.073 10.317 ( 8.240 -2.756 6.269) 10.714 10.686 ( -2.840 -0.242 -1.155) 3.075 10.768 ( 4.921 -5.982 -8.180) 11.266 10.927 ( 6.620 -5.163 -1.004) 8.455 11.022 ( -2.491 -5.625 -2.211) 6.537 11.176 ( 3.323 -5.774 4.615) 8.104 11.321 ( -0.940 0.067 1.656) 1.905 11.516 ( -0.634 -6.081 -8.738) 10.664 11.586 ( -7.719 -5.139 -5.581) 10.823 11.660 ( 6.971 -3.201 -4.366) 8.826 11.781 ( -2.278 4.475 -1.508) 5.243 11.946 ( -0.119 1.996 0.671) 2.109 12.052 ( -0.752 4.782 -2.923) 5.655 12.096 ( -7.178 -1.142 4.565) 8.583 12.406 ( -0.078 15.677 0.908) 15.704 12.576 ( 0.466 9.837 -2.732) 10.220 12.963 ( 5.117 -2.670 4.083) 7.070 13.137 ( 4.650 -0.526 -1.681) 4.972 13.179 ( 7.959 -2.846 -2.025) 8.692 13.313 ( 8.667 -0.159 -4.796) 9.907 13.510 ( 3.767 0.030 5.624) 6.769 13.743 ( 9.389 9.065 1.449) 13.131 13.830 ( 0.163 -5.279 3.290) 6.222 13.924 ( 5.948 1.094 1.427) 6.214 14.187 ( 2.053 -1.597 0.343) 2.624 14.214 ( 0.509 -0.902 0.687) 1.243 14.389 ( 11.887 4.798 -0.139) 12.820 14.628 ( -5.600 3.892 -3.432) 7.634 15.045 ( -5.664 -3.948 -3.490) 7.736 15.110 ( -5.734 -2.831 4.610) 7.884 15.270 ( -19.127 -1.619 -4.101) 19.629 15.349 ( -0.532 2.009 -0.143) 2.083 15.526 ( -1.426 -3.340 -2.302) 4.300 15.606 ( -2.948 -4.680 10.372) 11.755 16.063 ( -7.198 -1.502 -8.283) 11.076 16.274 ( -0.704 -10.204 3.009) 10.661 16.446 ( -4.272 -6.053 -9.993) 12.439 16.585 ( -6.231 1.805 -5.069) 8.233 16.720 ( 2.476 -0.370 2.160) 3.306 16.891 ( 10.402 -0.084 3.343) 10.927 17.162 ( -12.044 13.059 1.436) 17.823 17.614 ( -27.018 -1.639 6.097) 27.746 20.008 ( -2.257 1.397 2.388) 3.571 20.090 ( -0.371 1.100 0.430) 1.238 20.274 ( -3.227 -4.649 4.181) 7.036 20.383 ( -5.377 -3.375 0.605) 6.377 20.542 ( -0.905 1.897 2.351) 3.154 20.634 ( -2.611 0.517 1.933) 3.290 20.696 ( -1.110 2.786 6.188) 6.877 20.838 ( 3.850 2.448 4.609) 6.486 20.882 ( 0.766 1.846 -0.894) 2.189 21.113 ( -4.262 4.988 4.351) 7.872 21.260 ( -1.119 -1.691 0.568) 2.106 21.352 ( 2.799 -0.141 -0.370) 2.827 21.489 ( -2.514 -2.273 -2.265) 4.077 21.591 ( -0.168 -3.841 -5.557) 6.758 21.643 ( -0.450 0.024 -0.040) 0.452 21.740 ( -1.111 3.035 -7.672) 8.325 21.891 ( 0.755 -0.576 1.091) 1.446 21.908 ( 3.072 -0.290 -6.109) 6.844 22.008 ( -5.124 1.086 -2.134) 5.656 22.096 ( 0.774 4.598 -2.048) 5.092 22.149 ( -5.708 2.508 0.178) 6.237 22.335 ( -0.171 -2.649 -4.411) 5.148 22.419 ( -0.483 -2.595 2.540) 3.664 22.578 ( -3.075 0.432 2.755) 4.151 23.351 ( 2.291 -1.497 0.296) 2.752 23.424 ( 3.811 -0.826 2.343) 4.549 23.617 ( 1.845 6.181 5.672) 8.590 23.901 ( 2.207 0.137 -1.548) 2.700 24.534 ( 3.378 -0.451 3.205) 4.678 24.623 ( 2.576 -3.087 3.978) 5.656 24.679 ( 4.536 -0.723 1.019) 4.705 24.799 ( 4.124 -3.564 -0.672) 5.492 24.938 ( 6.231 3.665 -3.792) 8.163 25.083 ( 0.732 1.131 2.792) 3.100 25.107 ( -0.236 0.530 1.204) 1.337 25.145 ( -3.126 0.530 1.331) 3.439 25.451 ( -1.184 2.968 5.742) 6.571 25.558 ( 4.529 2.436 -5.180) 7.299 25.704 ( -0.483 3.689 0.795) 3.805 25.822 ( 1.776 2.295 -2.918) 4.116 26.180 ( 2.370 -1.313 0.391) 2.738 26.206 ( 2.870 1.420 -1.422) 3.503 26.250 ( 3.599 2.348 -2.508) 4.975 26.312 ( 4.511 -3.822 -0.900) 5.981 26.416 ( -1.491 2.290 -4.542) 5.301 26.475 ( 3.431 1.699 -4.246) 5.717 26.571 ( -2.507 -1.043 -2.305) 3.562 26.722 ( -8.014 -0.357 1.901) 8.244 26.887 ( 3.572 -2.429 2.433) 4.958 27.010 ( 0.270 -2.706 -1.321) 3.024 27.077 ( -2.481 -6.470 -0.229) 6.933 27.134 ( -2.706 -3.902 -0.144) 4.750 27.710 ( -0.752 -1.168 17.438) 17.494 27.733 ( 2.354 -1.404 11.801) 12.115 28.076 ( 9.279 0.448 -9.298) 13.144 28.132 ( 10.065 -1.162 -10.940) 14.911 29.140 ( -9.062 1.306 10.225) 13.725 29.214 ( -5.533 -1.171 7.537) 9.423 29.349 ( 4.795 4.644 -9.749) 11.815 29.666 ( -1.930 -3.458 -13.608) 14.172 ======================= Grid point 120 (64/78) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -6.789 6.583 11.848) 15.159 1.398 ( 1.434 8.551 -9.543) 12.894 1.850 ( -2.439 -6.235 11.573) 13.370 2.032 ( 5.284 -3.707 -6.882) 9.435 2.355 ( 1.733 -7.023 3.491) 8.032 2.434 ( -2.400 -8.728 -2.262) 9.331 2.547 ( -7.752 -4.078 -3.901) 9.589 2.568 ( 10.976 -6.004 -4.313) 13.233 2.862 ( -3.937 7.244 1.921) 8.465 2.893 ( 4.675 6.897 -0.695) 8.361 3.135 ( -2.228 0.987 1.476) 2.849 3.153 ( 1.139 1.339 -0.455) 1.815 3.367 ( 1.147 3.879 2.053) 4.536 3.428 ( -0.528 4.944 -3.670) 6.180 3.488 ( -1.153 4.869 4.664) 6.840 3.590 ( -1.275 3.541 -4.877) 6.161 3.684 ( 0.449 -1.718 3.134) 3.602 3.741 ( 0.275 -0.344 -2.173) 2.218 3.969 ( -2.828 -0.923 3.617) 4.683 3.986 ( -0.672 0.439 2.149) 2.294 4.194 ( -1.853 -0.500 3.653) 4.127 4.289 ( 4.539 -1.164 -4.251) 6.326 4.445 ( -2.341 -1.152 0.631) 2.684 4.519 ( 1.598 -3.714 -5.100) 6.508 5.170 ( -2.552 2.102 5.856) 6.725 5.227 ( -0.894 5.357 1.245) 5.572 5.552 ( 13.139 -4.438 7.655) 15.841 5.728 ( -2.440 -4.031 -7.165) 8.575 6.049 ( 7.986 7.660 6.305) 12.736 6.161 ( -12.800 4.808 -3.316) 14.069 6.433 ( -15.713 3.065 9.169) 18.449 6.597 ( 11.380 0.443 -5.236) 12.534 6.918 ( -21.445 1.452 18.716) 28.500 7.067 ( 22.194 0.331 10.655) 24.621 7.245 ( 7.012 -4.431 13.784) 16.088 7.369 ( -11.173 -3.346 11.582) 16.437 7.615 ( 2.586 -0.078 -4.581) 5.261 7.668 ( 1.852 -4.684 -9.935) 11.139 7.851 ( 2.861 -7.709 0.283) 8.228 7.911 ( -7.967 5.168 15.091) 17.830 8.095 ( -0.237 -8.395 -9.016) 12.322 8.347 ( 2.223 8.493 -14.693) 17.116 8.413 ( -5.695 -6.748 -1.956) 9.044 8.668 ( 10.980 3.378 -21.351) 24.245 9.075 ( 20.454 2.789 -1.767) 20.718 9.110 ( -20.991 2.584 -5.252) 21.792 9.310 ( 5.817 -0.529 6.185) 8.507 9.447 ( -6.463 2.256 -6.694) 9.574 9.608 ( 11.616 4.525 0.298) 12.470 9.683 ( -12.666 4.597 -6.997) 15.183 9.957 ( -1.884 2.793 9.092) 9.696 10.075 ( 5.498 4.032 -0.941) 6.882 10.148 ( -10.204 -5.140 8.789) 14.415 10.331 ( 8.099 -9.613 -7.890) 14.841 10.525 ( 0.116 -4.853 4.559) 6.659 10.674 ( 1.116 -9.273 -4.426) 10.335 10.700 ( 1.853 4.182 7.872) 9.105 10.898 ( -3.971 -3.085 -4.792) 6.946 11.065 ( 5.936 -5.818 -0.479) 8.326 11.209 ( -3.099 -6.424 -9.831) 12.146 11.275 ( -2.491 -2.977 0.669) 3.939 11.329 ( -1.480 -2.543 -1.978) 3.545 11.587 ( 1.759 2.466 0.892) 3.158 11.644 ( -2.775 3.196 -4.717) 6.338 11.828 ( 2.767 -2.492 6.864) 7.809 11.947 ( 2.225 7.193 -4.849) 8.956 11.997 ( -5.726 -3.451 2.454) 7.122 12.059 ( 4.262 0.424 -3.811) 5.733 12.444 ( -1.043 15.090 4.762) 15.858 12.535 ( -1.134 12.608 -4.122) 13.313 13.024 ( -0.889 0.534 5.980) 6.069 13.160 ( 1.315 -0.338 -6.286) 6.431 13.254 ( -1.609 -0.020 4.667) 4.937 13.375 ( 4.082 -2.554 -7.414) 8.841 13.659 ( 0.054 -1.594 7.889) 8.049 13.769 ( 0.538 0.188 -3.251) 3.300 13.955 ( 3.540 -0.289 4.104) 5.427 14.009 ( 0.662 -0.100 0.118) 0.680 14.116 ( -4.796 -1.758 -0.070) 5.109 14.126 ( -4.727 -0.423 -0.530) 4.775 14.594 ( -4.788 4.104 0.143) 6.307 14.657 ( 10.721 3.819 -4.709) 12.316 14.885 ( -7.352 -1.228 4.122) 8.518 14.943 ( 3.438 0.893 -1.636) 3.911 15.239 ( -8.335 0.585 1.118) 8.430 15.273 ( 7.173 -3.321 1.522) 8.049 15.455 ( 3.987 0.640 2.660) 4.836 15.652 ( -2.874 -6.896 -11.892) 14.044 16.018 ( 4.793 -9.740 12.112) 16.265 16.245 ( -7.411 -14.045 -0.269) 15.882 16.356 ( -4.282 2.683 -6.199) 7.998 16.452 ( 7.401 -1.619 -7.823) 10.891 16.871 ( 8.237 6.476 6.180) 12.165 16.974 ( -7.848 9.116 -3.764) 12.604 17.169 ( 12.325 -1.817 6.799) 14.193 17.257 ( -11.947 0.576 -1.997) 12.126 20.033 ( 1.185 1.497 3.359) 3.863 20.076 ( -1.171 1.413 -0.897) 2.043 20.278 ( -0.422 -4.249 4.021) 5.865 20.331 ( -0.478 -3.805 -0.660) 3.892 20.554 ( -0.853 2.746 3.481) 4.515 20.610 ( -0.244 2.478 -1.188) 2.759 20.753 ( -0.031 2.151 7.392) 7.699 20.875 ( 1.412 2.346 -4.254) 5.059 20.992 ( 4.474 1.230 9.194) 10.299 21.102 ( -1.111 2.254 0.522) 2.567 21.262 ( 0.520 -2.089 2.270) 3.128 21.358 ( -2.660 -0.763 -6.169) 6.761 21.405 ( -2.744 -2.527 2.930) 4.743 21.509 ( 0.073 -3.554 -7.228) 8.055 21.595 ( -5.164 2.473 2.028) 6.074 21.713 ( 6.274 2.509 -8.826) 11.116 21.847 ( -6.991 0.691 1.409) 7.165 21.926 ( 6.064 1.550 -6.310) 8.887 21.978 ( 1.917 2.158 1.631) 3.315 22.023 ( -3.722 3.619 -2.363) 5.704 22.158 ( 1.952 -1.433 4.322) 4.954 22.255 ( -1.407 -4.927 -4.848) 7.054 22.507 ( 3.992 -1.079 2.360) 4.762 22.545 ( -1.196 -0.962 -0.867) 1.763 23.403 ( 0.769 1.967 2.144) 3.009 23.442 ( -0.103 1.767 -1.153) 2.113 23.744 ( 3.114 1.779 8.207) 8.957 23.871 ( -2.281 -0.053 -4.472) 5.020 24.617 ( 1.300 -0.325 5.031) 5.206 24.659 ( -2.638 -2.715 3.182) 4.945 24.730 ( 0.753 0.030 1.168) 1.390 24.797 ( -0.842 -0.949 -4.419) 4.598 25.025 ( -6.238 1.359 -0.162) 6.386 25.038 ( 5.980 -0.500 -0.340) 6.011 25.128 ( -1.158 0.531 2.574) 2.872 25.152 ( 1.751 -0.549 0.422) 1.883 25.449 ( -4.397 4.912 5.347) 8.489 25.575 ( 3.924 3.923 -5.875) 8.081 25.720 ( 0.169 2.117 2.742) 3.468 25.811 ( 1.544 1.095 -5.241) 5.572 26.208 ( -0.209 -0.478 1.444) 1.535 26.224 ( -0.588 0.400 -0.586) 0.922 26.286 ( 1.885 2.233 -0.378) 2.947 26.334 ( -2.460 1.798 -4.582) 5.503 26.378 ( 1.709 -1.287 1.008) 2.364 26.448 ( -1.040 1.119 -5.119) 5.342 26.590 ( 4.640 -0.454 0.559) 4.695 26.592 ( -5.112 -0.177 0.293) 5.123 26.950 ( -0.905 -3.263 1.683) 3.781 26.983 ( 1.020 -4.859 -1.872) 5.306 27.071 ( -0.584 -4.323 1.484) 4.608 27.089 ( 0.340 -3.060 -0.979) 3.231 27.830 ( -2.727 -0.682 14.621) 14.889 27.867 ( -2.982 -1.642 13.927) 14.337 28.080 ( 3.556 0.497 -11.969) 12.496 28.167 ( 7.463 -1.745 -14.294) 16.219 29.088 ( -9.452 1.908 11.714) 15.172 29.222 ( -4.883 -1.468 13.038) 13.999 29.345 ( 6.215 3.033 -10.584) 12.643 29.531 ( 2.554 -1.604 -14.416) 14.728 ======================= Grid point 121 (65/78) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.379 5.839 15.559) 16.623 1.372 ( 4.547 7.468 -6.860) 11.113 1.848 ( -5.264 -5.301 4.779) 8.868 1.976 ( -3.342 -4.911 -7.968) 9.939 2.288 ( -11.949 -7.434 0.220) 14.075 2.346 ( -4.905 -5.441 -1.879) 7.563 2.453 ( -2.582 -1.212 -1.691) 3.316 2.699 ( 6.736 -4.697 -2.413) 8.559 2.765 ( -6.346 7.372 -0.128) 9.728 2.928 ( -0.464 6.666 -1.607) 6.872 3.078 ( -3.378 0.606 2.622) 4.319 3.179 ( -0.174 -0.609 -0.406) 0.753 3.331 ( -3.822 3.661 -0.275) 5.300 3.406 ( -2.086 2.111 0.191) 2.974 3.499 ( -2.334 4.829 -1.232) 5.504 3.543 ( -0.271 4.215 4.417) 6.111 3.726 ( -0.274 -0.030 -2.312) 2.328 3.756 ( 4.228 -0.362 1.233) 4.418 3.907 ( -7.847 4.087 2.764) 9.269 3.980 ( -3.362 1.249 3.734) 5.177 4.249 ( 3.794 -3.364 1.264) 5.226 4.318 ( 3.920 -0.628 -6.314) 7.458 4.394 ( -5.115 -2.383 3.522) 6.652 4.459 ( -3.398 -0.940 -2.435) 4.284 5.037 ( -19.087 0.958 1.215) 19.150 5.154 ( -6.032 6.047 0.001) 8.541 5.494 ( -6.248 -5.323 -12.759) 15.171 5.809 ( 7.121 -5.869 0.479) 9.240 6.005 ( -2.860 5.455 -1.691) 6.387 6.244 ( -15.323 3.828 11.098) 19.304 6.372 ( 14.318 2.065 8.227) 16.642 6.491 ( -22.674 -0.516 12.128) 25.718 6.887 ( 11.487 7.572 -7.944) 15.887 7.181 ( -16.743 -0.204 -6.879) 18.102 7.288 ( 0.069 -2.524 -0.544) 2.583 7.427 ( 8.245 -2.581 -8.925) 12.422 7.621 ( 3.932 -5.484 20.424) 21.510 7.754 ( -9.326 -3.580 2.705) 10.350 7.835 ( 8.166 -2.617 -15.570) 17.775 7.884 ( -1.001 -7.680 -3.188) 8.376 8.160 ( 5.377 4.541 5.007) 8.637 8.207 ( -7.204 5.349 15.372) 17.799 8.409 ( 2.600 -0.241 -7.501) 7.942 8.646 ( -19.398 5.015 -2.700) 20.217 8.769 ( 15.543 -3.664 -12.941) 20.554 9.062 ( -16.521 -2.592 1.709) 16.810 9.201 ( -13.454 12.107 -1.731) 18.182 9.546 ( 6.733 -2.985 -1.467) 7.510 9.667 ( 11.584 -3.626 5.984) 13.533 9.831 ( 10.320 5.658 0.190) 11.771 9.928 ( -8.239 -1.107 4.131) 9.283 9.972 ( -14.615 -5.791 1.314) 15.775 10.126 ( 4.175 1.075 -3.000) 5.252 10.318 ( 0.420 -3.237 -2.842) 4.328 10.481 ( 1.801 -8.217 -1.443) 8.535 10.625 ( -3.877 -4.367 -3.537) 6.827 10.823 ( -3.070 -0.373 -4.864) 5.764 10.928 ( 5.053 -3.228 9.914) 11.586 10.959 ( -4.571 -3.482 -3.608) 6.785 11.185 ( 1.171 -1.890 1.868) 2.903 11.271 ( -0.563 -4.416 1.405) 4.668 11.375 ( 4.633 -3.664 1.702) 6.147 11.554 ( -3.297 1.786 -0.136) 3.752 11.617 ( -0.078 2.753 1.215) 3.010 11.809 ( -2.828 4.179 -3.746) 6.285 11.949 ( -1.022 0.702 2.820) 3.081 12.039 ( 5.731 4.679 -5.034) 8.949 12.119 ( 6.312 -0.965 2.128) 6.730 12.399 ( -6.313 11.014 3.188) 13.089 12.511 ( -0.836 10.287 0.658) 10.342 13.055 ( -4.304 -3.931 4.584) 7.415 13.089 ( -1.284 -0.113 -6.690) 6.813 13.191 ( -9.656 -1.926 2.331) 10.118 13.282 ( -5.059 0.930 -5.555) 7.571 13.575 ( -9.384 -1.395 -1.368) 9.586 13.739 ( -16.559 5.178 0.899) 17.373 13.874 ( 6.445 0.506 1.969) 6.758 13.919 ( -2.867 0.476 2.727) 3.986 14.161 ( -1.347 0.681 2.549) 2.963 14.228 ( 3.473 -0.835 -1.616) 3.921 14.398 ( -7.539 4.071 0.142) 8.569 14.629 ( -1.823 0.967 -7.383) 7.666 14.930 ( -0.567 -5.520 8.124) 9.838 15.129 ( 3.812 5.231 2.560) 6.960 15.218 ( 17.207 3.448 0.773) 17.566 15.433 ( 1.769 -1.840 -6.645) 7.119 15.556 ( 9.247 -6.521 -6.747) 13.174 15.665 ( 11.830 -5.024 7.517) 14.889 16.085 ( -3.256 -8.335 -5.970) 10.757 16.202 ( 0.413 2.486 1.585) 2.977 16.274 ( 2.770 -18.464 7.564) 20.144 16.580 ( 9.677 -1.374 -3.389) 10.345 16.781 ( -6.970 3.533 -3.252) 8.463 16.963 ( -11.436 1.563 -3.380) 12.027 17.148 ( 15.111 14.066 2.918) 20.849 17.649 ( 30.000 -2.295 2.655) 30.205 20.050 ( 0.404 1.497 -1.664) 2.274 20.081 ( 0.900 1.817 1.485) 2.513 20.334 ( 2.172 -4.537 1.416) 5.226 20.353 ( 4.322 -4.947 -0.251) 6.573 20.592 ( 0.965 3.800 3.699) 5.390 20.606 ( 1.451 2.847 -0.965) 3.338 20.804 ( -0.513 1.600 0.998) 1.954 20.855 ( 2.070 3.402 -3.509) 5.308 20.996 ( -5.521 2.204 -8.780) 10.603 21.141 ( 4.182 -0.406 3.593) 5.528 21.275 ( -0.459 -1.599 -0.682) 1.798 21.330 ( 0.339 0.590 4.873) 4.920 21.434 ( 0.479 -2.518 5.617) 6.174 21.450 ( -0.678 -4.715 -0.649) 4.807 21.571 ( 0.280 2.718 3.145) 4.166 21.743 ( 2.057 1.374 -2.328) 3.397 21.777 ( -0.043 4.483 -0.308) 4.494 21.966 ( -0.553 1.555 -1.404) 2.166 21.985 ( 4.369 0.222 -0.677) 4.427 22.052 ( 3.854 3.639 1.609) 5.539 22.186 ( 0.631 -0.945 -1.570) 1.937 22.252 ( 2.002 -1.051 2.026) 3.036 22.498 ( 1.376 -4.650 -4.744) 6.784 22.610 ( 4.877 -1.587 -0.628) 5.167 23.362 ( -4.083 1.031 0.061) 4.212 23.460 ( 0.694 0.973 -1.490) 1.910 23.746 ( -5.180 2.400 -6.599) 8.726 23.833 ( -1.123 0.993 5.454) 5.656 24.573 ( -10.405 -1.579 1.740) 10.667 24.640 ( -3.238 -1.272 2.097) 4.062 24.702 ( -3.749 -0.023 -3.256) 4.966 24.779 ( 0.794 -0.148 2.796) 2.910 24.909 ( -4.392 1.371 -3.664) 5.881 25.044 ( -5.875 -1.102 3.402) 6.878 25.153 ( 2.226 0.831 -0.218) 2.385 25.188 ( 1.902 -1.707 -0.736) 2.660 25.426 ( -5.084 5.429 6.270) 9.729 25.582 ( 3.476 4.090 -5.983) 8.038 25.750 ( -0.193 0.874 3.028) 3.158 25.780 ( 1.430 1.740 -5.564) 6.003 26.172 ( -5.081 -0.295 0.626) 5.128 26.199 ( -2.614 0.305 1.848) 3.216 26.217 ( -4.829 1.902 -1.669) 5.452 26.312 ( -1.937 -2.990 -1.317) 3.799 26.365 ( -0.122 4.125 0.787) 4.201 26.405 ( -3.800 0.693 1.719) 4.228 26.547 ( 2.575 -0.060 -0.334) 2.598 26.745 ( 9.519 -2.810 0.368) 9.932 26.906 ( -3.351 -4.083 -0.064) 5.283 27.011 ( 0.926 -0.893 -1.086) 1.684 27.045 ( -0.175 -5.255 1.401) 5.441 27.154 ( 4.513 -4.017 -0.275) 6.048 27.879 ( -9.821 -0.993 13.771) 16.943 27.888 ( -6.345 -1.097 9.781) 11.710 27.984 ( 0.583 0.942 -13.995) 14.039 28.091 ( 2.625 -2.236 -19.200) 19.507 29.042 ( -10.546 2.663 13.894) 17.645 29.291 ( -1.877 -4.106 11.500) 12.354 29.369 ( 6.219 2.526 -5.416) 8.624 29.500 ( 8.291 0.719 -9.629) 12.727 ======================= Grid point 122 (66/78) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.086 4.674 -5.622) 7.312 1.411 ( 1.631 2.902 10.111) 10.645 1.802 ( -6.663 -3.274 -7.775) 10.750 1.879 ( 2.986 1.003 8.599) 9.158 2.090 ( -10.981 -2.234 -0.132) 11.206 2.177 ( -17.565 5.676 8.003) 20.120 2.345 ( -4.511 -2.739 -1.986) 5.638 2.652 ( -5.046 3.113 -4.297) 7.322 2.731 ( -2.439 0.501 -0.470) 2.534 2.854 ( -5.144 6.149 -1.860) 8.230 3.066 ( -2.698 -1.655 -0.782) 3.260 3.157 ( -1.936 2.866 3.233) 4.734 3.262 ( -4.233 -2.211 -1.444) 4.989 3.335 ( -4.843 -1.321 -0.104) 5.021 3.460 ( -0.920 4.076 -2.085) 4.669 3.516 ( -14.042 2.254 5.511) 15.252 3.669 ( -6.773 2.164 0.512) 7.128 3.764 ( -6.838 5.427 5.853) 10.510 3.832 ( 3.248 2.027 -1.175) 4.005 3.980 ( 0.416 6.305 1.996) 6.626 4.234 ( -2.938 1.518 -2.761) 4.308 4.329 ( -6.032 -2.237 -2.923) 7.067 4.357 ( 0.723 -6.140 3.078) 6.907 4.415 ( 1.470 -2.083 -1.149) 2.797 4.662 ( -21.098 3.919 3.454) 21.735 5.038 ( -5.358 0.542 -7.147) 8.949 5.232 ( -8.267 1.529 -11.982) 14.637 5.854 ( -4.078 -4.142 -4.565) 7.391 5.908 ( -3.553 0.741 0.192) 3.635 6.128 ( -13.515 5.698 6.212) 15.928 6.282 ( -11.314 -2.311 27.859) 30.157 6.689 ( 7.718 -3.369 0.529) 8.438 6.916 ( 2.524 6.156 -5.189) 8.437 7.049 ( 8.990 8.630 -8.001) 14.809 7.242 ( -6.020 -1.443 0.421) 6.205 7.421 ( -7.908 -9.733 -5.579) 13.725 7.572 ( -4.856 -5.255 -3.792) 8.098 7.627 ( -12.735 -5.776 6.348) 15.357 7.681 ( -0.863 -0.614 -10.291) 10.345 7.929 ( -15.458 -7.180 -1.422) 17.103 8.109 ( -4.669 -3.301 12.850) 14.065 8.130 ( -7.523 -0.379 -8.825) 11.602 8.456 ( 6.767 10.627 5.990) 13.950 8.550 ( -4.935 5.530 -1.071) 7.489 8.777 ( -0.155 0.771 -11.613) 11.639 8.842 ( -9.127 -0.865 -4.466) 10.197 9.062 ( 3.809 7.018 4.526) 9.179 9.579 ( -4.607 -5.736 -5.847) 9.398 9.662 ( -7.813 -0.877 3.643) 8.665 9.770 ( -1.590 -4.448 -4.725) 6.681 9.950 ( 2.417 -2.013 8.503) 9.066 10.076 ( 8.264 -4.225 5.124) 10.602 10.143 ( 2.303 -8.614 -0.728) 8.946 10.369 ( 3.915 3.183 -1.204) 5.187 10.488 ( -0.730 -0.210 -12.659) 12.682 10.584 ( 6.608 5.663 2.653) 9.098 10.634 ( -14.429 -7.042 3.679) 16.472 10.881 ( -1.320 -2.230 -5.768) 6.323 11.046 ( -0.331 -1.440 2.461) 2.870 11.152 ( -3.427 -6.280 -3.675) 8.043 11.294 ( -0.527 -2.040 5.508) 5.897 11.434 ( -1.485 -5.889 4.205) 7.387 11.580 ( 1.286 3.597 -1.289) 4.032 11.665 ( 8.932 -2.686 8.088) 12.345 11.790 ( 0.653 7.856 1.699) 8.064 11.955 ( 0.614 6.358 -0.543) 6.410 12.065 ( 1.053 4.487 4.902) 6.728 12.268 ( 8.422 3.483 -2.493) 9.448 12.344 ( -4.136 7.729 2.579) 9.138 12.491 ( -5.144 0.811 4.102) 6.629 12.908 ( -7.950 -3.405 -3.138) 9.200 13.017 ( -6.385 -4.902 -4.039) 9.006 13.044 ( -3.284 -3.257 -0.748) 4.685 13.142 ( -9.321 -0.586 1.909) 9.533 13.436 ( -7.906 0.775 2.299) 8.270 13.590 ( -3.934 11.026 2.338) 11.938 13.821 ( -8.218 6.326 -1.953) 10.553 13.917 ( 0.608 -5.129 -5.517) 7.558 14.126 ( -1.905 0.664 -0.262) 2.035 14.169 ( -5.103 2.073 -2.298) 5.968 14.379 ( 4.448 5.687 -7.493) 10.405 14.702 ( 9.465 -0.552 12.003) 15.296 14.951 ( -2.305 -4.976 0.815) 5.544 15.239 ( 2.798 5.139 3.298) 6.717 15.423 ( 6.408 -2.264 -4.350) 8.069 15.478 ( 4.726 0.335 2.226) 5.235 15.600 ( 8.144 -3.228 -5.024) 10.099 15.842 ( 8.806 -4.579 -6.562) 11.899 16.034 ( -3.760 -1.150 4.009) 5.615 16.350 ( 10.370 -12.834 2.976) 16.766 16.454 ( 9.573 -11.891 10.376) 18.458 16.658 ( -0.865 2.453 2.419) 3.552 16.710 ( -0.309 -4.971 -4.580) 6.766 16.773 ( -2.398 1.299 -0.305) 2.744 17.458 ( 19.658 20.061 -2.364) 28.186 18.188 ( 32.076 -3.759 -3.676) 32.504 20.066 ( 1.575 1.094 0.101) 1.920 20.104 ( 2.823 2.330 -0.570) 3.704 20.360 ( 1.965 -5.385 -1.800) 6.008 20.447 ( 3.462 -5.530 1.535) 6.702 20.594 ( 0.354 3.779 -2.460) 4.523 20.671 ( 0.929 1.792 2.979) 3.599 20.790 ( 3.231 3.789 -6.245) 7.987 20.805 ( -3.062 2.641 -3.605) 5.417 20.888 ( 0.866 3.570 -0.810) 3.762 21.225 ( 3.508 -4.952 -0.752) 6.115 21.270 ( -5.401 2.470 1.235) 6.066 21.310 ( 3.591 2.664 0.506) 4.500 21.481 ( 0.913 -3.393 1.130) 3.691 21.553 ( 3.242 -3.553 6.055) 7.733 21.649 ( 5.599 1.111 1.317) 5.858 21.733 ( -1.852 1.663 2.661) 3.644 21.829 ( 5.020 3.955 -0.707) 6.430 21.963 ( 0.940 2.987 -0.230) 3.140 22.061 ( 2.272 4.055 2.818) 5.435 22.098 ( 2.177 0.215 -1.547) 2.679 22.228 ( 2.459 -0.294 -0.418) 2.512 22.299 ( 4.110 4.615 0.151) 6.181 22.537 ( 8.509 -6.810 -2.136) 11.106 22.662 ( 3.543 -2.044 -2.398) 4.742 23.303 ( -3.652 -2.460 0.678) 4.455 23.370 ( -6.646 -2.959 -5.994) 9.426 23.628 ( -2.057 6.985 -3.220) 7.961 23.804 ( -6.886 2.235 2.670) 7.717 24.342 ( -19.740 -0.882 4.338) 20.230 24.559 ( -6.578 -2.088 -1.120) 6.992 24.610 ( -2.683 1.191 -2.858) 4.097 24.791 ( 0.139 -3.298 -3.403) 4.741 24.826 ( -3.946 1.300 0.890) 4.249 24.974 ( -6.576 -0.387 4.720) 8.104 25.147 ( -2.800 0.343 0.290) 2.836 25.194 ( 0.495 -0.264 -2.622) 2.682 25.386 ( -6.589 4.205 5.457) 9.533 25.562 ( 1.633 2.523 -7.758) 8.320 25.761 ( 2.438 2.296 -3.379) 4.758 25.776 ( -0.706 1.073 2.444) 2.761 26.097 ( -4.600 -0.253 2.797) 5.389 26.148 ( -3.529 1.160 0.100) 3.716 26.158 ( -4.003 1.045 2.355) 4.760 26.243 ( -2.413 -3.554 -0.256) 4.303 26.385 ( -0.697 0.692 3.451) 3.588 26.407 ( 1.085 2.908 3.224) 4.475 26.597 ( 1.754 -2.719 0.237) 3.244 26.840 ( -3.095 -2.117 -0.325) 3.764 26.885 ( 7.580 -2.099 -3.596) 8.648 26.992 ( -1.675 -0.197 -0.430) 1.740 27.089 ( 1.244 -5.714 3.237) 6.684 27.200 ( 2.105 -4.802 -2.813) 5.950 27.768 ( -12.035 -0.997 3.708) 12.633 27.806 ( -8.653 -1.051 -2.791) 9.153 27.884 ( -4.538 0.303 0.490) 4.575 27.912 ( 0.381 -0.920 -18.543) 18.570 29.000 ( -11.002 3.822 15.739) 19.580 29.358 ( 2.997 -5.425 0.752) 6.243 29.455 ( 7.615 1.010 -1.257) 7.784 29.638 ( 10.862 0.923 2.967) 11.298 ======================= Grid point 123 (67/78) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.064 2.925 -5.743) 6.445 1.490 ( -7.642 3.537 16.153) 18.216 1.610 ( -7.874 5.091 -6.067) 11.168 1.876 ( -12.696 -2.369 4.210) 13.584 2.068 ( 5.553 3.287 9.762) 11.702 2.084 ( -5.041 7.640 11.006) 14.315 2.292 ( -3.429 5.082 3.992) 7.316 2.509 ( -9.248 -0.698 -0.602) 9.294 2.591 ( -10.452 2.997 -2.437) 11.143 2.745 ( -6.336 4.972 -3.222) 8.674 2.940 ( -12.007 10.560 3.878) 16.453 3.070 ( -12.283 -5.435 4.625) 14.205 3.165 ( -18.905 2.166 10.741) 21.850 3.196 ( -5.153 2.610 -4.032) 7.045 3.322 ( -1.629 -0.979 -0.556) 1.980 3.448 ( 0.348 4.697 -3.177) 5.681 3.592 ( -1.948 -1.818 3.011) 4.021 3.750 ( -2.487 0.139 1.458) 2.887 3.867 ( 1.183 3.304 1.100) 3.678 3.989 ( -1.525 5.452 -2.046) 6.020 4.045 ( -16.827 0.282 -3.814) 17.256 4.206 ( -2.222 1.262 3.864) 4.632 4.302 ( -5.188 -0.367 -0.622) 5.238 4.473 ( 3.264 -2.711 2.294) 4.824 4.575 ( 0.341 0.632 6.997) 7.034 4.811 ( -7.988 -2.906 -10.953) 13.864 5.048 ( -3.683 7.159 -8.378) 11.619 5.705 ( -7.514 -6.772 -2.314) 10.377 5.883 ( -1.634 1.605 3.637) 4.298 6.029 ( -8.058 3.890 13.648) 16.319 6.372 ( -14.431 -4.067 24.380) 28.622 6.717 ( -3.912 3.939 6.140) 8.278 6.866 ( -11.275 2.703 -16.435) 20.113 6.996 ( -18.190 -6.139 1.078) 19.229 7.063 ( -12.699 -6.085 2.130) 14.241 7.188 ( 5.928 0.583 -5.478) 8.092 7.339 ( -15.266 1.391 -3.946) 15.829 7.453 ( -1.417 0.923 -15.066) 15.161 7.688 ( 1.524 -2.851 5.115) 6.051 7.813 ( -0.856 -3.228 2.203) 4.001 7.890 ( 0.650 -1.670 -12.753) 12.878 8.148 ( -6.166 -10.621 10.085) 15.892 8.437 ( -6.068 7.652 8.598) 13.012 8.569 ( -0.792 0.465 -1.950) 2.156 8.708 ( 10.207 4.898 -19.957) 22.944 8.768 ( 6.181 2.165 -3.285) 7.327 9.150 ( 2.851 2.253 0.122) 3.636 9.420 ( -6.032 1.266 -12.589) 14.016 9.592 ( -4.068 0.409 8.117) 9.089 9.754 ( 0.428 -3.029 -0.405) 3.086 9.952 ( -5.852 -2.701 -7.333) 9.763 10.117 ( -3.987 -13.744 2.750) 14.573 10.262 ( -1.335 1.172 -7.286) 7.499 10.344 ( 3.322 -3.973 3.814) 6.432 10.408 ( -0.746 2.212 2.628) 3.515 10.469 ( -5.733 -10.872 2.784) 12.602 10.739 ( 8.304 2.816 -5.065) 10.126 10.768 ( -4.004 -2.415 -4.770) 6.679 11.010 ( -1.048 -3.555 -0.926) 3.820 11.117 ( 3.899 -6.618 -1.510) 7.828 11.338 ( -1.069 -0.555 2.687) 2.944 11.407 ( -3.027 3.542 2.920) 5.499 11.675 ( 6.190 2.510 0.535) 6.701 11.846 ( 4.653 5.710 6.499) 9.823 11.921 ( 1.257 0.557 8.306) 8.419 11.965 ( 5.465 2.088 -0.434) 5.867 12.156 ( 3.521 1.577 -0.695) 3.920 12.272 ( -2.229 1.548 -11.119) 11.446 12.309 ( -5.201 9.073 11.710) 15.700 12.448 ( -3.841 -2.099 10.472) 11.350 12.801 ( -10.763 -4.629 4.149) 12.430 12.807 ( -5.418 -9.534 -8.639) 13.960 12.980 ( -4.487 1.821 -0.796) 4.907 13.134 ( 5.794 -0.336 2.636) 6.374 13.320 ( -6.020 8.223 1.453) 10.294 13.591 ( -2.373 5.050 2.742) 6.217 13.708 ( -3.426 5.693 1.292) 6.768 13.852 ( 0.784 -2.300 -7.050) 7.457 14.037 ( -4.612 -0.943 -2.894) 5.526 14.119 ( 0.458 4.730 -1.722) 5.055 14.369 ( 1.387 3.820 -7.712) 8.717 14.782 ( -4.548 2.186 -7.337) 8.905 15.064 ( 9.494 -4.088 6.613) 12.272 15.322 ( 6.026 8.276 -1.140) 10.301 15.461 ( 4.381 -3.376 6.484) 8.523 15.596 ( 9.231 -2.405 0.918) 9.583 15.801 ( 8.119 -2.003 6.887) 10.833 15.870 ( 1.931 -5.191 -5.263) 7.641 16.020 ( -2.884 0.415 5.811) 6.500 16.393 ( -5.803 -8.062 -5.823) 11.514 16.527 ( -1.077 -14.367 2.456) 14.615 16.611 ( -2.739 -5.627 -4.598) 7.766 16.900 ( 8.391 -0.154 4.946) 9.741 16.955 ( 17.302 -2.368 20.579) 26.990 17.715 ( 16.626 23.269 -10.552) 30.483 18.606 ( 24.154 -5.348 -11.191) 27.152 20.084 ( 0.316 2.672 1.901) 3.294 20.198 ( 7.176 0.993 0.268) 7.250 20.380 ( 1.942 -4.386 -0.566) 4.829 20.417 ( -6.561 -1.987 1.565) 7.031 20.599 ( 2.157 2.676 -3.458) 4.876 20.678 ( 2.464 3.276 -2.882) 5.011 20.769 ( 1.312 -0.142 1.107) 1.722 20.850 ( 2.997 0.198 -2.702) 4.040 20.913 ( 2.665 3.437 2.032) 4.800 21.214 ( -2.136 6.212 0.066) 6.569 21.223 ( -0.803 -0.424 -3.188) 3.314 21.387 ( 3.951 2.130 -3.835) 5.904 21.484 ( 0.249 -5.654 0.194) 5.662 21.636 ( 3.673 -4.069 -0.446) 5.499 21.699 ( 2.210 4.327 -1.652) 5.132 21.794 ( 4.927 -0.467 2.232) 5.429 21.903 ( 0.734 2.090 2.731) 3.516 21.975 ( 0.704 3.976 -0.392) 4.057 22.047 ( -1.595 5.901 -6.933) 9.243 22.119 ( -0.612 6.237 4.077) 7.476 22.276 ( 7.311 -2.790 -4.448) 9.002 22.401 ( 7.976 2.471 -2.507) 8.718 22.716 ( 7.733 -1.316 3.308) 8.513 22.765 ( 12.862 -5.976 2.471) 14.396 23.167 ( -7.848 -0.173 0.093) 7.851 23.282 ( -2.474 -5.022 -0.375) 5.611 23.553 ( -8.145 2.471 -0.141) 8.513 23.690 ( -5.744 6.165 1.120) 8.500 24.017 ( -24.154 -1.376 6.958) 25.174 24.404 ( -8.265 -2.608 -4.495) 9.762 24.568 ( -0.339 1.436 -0.497) 1.557 24.731 ( -2.970 -2.909 -3.767) 5.610 24.771 ( -4.473 -0.562 2.183) 5.009 24.922 ( -5.088 -2.846 6.772) 8.935 25.096 ( -1.709 1.343 -1.491) 2.636 25.150 ( -3.606 1.370 -0.605) 3.905 25.302 ( -8.437 3.312 4.132) 9.961 25.495 ( 0.992 2.086 -9.753) 10.022 25.772 ( -0.995 -0.302 0.414) 1.119 25.790 ( 1.700 -1.668 0.360) 2.409 26.052 ( -3.117 -1.633 -0.337) 3.535 26.113 ( -1.477 1.517 5.921) 6.288 26.127 ( -3.237 2.506 2.970) 5.057 26.256 ( 1.804 -2.122 2.906) 4.025 26.425 ( 1.871 -0.892 2.007) 2.885 26.469 ( 2.618 2.404 3.607) 5.064 26.566 ( -3.587 -4.129 -3.048) 6.262 26.840 ( 2.190 0.972 1.576) 2.868 26.904 ( -1.278 1.373 -5.468) 5.781 26.954 ( -0.532 -4.044 -1.013) 4.203 27.113 ( -3.137 -2.824 1.956) 4.652 27.162 ( -1.830 -4.355 -4.262) 6.363 27.539 ( -9.640 -0.416 -14.670) 17.559 27.588 ( -12.120 -3.112 1.499) 12.603 27.781 ( -3.424 0.342 -1.520) 3.761 27.858 ( 0.329 0.064 -0.882) 0.944 28.982 ( -9.603 5.283 17.184) 20.382 29.408 ( 4.947 -4.418 -4.951) 8.277 29.596 ( 8.994 -0.971 0.623) 9.068 29.880 ( 11.657 -3.937 4.720) 13.178 ======================= Grid point 124 (68/78) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -7.498 4.040 5.931) 10.379 1.435 ( -3.792 4.779 -4.648) 7.669 1.524 ( -8.813 8.871 22.059) 25.356 1.783 ( -2.977 -6.203 1.961) 7.154 2.120 ( -6.536 1.464 0.536) 6.719 2.151 ( 1.248 5.912 6.388) 8.793 2.310 ( -11.277 7.794 7.254) 15.509 2.330 ( -2.984 1.417 5.530) 6.442 2.420 ( -5.764 8.028 1.549) 10.004 2.679 ( -0.151 10.756 9.035) 14.048 2.813 ( -8.358 6.357 0.806) 10.532 2.947 ( -11.844 3.918 15.715) 20.065 2.980 ( -11.700 0.907 1.838) 11.878 3.051 ( -3.647 -3.887 -1.356) 5.500 3.288 ( -1.767 -2.794 -3.504) 4.817 3.438 ( 0.995 5.428 -3.052) 6.306 3.562 ( -3.820 -0.301 -5.776) 6.931 3.716 ( -0.862 -2.118 3.956) 4.570 3.818 ( -2.718 2.904 -2.166) 4.529 3.928 ( 0.918 -0.065 2.596) 2.755 3.960 ( -1.189 1.329 8.883) 9.060 4.152 ( -6.193 5.381 -0.563) 8.224 4.269 ( -2.601 4.378 1.106) 5.211 4.514 ( 0.042 -2.181 -0.909) 2.363 4.637 ( -0.811 0.551 -4.630) 4.733 4.688 ( 2.607 -2.432 7.643) 8.434 4.920 ( -1.648 3.639 -8.032) 8.970 5.472 ( -6.330 -8.027 -20.503) 22.910 5.908 ( -16.014 4.373 8.697) 18.740 6.077 ( 2.098 4.255 21.470) 21.988 6.307 ( -19.948 -2.008 -4.601) 20.570 6.388 ( -12.619 -7.003 23.793) 27.827 6.589 ( -15.208 -0.155 3.661) 15.643 6.811 ( -14.083 1.082 -2.352) 14.319 6.907 ( -6.085 -2.688 14.228) 15.706 7.152 ( 3.663 -0.343 -10.079) 10.729 7.349 ( 10.049 4.506 2.207) 11.233 7.357 ( 9.295 1.823 -21.127) 23.153 7.725 ( 10.355 -4.534 -29.474) 31.567 7.767 ( -2.404 -1.690 9.448) 9.894 8.010 ( 3.226 -0.414 14.438) 14.800 8.101 ( -3.047 -10.251 -0.163) 10.696 8.388 ( -2.990 3.317 -5.464) 7.057 8.521 ( -5.713 3.883 5.151) 8.616 8.775 ( 12.115 6.996 -7.186) 15.727 8.869 ( 9.941 3.304 -7.006) 12.602 9.173 ( -6.619 1.474 -13.575) 15.174 9.220 ( 1.973 -16.845 0.155) 16.961 9.544 ( -8.156 2.490 4.564) 9.672 9.704 ( -3.309 2.062 -5.532) 6.768 9.730 ( -11.064 8.198 -5.968) 15.008 9.989 ( -1.985 -5.889 -2.168) 6.581 10.221 ( -0.202 -7.013 -3.152) 7.692 10.344 ( -6.487 -9.281 -1.705) 11.451 10.385 ( -4.296 -7.668 0.837) 8.830 10.506 ( 7.003 -6.202 -0.437) 9.365 10.703 ( 0.842 -3.205 1.337) 3.574 10.802 ( 4.951 1.502 -7.361) 8.997 11.068 ( 5.328 -1.937 3.800) 6.825 11.183 ( 2.476 -1.083 -0.056) 2.703 11.267 ( -5.456 -0.604 0.494) 5.512 11.542 ( 9.513 -4.813 9.064) 13.993 11.618 ( -9.652 7.327 -5.795) 13.432 11.847 ( -5.154 -0.832 -3.244) 6.147 11.908 ( -2.452 -0.376 -4.842) 5.440 12.129 ( 1.636 3.678 5.689) 6.970 12.181 ( 7.560 0.063 -5.504) 9.351 12.231 ( 7.187 -2.680 3.349) 8.369 12.395 ( -0.465 7.304 3.597) 8.155 12.500 ( -3.547 0.057 10.185) 10.785 12.533 ( -11.062 -6.319 6.114) 14.131 12.822 ( 0.556 -6.973 0.973) 7.062 12.931 ( -3.028 7.858 5.338) 9.970 13.247 ( 2.685 8.402 -0.510) 8.835 13.264 ( -0.658 8.285 0.910) 8.361 13.572 ( -0.728 0.717 1.358) 1.699 13.705 ( -0.673 5.610 3.373) 6.580 13.799 ( 0.212 -6.236 -7.431) 9.703 13.983 ( -0.337 -1.195 0.373) 1.297 14.118 ( 0.160 8.478 1.625) 8.634 14.259 ( -3.829 2.857 -8.411) 9.673 14.638 ( 2.374 7.393 -18.134) 19.726 15.240 ( 6.741 -1.355 6.654) 9.569 15.447 ( 7.512 2.225 4.026) 8.809 15.652 ( 6.209 -2.752 3.072) 7.454 15.747 ( 4.446 -7.917 2.857) 9.519 15.826 ( -1.514 -2.854 -2.999) 4.408 15.914 ( -2.834 2.022 3.481) 4.923 16.051 ( -2.566 -12.834 6.722) 14.713 16.248 ( -0.947 2.489 -1.638) 3.127 16.451 ( -6.325 0.300 -1.788) 6.580 16.590 ( 2.227 -26.888 -1.232) 27.008 17.103 ( 7.006 7.336 9.474) 13.880 17.460 ( 13.999 -1.978 26.471) 30.010 17.796 ( 8.168 23.532 -16.098) 29.658 18.752 ( 9.832 -6.573 -19.667) 22.949 20.125 ( 1.392 3.499 3.893) 5.417 20.308 ( 4.610 0.508 -0.097) 4.639 20.343 ( -6.045 0.001 6.579) 8.934 20.414 ( 2.589 -4.886 -1.674) 5.777 20.589 ( 2.456 3.311 -4.219) 5.899 20.727 ( 4.984 1.225 -3.621) 6.281 20.769 ( -3.068 1.839 3.212) 4.807 20.833 ( -1.492 0.685 -2.498) 2.989 21.001 ( 3.422 0.393 2.577) 4.302 21.120 ( -4.529 3.078 -5.117) 7.495 21.195 ( 0.158 6.447 -4.581) 7.910 21.351 ( 0.248 -0.770 -7.221) 7.267 21.513 ( 2.114 -2.011 1.143) 3.133 21.656 ( 2.393 -0.597 -4.700) 5.307 21.747 ( 1.461 1.421 0.725) 2.163 21.849 ( -1.812 -2.819 -2.255) 4.039 21.914 ( 1.950 3.641 2.966) 5.085 21.957 ( -0.810 5.396 0.599) 5.489 22.027 ( 3.239 2.721 -1.131) 4.379 22.138 ( 2.196 7.165 -3.292) 8.185 22.364 ( 7.523 -0.066 -3.892) 8.470 22.501 ( 6.181 1.743 -3.045) 7.108 22.890 ( 7.586 -4.000 4.237) 9.565 23.032 ( 13.466 -5.799 0.312) 14.665 23.125 ( -3.428 0.934 5.155) 6.261 23.257 ( 2.581 -1.575 1.326) 3.302 23.356 ( -12.064 0.722 0.754) 12.109 23.647 ( -5.060 -0.613 1.397) 5.285 23.685 ( -20.853 4.029 11.298) 24.057 24.203 ( -8.209 -1.659 -6.952) 10.884 24.574 ( -0.103 0.473 0.916) 1.036 24.653 ( -3.406 -2.720 1.903) 4.756 24.723 ( -2.579 0.546 2.674) 3.755 24.953 ( 0.179 -4.742 3.511) 5.903 25.053 ( -1.129 1.455 -0.828) 2.019 25.104 ( -0.654 1.549 1.744) 2.422 25.205 ( -6.198 3.460 3.391) 7.867 25.420 ( 0.632 1.819 -8.665) 8.877 25.739 ( -4.602 -10.215 4.566) 12.098 25.825 ( 2.318 -3.050 -1.565) 4.138 26.025 ( -0.527 2.161 1.625) 2.754 26.106 ( -2.194 3.671 2.346) 4.878 26.181 ( 1.657 1.382 6.179) 6.545 26.329 ( -0.541 -2.800 7.858) 8.360 26.460 ( -2.070 -0.463 -4.462) 4.940 26.497 ( 6.971 -0.987 -4.125) 8.160 26.555 ( 3.072 0.008 2.049) 3.692 26.789 ( -6.114 -3.416 -2.511) 7.440 26.841 ( -1.338 1.209 -6.668) 6.908 26.947 ( -2.107 2.600 -1.759) 3.780 27.023 ( -4.264 -1.439 0.232) 4.507 27.100 ( -1.556 0.610 0.914) 1.905 27.268 ( -7.923 1.058 -6.668) 10.410 27.422 ( -8.399 -4.019 0.235) 9.314 27.758 ( 0.084 -1.846 2.021) 2.738 27.866 ( 2.374 -0.886 -3.205) 4.086 29.008 ( -7.529 6.125 18.305) 20.719 29.421 ( 4.476 -1.830 -9.204) 10.397 29.757 ( 6.750 -4.456 3.853) 8.959 30.050 ( 5.668 -8.159 -3.383) 10.495 ======================= Grid point 125 (69/78) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -2.466 6.866 0.968) 7.360 1.363 ( 0.008 1.699 -3.612) 3.992 1.724 ( 2.060 -3.889 0.310) 4.412 1.787 ( -3.650 -9.371 -5.390) 11.410 2.011 ( 4.529 13.285 13.767) 19.661 2.208 ( 2.383 -6.391 9.542) 11.729 2.257 ( -7.319 6.987 -8.106) 12.965 2.356 ( -0.030 -1.606 -5.447) 5.679 2.668 ( -1.073 4.955 2.157) 5.510 2.713 ( 2.141 1.109 -3.557) 4.297 2.923 ( -1.356 2.928 12.482) 12.893 2.992 ( -1.668 1.709 0.357) 2.414 3.023 ( -1.034 -1.190 2.674) 3.104 3.063 ( -0.712 0.565 9.245) 9.290 3.170 ( 0.119 7.688 -1.736) 7.883 3.303 ( 2.702 -4.503 -7.558) 9.203 3.761 ( -1.605 2.703 9.810) 10.301 3.781 ( -0.725 1.212 12.120) 12.202 3.865 ( 1.584 4.079 -0.285) 4.385 3.955 ( 2.130 -3.170 -1.046) 3.960 4.074 ( 6.239 4.619 5.398) 9.455 4.165 ( 3.524 -2.022 2.563) 4.804 4.233 ( -5.801 4.029 -7.253) 10.123 4.331 ( -6.557 -5.373 -8.305) 11.868 4.767 ( 1.915 4.196 11.261) 12.169 4.812 ( 5.283 0.328 4.357) 6.856 4.942 ( -0.409 6.643 -8.334) 10.665 5.069 ( -2.498 -5.352 -17.072) 18.065 5.867 ( -2.878 7.128 5.461) 9.429 5.978 ( -2.306 -2.205 -5.251) 6.145 6.394 ( -5.903 0.235 22.756) 23.511 6.458 ( 1.237 -1.431 22.895) 22.973 6.487 ( -3.282 -4.077 8.386) 9.885 6.535 ( -1.045 -3.502 20.374) 20.699 7.137 ( 8.305 4.374 -16.786) 19.233 7.252 ( -2.377 13.718 -3.823) 14.438 7.257 ( 9.425 0.350 -15.207) 17.894 7.455 ( 0.027 1.141 -16.772) 16.811 7.584 ( 3.726 -6.123 -1.509) 7.325 7.658 ( -5.130 -11.765 -6.219) 14.262 8.068 ( 6.661 10.463 8.953) 15.296 8.255 ( 6.629 4.922 7.362) 11.062 8.350 ( 2.478 -3.644 -2.271) 4.957 8.503 ( -2.913 -5.502 15.554) 16.753 8.601 ( -15.329 -10.358 -10.462) 21.254 8.705 ( -15.803 -11.970 -7.205) 21.093 9.026 ( 9.657 1.263 -13.396) 16.562 9.044 ( 8.298 0.838 -15.777) 17.846 9.660 ( -0.212 10.622 3.812) 11.288 9.737 ( 0.117 6.510 -1.110) 6.605 9.815 ( 1.235 7.955 -2.614) 8.464 9.846 ( -5.775 -1.896 -2.750) 6.671 9.940 ( 1.635 -9.946 -0.806) 10.111 10.014 ( -4.031 -7.954 -7.689) 11.774 10.332 ( 5.367 -4.991 1.617) 7.505 10.390 ( 1.904 -8.442 -3.527) 9.346 10.764 ( 0.366 4.312 4.307) 6.105 10.821 ( -1.152 0.021 -0.959) 1.499 11.113 ( -1.623 1.143 4.714) 5.115 11.164 ( 0.781 -3.107 0.992) 3.354 11.390 ( 7.378 6.244 10.700) 14.420 11.506 ( 0.009 -3.087 3.115) 4.386 11.703 ( -1.499 0.137 -4.681) 4.917 11.729 ( -6.471 1.217 -7.905) 10.288 11.819 ( -4.196 6.342 4.018) 8.601 12.021 ( -0.584 -7.475 -12.478) 14.557 12.182 ( -3.206 -3.898 2.013) 5.433 12.205 ( 4.783 -4.414 -1.889) 6.777 12.433 ( 1.516 2.294 12.127) 12.435 12.483 ( 0.692 -2.398 8.148) 8.522 12.676 ( 0.286 0.520 2.473) 2.544 12.705 ( -1.212 -2.508 -0.664) 2.863 13.256 ( 6.482 9.913 3.602) 12.379 13.322 ( -4.590 7.768 -5.259) 10.443 13.418 ( 3.642 -3.855 4.411) 6.898 13.477 ( -2.389 -5.237 -4.487) 7.299 13.786 ( -1.674 5.897 4.394) 7.542 13.844 ( -1.548 4.829 2.466) 5.639 13.955 ( 1.037 0.476 -1.098) 1.584 14.072 ( 0.682 -5.330 -9.285) 10.728 14.619 ( 1.741 28.492 4.779) 28.942 14.794 ( 0.758 19.015 -12.205) 22.607 15.322 ( 5.486 -20.639 3.769) 21.686 15.406 ( -2.811 -22.680 -4.916) 23.376 15.493 ( -1.168 -3.667 4.116) 5.634 15.519 ( 1.469 -5.365 1.137) 5.677 15.800 ( -2.107 1.061 2.300) 3.295 15.834 ( -0.862 -1.866 -1.011) 2.290 15.948 ( -2.108 0.399 2.679) 3.432 16.016 ( -4.808 -6.836 -3.637) 9.115 16.418 ( 1.791 0.901 1.038) 2.258 16.443 ( 3.452 -1.196 -1.260) 3.864 17.593 ( 2.292 12.900 24.118) 27.447 17.807 ( 3.998 -7.957 28.727) 30.076 18.082 ( -2.650 17.329 -22.581) 28.587 18.378 ( -4.009 -11.685 -26.145) 28.916 20.281 ( 2.641 3.350 3.998) 5.847 20.327 ( -3.119 -0.439 1.307) 3.410 20.334 ( -1.349 0.901 3.543) 3.897 20.376 ( 4.344 -3.196 1.908) 5.721 20.639 ( -1.145 1.972 -3.220) 3.946 20.678 ( -1.899 -1.182 -5.593) 6.024 20.783 ( -2.847 2.138 1.046) 3.711 20.829 ( 2.114 -2.094 -3.238) 4.398 21.060 ( -0.499 2.234 2.915) 3.706 21.085 ( 0.235 0.483 2.131) 2.198 21.208 ( -0.712 2.343 -4.042) 4.726 21.253 ( -0.552 -1.804 -5.899) 6.193 21.602 ( 0.122 2.460 0.571) 2.528 21.641 ( -0.109 -1.164 -2.795) 3.029 21.747 ( -0.930 0.583 0.920) 1.432 21.772 ( 1.939 -1.691 -1.057) 2.781 22.039 ( -1.599 2.213 4.183) 4.995 22.063 ( -0.759 0.027 0.285) 0.811 22.083 ( 0.886 6.499 -2.642) 7.071 22.177 ( 3.138 -1.797 -8.761) 9.478 22.536 ( 1.950 5.626 -1.536) 6.149 22.553 ( -1.012 2.974 -2.932) 4.297 22.874 ( -2.299 -5.088 2.736) 6.217 22.926 ( -2.143 -8.350 -2.256) 8.911 23.243 ( -3.378 3.256 0.462) 4.714 23.255 ( 5.501 2.831 -0.744) 6.231 23.332 ( -4.351 -2.847 1.425) 5.391 23.355 ( 8.941 -3.604 -0.706) 9.666 23.920 ( 0.851 7.305 10.722) 13.002 24.026 ( -1.221 -2.557 0.353) 2.855 24.563 ( -0.907 -0.158 1.779) 2.003 24.583 ( -1.052 -1.813 -0.358) 2.127 24.851 ( 3.703 4.552 6.836) 9.009 24.921 ( 0.574 -0.784 0.645) 1.167 25.074 ( 1.479 -0.328 1.202) 1.934 25.095 ( -0.487 -1.551 -0.575) 1.725 25.268 ( -3.481 5.067 6.742) 9.123 25.424 ( -1.356 1.457 -2.753) 3.397 25.446 ( -2.932 -6.422 4.294) 8.263 25.632 ( 1.904 -11.884 -7.940) 14.418 26.192 ( -0.365 6.932 1.855) 7.186 26.212 ( -1.599 5.245 0.162) 5.486 26.286 ( -0.869 0.517 4.263) 4.381 26.343 ( -0.635 -2.562 -0.087) 2.640 26.401 ( 1.163 4.084 4.266) 6.019 26.534 ( 5.920 -3.197 -5.635) 8.776 26.559 ( -0.127 -1.025 -0.544) 1.168 26.615 ( -0.776 -2.963 -4.162) 5.167 26.889 ( 1.952 4.232 0.466) 4.684 26.907 ( -4.546 5.863 -1.412) 7.552 26.976 ( -0.081 -4.027 2.377) 4.677 27.034 ( -0.464 -5.043 -3.818) 6.342 27.228 ( 1.930 -0.825 -0.066) 2.100 27.241 ( -2.291 -2.289 -1.265) 3.477 27.768 ( 1.870 1.466 -1.437) 2.777 27.822 ( 4.895 -3.424 -6.604) 8.905 29.216 ( -6.459 8.021 16.283) 19.266 29.358 ( -2.857 -4.743 5.997) 8.162 29.782 ( -0.234 2.139 -1.119) 2.426 29.897 ( 4.032 -7.420 -9.264) 12.535 ======================= Grid point 126 (70/78) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -9.754 4.000 3.271) 11.038 1.341 ( -4.719 -7.681 1.603) 9.157 1.745 ( 7.499 4.034 1.177) 8.596 1.915 ( 11.243 -9.101 2.606) 14.698 2.057 ( -2.257 6.588 -8.534) 11.015 2.169 ( -4.256 -4.014 -1.916) 6.156 2.312 ( 10.645 11.052 9.085) 17.833 2.498 ( 10.791 -5.962 0.416) 12.336 2.710 ( 4.844 5.311 -0.906) 7.245 2.755 ( 5.151 1.008 -2.670) 5.889 2.992 ( 1.271 0.584 1.138) 1.803 3.024 ( 1.636 10.626 2.452) 11.027 3.041 ( 3.191 -1.202 3.851) 5.144 3.184 ( 8.220 0.364 0.969) 8.285 3.229 ( 3.640 -0.563 4.506) 5.820 3.307 ( 7.643 -3.289 -8.990) 12.249 3.804 ( -3.201 2.343 6.116) 7.290 3.811 ( -2.482 3.349 3.926) 5.726 3.883 ( -0.430 1.941 -2.756) 3.398 3.910 ( 1.691 4.396 -9.241) 10.372 4.103 ( -1.674 -3.341 -6.680) 7.654 4.156 ( -1.720 -3.972 -3.038) 5.288 4.291 ( 10.330 5.235 7.063) 13.565 4.375 ( 7.733 -3.454 7.035) 11.009 4.798 ( -2.348 6.470 -7.169) 9.938 4.869 ( -0.546 -0.219 -12.286) 12.300 4.926 ( 4.476 2.727 2.738) 5.914 4.993 ( 5.873 -1.760 11.065) 12.650 6.086 ( 16.726 4.049 9.661) 19.736 6.113 ( 19.579 2.217 1.124) 19.736 6.512 ( 4.350 0.161 8.968) 9.969 6.617 ( 7.372 -7.396 6.615) 12.362 6.757 ( 7.229 1.216 14.669) 16.399 6.806 ( 10.409 -3.151 15.598) 19.015 6.933 ( -1.951 6.063 -24.567) 25.379 7.036 ( 1.526 -3.074 -34.567) 34.737 7.254 ( -5.564 9.456 -3.664) 11.567 7.335 ( -0.557 10.292 3.423) 10.861 7.537 ( -5.650 -6.633 -5.694) 10.409 7.671 ( 4.248 -12.000 6.849) 14.455 7.960 ( -14.673 9.583 -7.126) 18.918 8.193 ( -10.998 -7.085 -9.504) 16.170 8.281 ( -2.520 2.911 4.631) 6.022 8.485 ( -10.062 -12.830 7.957) 18.143 8.709 ( 11.046 -1.693 18.467) 21.584 8.785 ( 10.664 -4.078 20.480) 23.447 8.986 ( 5.749 1.153 -17.691) 18.638 9.015 ( 6.195 -1.807 -14.918) 16.254 9.720 ( 2.039 3.965 3.375) 5.592 9.763 ( 2.554 2.696 -1.403) 3.969 9.796 ( 3.297 1.504 0.725) 3.696 9.887 ( 4.357 8.717 2.927) 10.175 9.932 ( 2.347 -5.862 -0.933) 6.383 10.087 ( 9.800 -10.002 4.873) 14.826 10.304 ( -2.202 -4.029 -5.381) 7.074 10.376 ( 0.610 -9.087 -3.666) 9.818 10.774 ( -1.976 2.784 -1.918) 3.916 10.789 ( -2.079 1.076 2.129) 3.164 11.166 ( 0.951 1.593 -1.471) 2.368 11.207 ( -0.761 -1.684 -4.751) 5.098 11.343 ( -4.829 5.275 -2.913) 7.722 11.415 ( -8.492 -1.383 0.258) 8.607 11.718 ( 3.385 5.424 8.656) 10.762 11.780 ( 5.102 0.634 5.162) 7.286 11.840 ( -2.668 -4.121 7.003) 8.553 11.872 ( -1.758 -4.368 -1.864) 5.064 12.214 ( 3.593 2.467 -2.414) 4.983 12.310 ( 5.257 -5.197 -1.369) 7.518 12.490 ( -0.393 1.197 -3.711) 3.919 12.520 ( 0.618 -1.992 0.620) 2.175 12.699 ( 1.954 -1.788 1.479) 3.033 12.708 ( 2.456 -2.775 -0.424) 3.730 13.197 ( -4.605 11.069 -1.855) 12.132 13.374 ( 0.552 -3.875 -3.383) 5.174 13.411 ( 1.826 3.843 -1.397) 4.478 13.490 ( 2.715 -2.110 1.257) 3.661 13.771 ( -2.951 7.710 4.453) 9.380 13.860 ( -0.634 4.892 2.985) 5.766 13.926 ( -1.522 -1.069 -1.809) 2.595 14.065 ( 3.561 -7.063 -2.553) 8.312 14.661 ( -2.572 23.695 -7.535) 24.997 14.686 ( -0.424 23.254 3.947) 23.591 15.290 ( -2.307 -13.287 -5.516) 14.570 15.370 ( -4.771 -21.374 1.765) 21.971 15.524 ( 2.209 -5.576 -0.210) 6.002 15.550 ( 0.563 -10.562 -0.480) 10.588 15.767 ( -4.709 3.162 0.683) 5.713 15.837 ( -1.278 -4.243 1.799) 4.782 15.910 ( -2.782 -0.693 3.863) 4.811 15.966 ( -3.499 -6.050 7.594) 10.320 16.461 ( 4.583 1.212 -2.974) 5.596 16.489 ( 5.066 -0.985 -3.818) 6.420 17.708 ( -12.091 14.094 -23.636) 30.059 17.774 ( -8.081 15.074 20.665) 26.824 17.948 ( -14.826 -8.074 -25.820) 30.849 18.060 ( -9.014 -11.344 29.265) 32.656 20.267 ( -2.790 1.869 -2.450) 4.157 20.295 ( -3.590 -0.790 1.616) 4.016 20.390 ( 3.457 4.465 -1.108) 5.754 20.451 ( 4.426 -1.480 -3.520) 5.846 20.574 ( -4.354 1.930 2.591) 5.422 20.639 ( -0.251 -3.882 3.686) 5.359 20.738 ( -5.267 2.426 1.649) 6.029 20.813 ( -2.138 -4.067 -1.414) 4.807 21.104 ( 1.064 4.143 -2.414) 4.912 21.129 ( 5.148 3.136 3.121) 6.788 21.199 ( 0.636 -1.042 -1.880) 2.242 21.213 ( 0.786 -1.294 4.666) 4.905 21.581 ( -3.069 1.959 0.548) 3.682 21.600 ( -2.397 0.100 -0.534) 2.458 21.739 ( -1.274 1.996 0.651) 2.456 21.801 ( 2.287 -3.013 -1.532) 4.081 22.001 ( -4.774 3.324 0.380) 5.829 22.048 ( -2.556 -1.041 2.031) 3.426 22.069 ( -0.676 4.516 0.274) 4.574 22.138 ( 1.451 -0.815 -5.381) 5.633 22.434 ( -8.076 5.330 -0.945) 9.722 22.531 ( -1.947 1.594 -1.827) 3.110 22.761 ( -12.340 -5.236 3.523) 13.860 22.836 ( -6.832 -7.160 1.585) 10.023 23.252 ( 3.701 1.327 -3.036) 4.967 23.276 ( 1.544 -0.938 -2.495) 3.081 23.445 ( 12.654 4.135 -1.744) 13.426 23.547 ( 12.247 -5.479 -0.295) 13.420 24.014 ( 4.329 5.226 -1.992) 7.072 24.075 ( 6.991 -0.353 1.979) 7.274 24.583 ( 0.919 -0.168 0.883) 1.286 24.599 ( 1.854 -1.668 1.871) 3.118 24.877 ( -0.039 4.299 -4.954) 6.559 24.942 ( 2.192 -0.976 -1.113) 2.645 25.097 ( 2.091 1.908 -1.406) 3.160 25.129 ( 3.029 -0.189 0.092) 3.036 25.308 ( -1.443 3.952 8.802) 9.756 25.414 ( 5.017 7.585 -6.244) 11.031 25.493 ( -0.168 -12.122 11.251) 16.539 25.630 ( 5.575 -12.501 -5.007) 14.575 26.170 ( -2.867 6.965 0.665) 7.561 26.207 ( -0.470 3.050 1.793) 3.569 26.297 ( -1.105 0.074 0.387) 1.173 26.326 ( -1.586 -1.082 1.940) 2.729 26.446 ( 1.338 6.027 -2.076) 6.513 26.505 ( 2.108 0.114 -6.820) 7.140 26.576 ( 1.481 -1.608 -1.157) 2.473 26.650 ( 5.084 -6.519 1.134) 8.344 26.805 ( -3.943 5.058 1.480) 6.582 26.935 ( -2.578 -6.367 1.244) 6.981 27.011 ( 6.134 6.407 2.151) 9.127 27.127 ( 7.057 -3.825 -2.066) 8.288 27.190 ( 0.586 0.919 0.108) 1.096 27.263 ( 0.327 -7.081 2.780) 7.614 27.801 ( 5.886 2.705 -4.559) 7.921 27.864 ( 7.484 -3.487 -7.047) 10.855 29.248 ( -7.084 5.977 14.022) 16.809 29.342 ( -3.760 -1.957 2.589) 4.967 29.723 ( -4.853 3.752 -1.063) 6.225 29.863 ( 0.805 -8.767 -6.362) 10.862 ======================= Grid point 127 (71/78) ======================= q-point: ( 0.20 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -5.633 4.778 10.760) 13.051 1.326 ( -1.098 -13.367 8.412) 15.831 1.876 ( -0.026 9.044 -1.416) 9.154 1.974 ( 3.870 5.421 -1.984) 6.950 2.105 ( 3.306 -6.340 -6.492) 9.658 2.145 ( 8.351 -5.918 2.537) 10.545 2.508 ( 6.219 4.674 -0.920) 7.834 2.591 ( 2.642 -2.970 -4.292) 5.850 2.754 ( 4.842 4.754 -4.898) 8.369 2.825 ( 6.012 0.253 -2.086) 6.369 3.049 ( -0.368 8.072 2.614) 8.492 3.091 ( 9.346 8.975 -0.483) 12.967 3.159 ( 3.019 -3.243 4.350) 6.209 3.297 ( 4.969 1.935 -2.899) 6.070 3.357 ( 5.589 -4.369 3.869) 8.080 3.392 ( 12.659 -6.361 -8.798) 16.677 3.752 ( -2.726 5.554 0.835) 6.243 3.825 ( -1.595 -0.438 1.938) 2.548 3.884 ( 2.821 5.265 2.651) 6.535 3.950 ( 7.505 3.849 -0.971) 8.490 4.018 ( 0.122 -1.399 -2.481) 2.851 4.177 ( 1.415 -8.718 1.319) 8.930 4.420 ( 0.269 3.023 -2.892) 4.192 4.467 ( -0.402 -1.664 -1.230) 2.108 4.740 ( 4.696 7.069 -4.303) 9.515 4.819 ( 8.123 -1.803 -10.259) 13.209 5.079 ( 8.911 10.086 6.601) 14.990 5.274 ( 10.396 -7.869 14.531) 19.523 6.390 ( -0.735 6.651 -16.447) 17.756 6.421 ( 10.107 3.810 -15.256) 18.692 6.560 ( 5.563 6.748 11.295) 14.285 6.684 ( 11.921 -6.615 9.174) 16.432 6.791 ( 1.881 0.941 -7.300) 7.597 6.929 ( 0.329 -8.263 -0.599) 8.291 7.005 ( -2.565 5.868 1.866) 6.670 7.086 ( 5.058 -1.835 3.216) 6.268 7.254 ( 23.739 1.324 -1.059) 23.799 7.347 ( 2.609 -2.716 -4.289) 5.708 7.467 ( 4.629 8.694 9.317) 13.559 7.725 ( -9.116 -3.915 -1.618) 10.052 7.796 ( 4.581 -5.524 0.327) 7.183 7.993 ( -1.838 -10.401 0.107) 10.563 8.294 ( -5.689 4.260 10.210) 12.441 8.429 ( -5.914 -10.693 10.629) 16.195 8.901 ( 8.099 6.007 -13.356) 16.735 8.916 ( 8.454 3.229 -16.703) 18.997 9.116 ( 9.604 -2.182 7.704) 12.504 9.164 ( 8.218 -2.000 17.503) 19.440 9.750 ( -3.030 -0.100 4.187) 5.169 9.814 ( 1.738 -8.017 0.665) 8.231 9.879 ( 4.402 6.411 -6.923) 10.412 9.911 ( 10.177 1.756 -5.764) 11.827 10.091 ( 5.600 7.065 7.160) 11.512 10.231 ( 2.026 -7.524 0.475) 7.806 10.370 ( 9.871 -3.654 4.809) 11.572 10.455 ( 11.351 -7.709 7.054) 15.428 10.697 ( -2.404 2.761 -8.102) 8.890 10.732 ( -5.738 -1.104 -0.466) 5.862 10.991 ( -8.091 2.185 -3.363) 9.031 11.048 ( -7.195 -2.879 -3.891) 8.672 11.349 ( 3.078 1.138 -1.710) 3.701 11.406 ( 2.512 -4.675 -1.375) 5.482 11.751 ( -8.070 5.493 4.829) 10.891 11.824 ( -0.824 -0.599 7.292) 7.363 11.958 ( 4.322 0.896 5.946) 7.405 11.976 ( -0.218 -1.029 11.848) 11.895 12.177 ( -4.727 2.881 -8.491) 10.137 12.235 ( -2.324 -1.098 -5.789) 6.334 12.538 ( 5.981 -0.810 -6.290) 8.718 12.557 ( 8.490 -2.354 -0.963) 8.863 12.719 ( 3.599 0.982 -6.031) 7.092 12.785 ( 8.202 -4.738 -1.825) 9.646 13.111 ( -3.519 9.006 -2.782) 10.061 13.258 ( -3.453 -4.603 -8.013) 9.865 13.465 ( 4.096 4.800 -0.852) 6.367 13.561 ( 2.628 -4.370 3.435) 6.148 13.804 ( 2.740 8.567 1.401) 9.103 13.868 ( -3.195 10.516 5.883) 12.466 13.926 ( 2.116 -4.544 1.906) 5.362 14.089 ( -0.172 -9.011 1.681) 9.169 14.579 ( -0.666 23.173 -2.708) 23.340 14.727 ( 1.730 12.822 4.780) 13.793 15.197 ( -3.594 -6.314 -8.348) 11.067 15.285 ( -6.155 -13.704 3.281) 15.377 15.510 ( -5.108 -5.362 -0.264) 7.410 15.519 ( -1.000 -9.189 -2.033) 9.465 15.633 ( -8.806 2.336 -1.610) 9.252 15.742 ( -10.034 -7.803 -0.025) 12.711 15.984 ( 1.491 -1.460 6.107) 6.454 16.027 ( 2.817 -5.535 7.334) 9.610 16.518 ( 5.875 2.546 -3.216) 7.165 16.564 ( 6.729 -1.397 -2.169) 7.207 17.239 ( -15.470 8.028 -21.212) 27.454 17.371 ( -18.520 -4.959 -26.471) 32.685 17.799 ( -16.241 15.548 21.232) 30.924 18.076 ( -19.380 -11.544 23.999) 32.936 20.188 ( -3.455 2.233 -2.569) 4.850 20.222 ( -5.302 -0.678 -0.775) 5.402 20.372 ( -2.757 4.545 -3.114) 6.161 20.454 ( 0.779 -2.516 -4.459) 5.178 20.565 ( -2.694 3.068 5.581) 6.914 20.655 ( -7.292 -4.177 5.012) 9.785 20.680 ( -0.475 0.954 2.395) 2.622 20.751 ( -1.691 -3.859 1.481) 4.466 21.066 ( -1.950 5.629 -2.781) 6.574 21.169 ( -0.038 -4.023 -2.765) 4.882 21.289 ( 5.174 5.077 5.297) 8.978 21.336 ( 4.476 0.497 5.569) 7.162 21.522 ( -3.143 2.425 -0.785) 4.047 21.550 ( -2.834 -0.482 -0.081) 2.876 21.724 ( -3.062 2.206 3.652) 5.251 21.799 ( -1.132 -4.482 -0.484) 4.648 21.930 ( -2.165 4.046 -0.893) 4.675 22.013 ( -1.092 -3.053 -1.929) 3.772 22.071 ( -0.551 4.244 1.379) 4.497 22.152 ( 2.370 -2.316 -0.223) 3.322 22.294 ( -6.753 7.319 0.797) 9.990 22.467 ( -2.310 -2.680 -1.503) 3.844 22.585 ( -11.720 -0.038 2.793) 12.048 22.709 ( -8.809 -6.443 -0.573) 10.928 23.265 ( 3.494 0.358 -6.937) 7.776 23.278 ( 2.993 -0.964 -4.937) 5.854 23.624 ( 7.852 4.466 0.519) 9.048 23.712 ( 6.628 -3.178 1.586) 7.520 24.146 ( 13.698 4.115 -2.430) 14.508 24.242 ( 10.416 -4.154 1.369) 11.297 24.600 ( 0.062 1.823 0.474) 1.884 24.643 ( 1.067 -2.362 1.358) 2.926 24.881 ( 5.681 4.255 -4.001) 8.148 24.962 ( 5.034 -3.481 -4.331) 7.498 25.113 ( 0.175 3.374 0.833) 3.480 25.171 ( 1.839 -1.774 -0.855) 2.694 25.385 ( -0.087 6.847 9.178) 11.451 25.473 ( 6.590 3.627 -3.007) 8.101 25.615 ( 3.492 -5.639 5.960) 8.917 25.709 ( 7.956 -9.828 -2.997) 12.995 26.131 ( -1.883 6.421 -0.160) 6.693 26.206 ( -0.243 -1.497 -1.073) 1.858 26.269 ( -0.496 3.136 -2.011) 3.758 26.310 ( -0.185 2.957 -1.944) 3.544 26.454 ( 3.111 0.809 -1.521) 3.556 26.489 ( 2.282 -1.364 -4.955) 5.623 26.586 ( 0.090 2.852 -1.486) 3.217 26.727 ( 2.557 -8.530 -0.086) 8.906 26.815 ( -0.463 4.241 7.435) 8.572 26.936 ( -0.971 -6.934 4.577) 8.365 27.034 ( -1.894 4.405 -3.587) 5.988 27.126 ( 0.617 -3.902 -5.265) 6.583 27.315 ( 5.392 0.484 8.605) 10.166 27.379 ( 5.868 -5.238 8.349) 11.470 27.883 ( 10.257 2.593 -7.316) 12.862 27.933 ( 9.454 -2.525 -8.343) 12.860 29.245 ( -7.425 3.227 10.997) 13.655 29.291 ( -4.393 -0.681 1.828) 4.806 29.621 ( -4.349 6.808 -3.054) 8.636 29.795 ( -1.940 -9.754 -5.742) 11.484 ======================= Grid point 128 (72/78) ======================= q-point: ( 0.30 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.101 8.884 15.289) 17.683 1.448 ( 2.644 -12.995 11.340) 17.449 1.792 ( -1.873 9.888 -7.399) 12.491 1.982 ( -0.141 -7.898 -3.737) 8.739 2.131 ( 3.339 5.600 -4.727) 8.054 2.251 ( 2.719 -4.631 0.831) 5.434 2.511 ( 2.947 2.650 -10.076) 10.827 2.586 ( 5.115 -4.435 -4.993) 8.413 2.857 ( 7.432 6.290 -1.416) 9.839 2.927 ( 7.561 0.617 -0.006) 7.586 3.042 ( -2.572 5.554 2.587) 6.645 3.157 ( -4.476 -3.855 2.639) 6.470 3.261 ( 6.711 4.067 0.756) 7.883 3.340 ( 6.284 -1.789 -3.668) 7.493 3.488 ( 7.018 2.344 1.071) 7.476 3.552 ( 11.548 -4.205 -3.815) 12.869 3.727 ( -3.483 4.898 3.200) 6.808 3.796 ( -4.367 -1.847 3.084) 5.656 3.957 ( 2.376 7.189 0.996) 7.637 4.031 ( -1.520 1.887 4.007) 4.683 4.140 ( 8.967 -2.833 5.828) 11.063 4.225 ( 4.504 -8.641 0.723) 9.771 4.354 ( -1.265 1.293 -4.714) 5.049 4.389 ( -3.432 -1.784 -3.526) 5.234 4.852 ( 11.081 5.691 -2.105) 12.634 4.922 ( 11.969 -1.305 -4.398) 12.818 5.303 ( 8.790 13.556 5.296) 17.002 5.554 ( 7.701 -10.029 8.294) 15.122 6.198 ( 2.323 11.618 -12.397) 17.148 6.351 ( 8.457 -1.402 -13.493) 15.986 6.640 ( -12.751 -2.419 -2.561) 13.229 6.667 ( -8.492 -2.777 -1.746) 9.103 6.774 ( -6.775 8.420 8.711) 13.881 6.954 ( -10.460 -5.497 15.229) 19.276 7.023 ( 1.991 9.815 15.504) 18.457 7.279 ( 8.078 -10.594 7.866) 15.471 7.429 ( 0.855 3.837 -1.039) 4.066 7.534 ( -3.448 -8.450 -2.086) 9.362 7.668 ( 20.874 -1.837 -0.404) 20.959 7.707 ( 8.583 -5.268 1.863) 10.242 7.947 ( 12.680 3.687 3.253) 13.600 8.087 ( 6.268 -8.996 5.227) 12.146 8.321 ( 1.819 8.275 3.472) 9.156 8.532 ( 8.089 -12.170 5.739) 15.700 8.888 ( 7.544 5.956 -13.384) 16.478 8.977 ( 13.849 0.315 -14.211) 19.845 9.284 ( 5.741 5.082 2.197) 7.976 9.410 ( 6.198 -4.138 8.409) 11.236 9.755 ( 4.126 2.416 -0.555) 4.814 9.819 ( -0.370 -4.100 -5.538) 6.901 9.921 ( 5.419 0.907 -10.912) 12.218 9.948 ( 6.619 -1.509 -5.412) 8.682 10.225 ( -0.490 4.711 6.853) 8.331 10.268 ( 1.189 -0.053 3.571) 3.764 10.535 ( -4.880 3.689 -5.299) 8.094 10.613 ( 4.805 -2.100 -3.720) 6.429 10.665 ( 5.200 -1.678 8.613) 10.200 10.748 ( 9.445 -6.005 4.411) 12.030 10.910 ( -0.894 3.154 1.507) 3.609 10.990 ( 0.977 -3.429 1.131) 3.741 11.359 ( 0.590 0.261 -4.693) 4.738 11.449 ( 3.586 -7.428 0.088) 8.249 11.600 ( -10.570 6.937 -1.141) 12.695 11.757 ( -12.290 -7.100 -2.586) 14.427 11.949 ( -3.495 4.846 -0.170) 5.978 12.020 ( -5.441 -2.343 6.969) 9.146 12.053 ( -2.195 6.323 -0.582) 6.718 12.179 ( -3.435 -4.495 0.051) 5.658 12.629 ( 8.267 5.860 -1.439) 10.235 12.665 ( 9.140 0.390 -6.428) 11.181 12.783 ( 9.756 3.347 -3.604) 10.926 12.936 ( 9.245 -8.413 -3.220) 12.908 13.058 ( 4.357 5.254 -4.766) 8.325 13.175 ( 3.759 -4.304 -6.318) 8.519 13.522 ( 1.755 3.796 0.707) 4.242 13.631 ( 1.415 -6.798 3.962) 7.995 13.866 ( 3.913 7.068 -0.357) 8.087 13.889 ( 0.714 9.139 3.288) 9.739 14.026 ( 5.424 -1.737 5.537) 7.943 14.128 ( -0.357 -5.554 7.940) 9.696 14.568 ( 0.225 21.576 1.151) 21.608 14.860 ( 7.854 1.445 2.469) 8.358 14.961 ( -11.751 -0.803 -11.152) 16.220 15.187 ( -10.433 -12.803 3.295) 16.841 15.413 ( -3.033 1.429 -1.927) 3.867 15.454 ( -6.011 -1.654 0.392) 6.246 15.507 ( -4.025 -9.102 -1.163) 10.020 15.526 ( -14.430 -5.962 0.194) 15.615 16.066 ( 2.371 0.699 4.227) 4.897 16.130 ( 2.006 -4.956 0.783) 5.403 16.576 ( 1.454 2.028 -3.624) 4.400 16.625 ( 1.594 -2.341 -4.806) 5.579 16.851 ( -9.050 1.868 -9.952) 13.581 16.877 ( -10.172 -1.006 -15.572) 18.627 17.652 ( -20.384 13.365 13.120) 27.681 17.876 ( -25.441 -8.726 14.899) 30.746 20.104 ( -4.661 1.701 -0.703) 5.011 20.128 ( -3.665 -0.016 -0.250) 3.673 20.283 ( -4.828 2.752 0.179) 5.560 20.383 ( -5.039 -5.774 -1.944) 7.906 20.572 ( -1.743 1.978 4.193) 4.953 20.612 ( -2.921 -1.906 5.490) 6.505 20.715 ( 0.445 3.258 4.846) 5.856 20.780 ( -0.483 -2.530 5.968) 6.500 21.000 ( -1.919 6.280 -3.149) 7.283 21.130 ( -0.960 -5.844 -2.956) 6.619 21.356 ( -0.879 5.214 0.773) 5.344 21.390 ( -1.747 2.467 0.740) 3.112 21.492 ( 1.364 0.617 -1.836) 2.369 21.523 ( 0.326 -1.767 -1.775) 2.526 21.684 ( -4.670 2.350 2.709) 5.887 21.776 ( -4.319 -5.547 4.020) 8.099 21.916 ( 1.743 3.289 -2.832) 4.677 21.963 ( 0.063 -0.661 -6.000) 6.036 22.087 ( 1.155 1.411 0.136) 1.828 22.138 ( -1.601 -2.484 -0.826) 3.068 22.264 ( -2.032 6.689 2.108) 7.302 22.415 ( -9.588 -5.305 0.608) 10.974 22.444 ( -0.973 4.724 -1.063) 4.939 22.566 ( -4.453 -4.639 -0.958) 6.501 23.284 ( 4.423 -0.683 -2.797) 5.277 23.287 ( 4.206 -1.083 -2.875) 5.208 23.717 ( 1.897 6.621 2.860) 7.458 23.822 ( 3.996 -2.956 1.867) 5.309 24.371 ( 12.212 0.978 0.088) 12.251 24.428 ( 8.927 -3.929 1.697) 9.900 24.616 ( 1.821 2.315 0.913) 3.083 24.671 ( 1.579 -3.079 1.179) 3.656 24.958 ( 6.498 4.161 -3.404) 8.434 25.027 ( 5.782 -2.259 -2.962) 6.879 25.123 ( -1.162 2.936 2.985) 4.345 25.174 ( -1.296 -1.934 0.685) 2.427 25.469 ( 0.716 5.559 6.692) 8.729 25.545 ( 3.482 -0.193 -0.562) 3.532 25.716 ( 4.525 1.373 0.855) 4.805 25.815 ( 6.367 -5.628 -2.927) 8.987 26.119 ( 1.529 3.552 -0.658) 3.923 26.191 ( 1.719 -3.279 -3.138) 4.853 26.252 ( 1.313 4.422 -2.609) 5.300 26.302 ( 2.228 2.533 -3.433) 4.813 26.485 ( 2.633 0.439 -3.216) 4.179 26.510 ( 2.880 -3.053 -0.748) 4.263 26.555 ( -0.535 6.398 -2.635) 6.940 26.737 ( -1.103 -7.797 -0.291) 7.880 26.870 ( -1.776 1.994 4.580) 5.301 26.937 ( -3.385 -3.290 1.678) 5.010 26.990 ( -0.158 -0.446 0.731) 0.871 27.072 ( -0.789 -6.085 -3.778) 7.206 27.508 ( 3.487 1.212 14.362) 14.828 27.552 ( 3.143 -2.771 11.289) 12.042 27.995 ( 11.795 1.412 -9.133) 14.984 28.024 ( 11.060 -1.479 -9.523) 14.670 29.213 ( -7.543 1.450 9.007) 11.838 29.235 ( -5.484 -0.642 4.280) 6.986 29.527 ( -0.931 7.612 -6.937) 10.341 29.690 ( -1.860 -8.202 -8.839) 12.201 ======================= Grid point 129 (73/78) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -2.695 11.080 13.709) 17.831 1.581 ( -0.332 -11.419 10.795) 15.718 1.695 ( 0.169 11.414 -9.242) 14.688 1.922 ( 1.739 -9.578 -9.055) 13.295 2.171 ( 4.943 2.148 -0.190) 5.393 2.274 ( 2.558 -6.834 -2.331) 7.660 2.493 ( 1.808 3.825 -4.806) 6.403 2.593 ( -1.626 -5.487 -3.605) 6.764 2.931 ( 4.753 7.207 -0.988) 8.689 3.025 ( -2.035 2.815 1.997) 4.007 3.060 ( 6.114 -0.954 1.060) 6.278 3.126 ( -1.009 -2.553 2.622) 3.796 3.364 ( 5.028 3.729 1.433) 6.421 3.434 ( 6.625 -2.269 -1.468) 7.155 3.592 ( 3.497 6.084 0.824) 7.066 3.662 ( 3.568 -0.402 -3.045) 4.708 3.685 ( -4.019 1.533 2.815) 5.141 3.741 ( -3.544 -2.482 0.472) 4.352 3.978 ( -1.251 3.213 2.547) 4.286 4.012 ( -3.431 0.621 2.670) 4.392 4.232 ( -2.424 0.111 0.453) 2.468 4.282 ( -1.064 -1.084 -4.792) 5.027 4.343 ( 5.689 -2.980 2.051) 6.742 4.394 ( 3.612 -4.482 2.964) 6.475 5.067 ( 12.667 2.173 2.411) 13.076 5.112 ( 11.537 -1.504 0.024) 11.634 5.455 ( 5.229 11.728 2.384) 13.060 5.661 ( 0.326 -8.324 0.913) 8.380 6.188 ( 0.757 13.768 -1.449) 13.865 6.423 ( -9.029 -6.093 -2.510) 11.178 6.497 ( 11.171 4.719 -0.891) 12.160 6.599 ( 9.227 -5.172 -8.099) 13.323 6.754 ( -8.579 6.580 19.592) 22.377 6.890 ( -9.598 -4.001 17.004) 19.932 7.114 ( -9.062 8.061 16.837) 20.750 7.339 ( -10.443 -7.850 9.212) 15.986 7.442 ( 6.019 -2.836 0.485) 6.672 7.555 ( 3.223 -9.943 3.081) 10.897 7.778 ( -4.110 3.371 6.452) 8.360 7.873 ( 1.336 -4.752 5.098) 7.096 8.115 ( 3.125 2.852 -8.473) 9.470 8.236 ( 5.195 -7.960 0.239) 9.508 8.504 ( 17.696 11.041 -0.309) 20.860 8.756 ( 13.819 -11.118 -1.980) 17.846 8.877 ( 7.926 8.398 -13.136) 17.490 9.032 ( 11.646 -4.388 -13.636) 18.462 9.400 ( 2.096 6.114 0.471) 6.481 9.536 ( -2.194 -7.782 4.992) 9.502 9.671 ( -2.372 5.551 -12.131) 13.550 9.765 ( -0.481 -3.459 -8.781) 9.450 10.029 ( 12.940 -0.012 -5.266) 13.971 10.055 ( 11.324 -1.474 2.537) 11.698 10.196 ( 0.248 6.074 -5.811) 8.409 10.276 ( -3.281 -0.072 -3.825) 5.040 10.416 ( -8.727 7.370 0.869) 11.456 10.592 ( -3.442 -10.260 0.193) 10.824 10.771 ( 2.213 7.137 -2.015) 7.740 10.859 ( 6.779 0.009 0.416) 6.792 10.972 ( -4.465 -1.477 3.014) 5.586 11.045 ( 1.536 -6.912 6.104) 9.349 11.290 ( -1.243 -0.361 -4.676) 4.852 11.373 ( -5.134 -7.194 -10.124) 13.439 11.542 ( 0.569 2.253 4.865) 5.391 11.611 ( 0.435 -3.332 2.509) 4.194 11.862 ( -8.299 4.369 3.110) 9.881 11.966 ( -8.522 -5.660 5.580) 11.653 12.046 ( 3.040 5.555 -2.678) 6.875 12.126 ( -0.158 -1.418 -2.797) 3.140 12.712 ( 6.353 12.300 -3.094) 14.186 12.802 ( 7.050 9.997 -2.383) 12.463 12.917 ( 6.892 -2.667 0.500) 7.406 13.024 ( 6.870 -8.967 -2.534) 11.577 13.143 ( 7.254 1.942 -2.001) 7.771 13.251 ( 6.597 -5.895 -3.036) 9.354 13.571 ( 3.857 5.184 3.362) 7.283 13.697 ( 3.441 -6.734 2.134) 7.857 13.920 ( 3.516 5.898 1.221) 6.974 13.972 ( 4.109 1.504 2.187) 4.892 14.140 ( -4.214 -0.989 2.965) 5.247 14.176 ( -0.928 -2.677 3.354) 4.391 14.621 ( 5.491 17.072 1.878) 18.032 14.729 ( -1.744 5.209 -3.327) 6.422 14.926 ( 0.382 -5.325 -6.672) 8.545 15.034 ( -11.078 -8.929 4.192) 14.833 15.263 ( -15.057 1.534 1.987) 15.265 15.370 ( -0.998 -5.012 1.817) 5.424 15.401 ( -4.692 -4.848 4.604) 8.168 15.452 ( 0.830 -4.509 -4.623) 6.511 16.041 ( -7.873 0.027 -6.559) 10.248 16.087 ( -3.727 -4.927 -0.977) 6.255 16.444 ( 1.289 3.391 -11.720) 12.269 16.535 ( -1.133 -4.981 -7.732) 9.267 16.796 ( 3.085 5.088 5.262) 7.943 16.872 ( 6.566 -2.189 5.623) 8.917 17.390 ( -18.320 9.504 3.337) 20.907 17.544 ( -23.376 -5.527 4.898) 24.514 20.051 ( -1.841 2.774 2.385) 4.095 20.101 ( -0.866 -1.157 2.039) 2.499 20.220 ( -3.554 0.617 1.527) 3.917 20.289 ( -4.224 -4.921 -0.163) 6.487 20.589 ( -1.330 2.137 4.274) 4.961 20.624 ( -1.456 -1.252 3.694) 4.163 20.774 ( -1.086 4.451 7.886) 9.121 20.848 ( 0.528 -2.175 8.255) 8.553 20.960 ( 0.880 6.123 -2.390) 6.631 21.094 ( 0.041 -5.932 -2.264) 6.350 21.319 ( -3.606 4.982 0.734) 6.194 21.362 ( 0.331 0.577 -1.529) 1.667 21.459 ( -1.185 0.056 -5.770) 5.890 21.505 ( 0.776 -3.916 -6.587) 7.702 21.649 ( -2.537 1.656 3.319) 4.494 21.726 ( -3.796 -4.390 2.139) 6.185 21.904 ( 0.827 2.901 -3.263) 4.444 21.938 ( 3.437 0.465 -6.906) 7.728 22.071 ( -1.450 4.626 -0.681) 4.896 22.148 ( 1.215 -0.953 -0.604) 1.658 22.184 ( -4.816 1.756 -1.828) 5.443 22.240 ( -7.699 -4.564 -4.387) 9.967 22.444 ( 1.216 4.061 0.905) 4.335 22.538 ( -1.695 -4.093 1.192) 4.587 23.351 ( 4.927 1.285 1.581) 5.331 23.389 ( 5.589 -2.158 2.476) 6.483 23.760 ( -0.026 7.106 3.511) 7.926 23.872 ( 0.539 -3.457 0.569) 3.544 24.527 ( 4.598 0.216 3.059) 5.527 24.558 ( 3.471 -2.797 3.317) 5.556 24.684 ( 4.418 1.373 0.422) 4.645 24.730 ( 3.947 -3.015 0.328) 4.977 25.016 ( 4.100 3.798 -3.361) 6.522 25.080 ( 3.167 -2.148 -2.847) 4.770 25.126 ( -2.590 1.615 3.582) 4.706 25.149 ( -2.441 -0.439 2.184) 3.305 25.530 ( -0.519 4.213 5.377) 6.850 25.588 ( 1.308 -0.577 1.613) 2.155 25.769 ( 2.814 3.613 -3.047) 5.501 25.845 ( 2.099 -1.910 -4.820) 5.594 26.169 ( 3.536 1.374 0.727) 3.863 26.225 ( 4.891 -3.255 -1.501) 6.064 26.264 ( 1.840 3.464 -1.074) 4.067 26.312 ( 2.885 0.792 -3.933) 4.942 26.487 ( -0.697 4.482 -2.240) 5.059 26.516 ( 2.924 2.449 -4.067) 5.576 26.547 ( 0.437 0.316 -1.482) 1.577 26.676 ( -4.838 -5.687 -1.650) 7.647 26.856 ( -0.055 -0.185 -0.368) 0.416 26.898 ( -3.528 -5.557 1.699) 6.797 26.996 ( -0.646 -0.902 1.460) 1.834 27.036 ( -1.578 -4.589 -0.080) 4.854 27.694 ( 0.251 -0.084 16.637) 16.639 27.706 ( 0.962 -1.108 13.743) 13.821 28.088 ( 9.492 0.746 -10.466) 14.149 28.107 ( 9.886 -1.170 -11.059) 14.880 29.169 ( -7.891 1.420 9.556) 12.474 29.194 ( -6.358 -1.001 8.343) 10.538 29.457 ( 2.702 5.780 -10.776) 12.523 29.573 ( 0.351 -5.461 -12.224) 13.393 ======================= Grid point 130 (74/78) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -5.850 12.998 12.590) 19.018 1.598 ( 1.321 5.387 -7.319) 9.183 1.675 ( -3.272 -5.600 9.069) 11.150 1.874 ( 1.933 -11.425 -8.965) 14.650 2.258 ( 1.763 -1.546 2.251) 3.251 2.288 ( -2.287 -4.519 -0.332) 5.075 2.491 ( 5.240 -1.650 -5.209) 7.571 2.493 ( -0.310 -1.588 -4.959) 5.217 2.997 ( -2.759 5.285 2.033) 6.299 3.013 ( 1.837 4.164 0.728) 4.609 3.130 ( -1.020 -1.037 1.746) 2.272 3.143 ( 1.156 -1.771 0.755) 2.246 3.450 ( 1.970 3.392 1.486) 4.195 3.490 ( -0.145 0.169 -2.131) 2.142 3.604 ( -2.870 4.966 1.848) 6.026 3.646 ( 2.341 0.450 -0.369) 2.413 3.662 ( -1.777 1.132 0.943) 2.308 3.715 ( 1.168 -2.444 -2.842) 3.927 3.978 ( -1.556 2.047 2.996) 3.948 4.007 ( 1.157 0.572 0.403) 1.352 4.181 ( -3.434 0.472 2.410) 4.222 4.244 ( 1.048 -3.932 -3.271) 5.221 4.418 ( 0.350 -0.156 2.201) 2.235 4.450 ( 1.125 -2.647 -0.672) 2.954 5.210 ( -1.011 2.295 3.257) 4.111 5.271 ( 6.122 -2.476 -2.791) 7.169 5.530 ( -3.748 3.852 6.624) 8.530 5.633 ( 0.110 -5.093 -2.539) 5.691 6.214 ( 1.544 6.642 1.461) 6.974 6.267 ( -4.164 2.487 -2.903) 5.653 6.515 ( -10.034 4.811 3.820) 11.765 6.583 ( 1.018 -1.713 -1.815) 2.696 6.987 ( -6.743 5.418 15.695) 17.921 7.070 ( 17.101 -0.329 7.479) 18.668 7.192 ( 1.494 -1.067 22.366) 22.441 7.258 ( -11.015 -6.276 13.639) 18.621 7.553 ( 6.149 -2.452 -0.579) 6.645 7.626 ( -2.210 -6.694 4.995) 8.639 7.721 ( 2.954 4.092 -12.748) 13.711 7.887 ( 3.108 -10.163 -11.829) 15.902 8.058 ( -2.968 8.409 11.766) 14.764 8.240 ( -1.464 -9.322 3.305) 9.998 8.612 ( 0.766 13.563 -10.599) 17.231 8.747 ( 4.416 1.960 -17.282) 17.945 9.153 ( 21.903 4.609 -3.322) 22.627 9.178 ( -22.231 3.577 -3.886) 22.849 9.249 ( 3.736 -3.906 2.610) 6.002 9.358 ( 0.915 -10.958 -6.330) 12.688 9.615 ( 0.790 -0.549 -2.725) 2.890 9.681 ( -1.433 -5.397 -8.629) 10.278 10.050 ( -9.652 5.937 2.855) 11.686 10.111 ( -8.901 -0.230 -0.988) 8.958 10.171 ( 1.774 6.714 3.644) 7.842 10.279 ( 8.767 3.511 -8.848) 12.942 10.390 ( 2.290 -6.553 0.625) 6.969 10.484 ( 1.252 -9.130 -8.351) 12.436 10.835 ( 1.378 7.812 6.101) 10.007 10.872 ( -5.913 2.140 1.656) 6.503 10.981 ( 3.479 -3.398 2.325) 5.391 11.057 ( 0.607 -8.646 -2.957) 9.158 11.243 ( -1.175 -0.245 0.270) 1.231 11.269 ( -1.466 -2.737 -1.260) 3.351 11.628 ( 1.970 2.025 2.603) 3.842 11.665 ( 0.568 -1.076 -0.972) 1.557 11.797 ( -1.988 1.100 8.623) 8.917 11.869 ( -5.830 -5.234 4.145) 8.864 12.080 ( 5.073 3.332 -6.195) 8.673 12.106 ( 2.413 1.200 -6.772) 7.289 12.782 ( 2.687 15.207 -0.535) 15.452 12.789 ( -5.386 12.818 -1.816) 14.022 12.986 ( -1.675 -4.583 3.192) 5.830 13.080 ( 3.177 -9.024 -4.942) 10.768 13.240 ( 0.425 -0.225 2.367) 2.416 13.294 ( 3.020 -4.886 -3.254) 6.602 13.695 ( 1.621 4.039 4.149) 6.013 13.755 ( 0.851 -1.689 -2.013) 2.762 13.989 ( -0.183 3.561 3.237) 4.816 14.021 ( -2.189 1.622 0.037) 2.724 14.067 ( -0.040 -2.620 1.904) 3.239 14.092 ( -2.703 -3.001 0.313) 4.051 14.719 ( 0.432 7.329 -0.629) 7.369 14.758 ( -1.745 4.783 -3.208) 6.018 14.868 ( -14.379 -0.069 6.976) 15.982 14.950 ( 17.076 -3.069 -0.413) 17.354 15.174 ( 3.287 0.608 3.628) 4.933 15.294 ( -4.452 -0.739 -5.700) 7.271 15.416 ( 3.649 -6.801 0.607) 7.742 15.446 ( -1.303 -6.071 -1.661) 6.428 15.907 ( -1.511 -0.786 1.764) 2.452 15.983 ( -3.696 -8.754 -2.637) 9.862 16.416 ( -2.887 2.077 -5.553) 6.594 16.438 ( 3.770 -0.427 -6.849) 7.830 17.001 ( 9.476 5.871 8.553) 14.050 17.091 ( 4.787 -1.571 4.517) 6.766 17.154 ( -3.579 4.003 0.199) 5.373 17.238 ( -8.708 -2.733 -3.267) 9.694 20.079 ( 1.181 2.890 3.242) 4.502 20.113 ( -0.159 1.180 0.371) 1.247 20.201 ( -0.295 -2.075 2.427) 3.207 20.241 ( -0.746 -4.362 -0.966) 4.529 20.608 ( -0.652 2.089 3.566) 4.184 20.633 ( -0.193 -0.227 1.437) 1.468 20.831 ( -0.894 5.271 7.604) 9.295 20.917 ( 1.081 -0.950 0.996) 1.750 21.007 ( 2.370 2.345 5.921) 6.795 21.090 ( 0.598 -3.748 -0.561) 3.836 21.278 ( -0.177 3.252 -0.882) 3.374 21.343 ( -2.386 -2.191 -6.961) 7.678 21.377 ( 0.135 1.194 -1.463) 1.893 21.429 ( -0.943 -3.480 -6.116) 7.100 21.643 ( -3.460 2.793 4.874) 6.598 21.712 ( 0.970 -2.964 -0.354) 3.139 21.885 ( 0.488 3.043 -3.228) 4.463 21.935 ( 3.895 -1.159 -5.810) 7.090 22.048 ( 0.655 3.889 -0.158) 3.947 22.087 ( -2.981 1.565 -3.156) 4.615 22.138 ( -0.869 -0.357 1.300) 1.604 22.166 ( 0.540 -3.103 -1.471) 3.476 22.487 ( 2.143 -0.356 1.275) 2.519 22.508 ( -1.663 -2.135 -0.657) 2.785 23.445 ( 2.605 1.794 1.820) 3.649 23.464 ( 0.733 0.112 0.225) 0.775 23.800 ( 0.487 3.347 4.393) 5.544 23.856 ( -1.825 -1.727 -1.097) 2.742 24.605 ( 0.363 -0.570 4.103) 4.158 24.612 ( -1.353 -1.492 3.559) 4.089 24.739 ( 1.948 1.022 -0.503) 2.256 24.768 ( 1.179 -1.677 -2.846) 3.507 25.036 ( 0.028 0.442 -0.176) 0.477 25.044 ( -4.028 0.097 -0.744) 4.097 25.139 ( 0.882 0.417 1.172) 1.525 25.144 ( 0.186 -0.153 0.834) 0.868 25.557 ( -2.590 5.082 5.854) 8.174 25.624 ( 0.630 -0.524 2.134) 2.286 25.766 ( 1.269 2.755 -3.692) 4.778 25.817 ( 1.212 -1.257 -5.834) 6.090 26.226 ( 0.988 2.485 1.809) 3.229 26.262 ( -1.406 3.039 -0.999) 3.494 26.290 ( 1.382 -3.444 -1.362) 3.953 26.315 ( 1.380 -0.909 -2.643) 3.117 26.447 ( -1.823 6.288 0.428) 6.560 26.501 ( 0.215 4.144 -4.777) 6.327 26.562 ( 1.655 -3.037 -0.048) 3.459 26.575 ( -2.252 -2.106 -1.906) 3.625 26.859 ( -2.309 -4.307 1.477) 5.105 26.868 ( 0.164 -4.869 0.570) 4.905 27.004 ( 0.319 -1.196 1.268) 1.772 27.024 ( 1.470 -2.723 -0.984) 3.247 27.822 ( -3.136 0.030 14.957) 15.283 27.835 ( -2.913 -1.256 14.402) 14.747 28.097 ( 4.940 1.175 -13.210) 14.152 28.128 ( 6.349 -1.865 -14.110) 15.585 29.135 ( -8.452 2.571 12.145) 15.018 29.185 ( -6.543 -2.202 12.414) 14.205 29.415 ( 5.352 3.662 -11.417) 13.131 29.484 ( 4.213 -2.984 -13.059) 14.043 ======================= Grid point 131 (75/78) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -2.642 11.858 14.494) 18.912 1.568 ( 2.521 11.243 -7.927) 13.986 1.682 ( -4.493 -11.132 9.594) 15.367 1.806 ( -1.851 -10.956 -5.494) 12.395 2.195 ( -5.755 -1.411 -0.910) 5.995 2.229 ( -3.044 -4.452 -0.459) 5.413 2.490 ( 1.936 3.996 -4.110) 6.050 2.588 ( 6.283 -5.356 -3.484) 8.961 2.917 ( -6.444 6.999 1.385) 9.614 3.026 ( -2.579 -2.068 1.436) 3.604 3.079 ( -3.725 3.842 -0.350) 5.363 3.154 ( -0.461 -2.307 -0.074) 2.354 3.401 ( -5.682 2.240 -1.533) 6.297 3.421 ( -5.579 -0.146 -0.406) 5.595 3.594 ( -2.713 3.417 0.986) 4.473 3.614 ( -4.208 1.702 1.253) 4.709 3.731 ( 3.757 0.501 -1.040) 3.931 3.746 ( 7.111 -0.799 -0.854) 7.206 3.991 ( 0.087 4.351 1.222) 4.520 4.039 ( 1.918 2.746 0.835) 3.451 4.174 ( -1.982 -2.150 5.036) 5.823 4.246 ( 0.984 -5.933 -0.642) 6.048 4.390 ( -3.364 2.206 -2.240) 4.605 4.436 ( -1.087 -1.589 -1.827) 2.654 5.079 ( -14.913 4.296 -1.400) 15.583 5.212 ( -7.050 -5.895 -7.259) 11.711 5.445 ( -8.530 7.337 4.789) 12.228 5.651 ( -0.014 -9.930 1.941) 10.118 6.158 ( -4.443 7.745 2.318) 9.225 6.269 ( -8.754 -2.769 8.583) 12.569 6.451 ( -5.117 6.244 2.805) 8.547 6.518 ( -4.962 0.516 3.556) 6.126 7.012 ( 5.473 4.873 -4.477) 8.587 7.131 ( -2.122 -5.736 -1.969) 6.425 7.308 ( -0.079 6.051 7.824) 9.891 7.411 ( -3.279 0.994 2.806) 4.428 7.503 ( 2.542 -5.041 -0.477) 5.666 7.592 ( -4.019 -9.991 -3.026) 11.186 7.746 ( -2.026 -0.549 -13.442) 13.605 7.798 ( 8.856 -4.360 -5.770) 11.433 8.288 ( 9.250 7.168 9.431) 15.030 8.377 ( 2.050 3.675 -9.369) 10.271 8.449 ( -1.487 7.978 10.339) 13.144 8.668 ( -13.342 -6.520 -4.421) 15.494 8.730 ( -4.323 4.658 -4.704) 7.906 8.930 ( -16.810 -11.042 -1.155) 20.146 9.428 ( -5.178 9.827 -4.293) 11.908 9.530 ( 2.525 1.172 0.133) 2.787 9.564 ( -5.072 -5.144 7.244) 10.230 9.651 ( 9.686 -11.547 -5.481) 16.037 9.912 ( -10.630 0.646 4.740) 11.657 9.994 ( -8.892 -3.837 8.535) 12.909 10.137 ( -2.554 6.842 -2.525) 7.727 10.287 ( 6.039 -7.022 -4.113) 10.134 10.435 ( 10.131 7.945 -2.465) 13.109 10.571 ( 4.666 -4.413 1.198) 6.533 10.784 ( -5.041 1.373 -1.073) 5.333 10.867 ( -7.080 -4.658 3.669) 9.235 10.996 ( 4.363 6.085 0.189) 7.490 11.127 ( 3.602 -4.811 -1.786) 6.270 11.220 ( -2.264 -0.687 0.580) 2.436 11.258 ( -0.751 -5.163 1.758) 5.505 11.606 ( -1.669 2.702 -0.521) 3.218 11.639 ( -0.907 -0.277 -0.733) 1.198 11.896 ( 3.314 3.571 3.752) 6.149 11.946 ( 5.419 -1.203 7.591) 9.404 12.073 ( 2.551 0.519 -6.976) 7.445 12.104 ( 5.252 -1.608 -4.651) 7.197 12.641 ( -9.865 12.907 1.847) 16.350 12.761 ( -7.213 10.736 1.765) 13.054 12.928 ( -7.223 -7.929 1.165) 10.788 13.016 ( -5.241 -8.356 -3.629) 10.510 13.174 ( -6.844 2.742 -2.440) 7.766 13.252 ( -5.632 -3.626 -2.696) 7.221 13.603 ( -7.360 4.106 -0.910) 8.477 13.712 ( -4.537 -5.821 -0.421) 7.393 13.941 ( -4.357 5.574 1.539) 7.240 14.004 ( -1.769 2.035 0.991) 2.873 14.146 ( 7.783 -0.419 1.345) 7.909 14.195 ( 5.015 -2.567 1.136) 5.747 14.660 ( -7.013 22.405 -0.500) 23.482 14.682 ( -0.451 4.546 -1.585) 4.836 14.804 ( 0.056 -5.992 5.054) 7.839 15.171 ( 7.252 -14.056 -7.725) 17.602 15.289 ( 5.485 -0.305 2.027) 5.855 15.323 ( 10.985 -3.933 1.007) 11.711 15.402 ( 2.175 0.507 -1.527) 2.705 15.506 ( 5.863 -7.460 -1.159) 9.559 15.962 ( 2.839 -2.463 1.710) 4.129 15.995 ( 3.826 -5.970 7.723) 10.485 16.323 ( -0.809 6.713 -1.419) 6.909 16.471 ( 3.743 -7.414 -1.695) 8.477 16.897 ( -8.712 5.590 -4.238) 11.185 16.970 ( -9.565 -1.439 -3.916) 10.435 17.393 ( 22.348 10.308 2.950) 24.787 17.563 ( 27.186 -6.346 2.967) 28.074 20.100 ( 0.592 3.144 -2.151) 3.855 20.124 ( 1.330 1.765 0.404) 2.247 20.242 ( 2.077 -3.419 -0.485) 4.030 20.257 ( 3.235 -3.969 2.024) 5.506 20.641 ( 1.096 1.188 2.082) 2.635 20.647 ( 1.198 0.754 -0.440) 1.482 20.882 ( 0.086 5.355 3.881) 6.614 20.926 ( 2.147 2.380 -4.066) 5.178 21.032 ( -3.146 0.887 -5.889) 6.736 21.082 ( -0.689 -4.477 -0.216) 4.535 21.269 ( 0.960 1.395 1.915) 2.556 21.331 ( 3.377 -3.846 4.037) 6.518 21.364 ( -1.579 0.931 -0.301) 1.858 21.399 ( 1.078 -1.962 1.790) 2.866 21.646 ( -0.111 4.776 3.311) 5.813 21.733 ( 0.655 -2.781 1.647) 3.298 21.882 ( 3.232 5.044 -3.372) 6.874 21.952 ( 3.804 -1.839 -4.959) 6.515 22.047 ( 0.654 4.218 0.809) 4.344 22.129 ( 4.194 2.689 2.537) 5.590 22.148 ( 1.011 -3.852 0.528) 4.017 22.186 ( 4.362 -3.008 0.306) 5.307 22.470 ( -0.843 2.000 -1.665) 2.736 22.544 ( 2.783 -4.312 0.501) 5.157 23.402 ( -4.825 2.563 -2.697) 6.093 23.450 ( -2.944 -1.804 -2.853) 4.479 23.808 ( -1.946 2.994 -1.315) 3.805 23.844 ( -0.724 -0.370 3.464) 3.558 24.558 ( -7.967 0.610 1.061) 8.060 24.596 ( -4.595 -2.648 0.990) 5.395 24.717 ( -1.677 1.448 -4.101) 4.661 24.754 ( 0.255 -1.924 -2.216) 2.946 24.957 ( -5.515 2.921 1.208) 6.356 25.012 ( -4.944 -2.235 3.596) 6.509 25.164 ( 0.783 0.162 0.691) 1.057 25.166 ( 1.420 -0.330 0.075) 1.460 25.552 ( -4.379 6.409 4.949) 9.206 25.637 ( 0.032 -0.354 -1.222) 1.273 25.756 ( -0.423 0.421 0.029) 0.598 25.788 ( 1.257 -1.449 -4.327) 4.733 26.183 ( -4.982 1.472 -1.076) 5.305 26.223 ( -4.900 -1.419 -0.331) 5.112 26.248 ( -0.991 2.454 0.525) 2.698 26.282 ( -3.236 0.553 -1.754) 3.723 26.437 ( -2.303 3.432 2.576) 4.870 26.471 ( -0.087 4.916 -0.691) 4.965 26.538 ( 1.071 -0.073 -0.704) 1.284 26.650 ( 5.380 -6.747 0.844) 8.670 26.838 ( -1.106 -1.573 1.338) 2.343 26.888 ( 1.090 -6.439 2.123) 6.867 27.023 ( 1.823 0.754 -1.493) 2.474 27.068 ( 3.815 -3.652 -1.467) 5.481 27.863 ( -8.665 -0.306 13.241) 15.827 27.868 ( -7.693 -0.736 11.508) 13.862 28.008 ( 1.726 1.452 -16.089) 16.246 28.044 ( 2.306 -2.162 -18.115) 18.389 29.113 ( -9.006 4.070 13.767) 16.947 29.201 ( -6.433 -4.538 13.211) 15.379 29.433 ( 8.083 3.334 -8.224) 12.004 29.488 ( 9.026 -1.866 -8.718) 12.687 ======================= Grid point 132 (76/78) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.432 7.017 -8.558) 11.159 1.574 ( -0.302 11.452 13.174) 17.458 1.651 ( -2.925 -8.981 -8.655) 12.811 1.815 ( 1.880 -8.836 11.381) 14.531 2.124 ( -0.229 4.997 -1.460) 5.211 2.229 ( 1.473 -4.031 4.317) 6.088 2.374 ( -10.970 8.707 -1.408) 14.076 2.555 ( -6.236 -8.072 -3.035) 10.642 2.841 ( -4.823 6.082 0.535) 7.781 2.946 ( -6.985 -2.473 -0.580) 7.433 3.056 ( -0.175 5.166 1.366) 5.347 3.163 ( 1.694 -3.174 1.228) 3.802 3.268 ( -9.232 2.067 0.051) 9.460 3.306 ( -7.322 -1.557 0.154) 7.488 3.496 ( -8.944 0.920 -0.580) 9.010 3.521 ( -7.154 -1.298 -0.332) 7.279 3.787 ( 4.233 5.700 -2.636) 7.573 3.848 ( 5.165 -0.682 -1.840) 5.525 3.938 ( -9.020 11.128 2.771) 14.590 4.100 ( 3.802 3.818 -0.117) 5.389 4.187 ( -4.058 -8.177 5.358) 10.585 4.232 ( -3.064 -4.431 -1.707) 5.651 4.307 ( -2.331 2.533 -2.741) 4.400 4.369 ( -2.427 -2.781 -2.659) 4.549 4.785 ( -15.380 8.224 1.800) 17.533 4.961 ( -11.784 -7.775 -6.364) 15.486 5.364 ( -5.279 11.518 0.292) 12.673 5.637 ( -3.603 -13.743 -0.265) 14.210 6.013 ( -15.420 6.407 7.016) 18.113 6.133 ( -20.418 -4.770 13.864) 25.137 6.403 ( 2.721 11.993 7.617) 14.466 6.606 ( 6.594 -6.513 1.110) 9.334 7.017 ( -0.778 3.762 -2.761) 4.731 7.120 ( -3.394 -5.120 -0.977) 6.220 7.308 ( -4.564 4.531 -9.650) 11.597 7.320 ( -5.303 8.304 0.819) 9.887 7.481 ( -3.972 -4.922 1.209) 6.439 7.518 ( -0.580 -7.893 -7.005) 10.569 7.622 ( 0.080 0.485 -5.877) 5.898 7.752 ( -5.156 -8.558 -5.461) 11.386 8.137 ( -11.176 2.503 -9.279) 14.740 8.154 ( -14.637 2.906 1.047) 14.959 8.542 ( 4.690 0.386 -11.724) 12.633 8.618 ( -7.936 -3.436 3.361) 9.278 8.768 ( 2.199 1.560 2.165) 3.457 8.823 ( 4.640 -1.192 -4.192) 6.365 9.226 ( -6.424 9.731 5.806) 13.026 9.431 ( -8.684 -9.262 3.515) 13.174 9.599 ( -1.671 -0.794 10.002) 10.171 9.673 ( -3.417 -5.371 0.202) 6.369 9.861 ( 0.023 -0.985 0.619) 1.164 9.941 ( -0.408 -6.590 -2.831) 7.184 10.216 ( 6.205 7.929 5.014) 11.248 10.347 ( 2.008 -4.846 -1.503) 5.456 10.531 ( -0.484 5.381 -1.888) 5.723 10.603 ( -8.907 -0.128 -3.886) 9.718 10.704 ( 4.392 5.484 4.862) 8.544 10.802 ( -2.770 -4.464 -1.898) 5.586 11.002 ( -3.178 -2.577 -2.951) 5.044 11.031 ( -5.806 -5.159 -6.194) 9.935 11.256 ( 1.934 1.486 4.921) 5.492 11.330 ( 2.434 -4.416 8.950) 10.273 11.637 ( 5.604 2.308 -3.467) 6.982 11.671 ( 7.471 0.225 4.025) 8.489 11.953 ( 1.065 6.975 -0.667) 7.087 12.063 ( 1.392 -1.591 -1.348) 2.507 12.079 ( 5.514 4.889 1.891) 7.609 12.226 ( 8.476 -6.649 -0.476) 10.784 12.514 ( -10.226 7.830 7.078) 14.696 12.587 ( -12.226 6.098 -0.126) 13.663 12.787 ( -8.188 -6.346 -1.901) 10.533 12.867 ( -9.934 -8.702 -0.103) 13.206 13.030 ( -5.584 2.607 -0.435) 6.178 13.100 ( -8.987 -3.286 1.646) 9.709 13.510 ( -3.272 7.057 1.434) 7.909 13.679 ( -0.064 -7.513 -0.914) 7.569 13.900 ( -1.070 4.152 -3.245) 5.377 13.943 ( -1.095 2.486 -2.552) 3.727 14.112 ( -9.176 6.904 -2.177) 11.688 14.293 ( 4.532 -4.039 -5.774) 8.378 14.612 ( -0.087 21.770 -2.634) 21.929 14.735 ( 6.161 4.906 7.001) 10.537 14.855 ( 1.273 -2.038 3.126) 3.943 15.263 ( 9.594 -21.202 -3.661) 23.558 15.345 ( 1.818 4.395 3.826) 6.104 15.442 ( 2.387 -5.399 0.544) 5.928 15.534 ( 11.464 -1.142 -0.852) 11.552 15.591 ( 8.157 -8.728 -5.659) 13.219 16.042 ( -1.245 1.618 5.706) 6.060 16.096 ( -0.530 -4.835 4.150) 6.393 16.444 ( 12.675 3.598 5.572) 14.305 16.563 ( 7.607 -7.546 0.662) 10.736 16.739 ( -6.538 3.961 -0.072) 7.645 16.792 ( -6.573 -0.829 -1.635) 6.824 17.814 ( 25.451 14.996 -3.097) 29.703 18.059 ( 29.551 -9.201 -3.512) 31.149 20.106 ( 2.021 2.628 -1.067) 3.483 20.143 ( 2.352 0.304 -1.469) 2.790 20.284 ( 2.790 -0.742 0.180) 2.893 20.340 ( 3.354 -4.840 2.026) 6.227 20.650 ( 1.005 1.823 -2.783) 3.475 20.675 ( 1.543 -0.751 -0.460) 1.777 20.865 ( -2.026 3.807 -9.209) 10.169 20.901 ( -1.936 3.104 -3.675) 5.185 20.941 ( 2.097 3.469 1.373) 4.280 21.082 ( 0.994 -8.043 1.997) 8.346 21.338 ( 0.019 3.471 1.600) 3.822 21.357 ( 2.613 1.521 5.806) 6.546 21.439 ( 0.996 -1.251 2.000) 2.561 21.466 ( 4.954 -3.793 2.841) 6.856 21.705 ( 4.175 4.081 1.258) 5.972 21.761 ( -0.213 -0.130 2.287) 2.301 21.920 ( 4.252 3.896 -3.168) 6.580 21.975 ( 4.210 -2.032 -3.265) 5.702 22.074 ( 1.076 2.838 1.104) 3.230 22.159 ( 2.910 -3.132 -3.430) 5.481 22.245 ( 6.210 5.264 3.367) 8.810 22.356 ( 10.618 -3.655 5.120) 12.342 22.452 ( 1.344 4.137 -1.963) 4.773 22.581 ( 2.098 -5.927 -1.547) 6.475 23.282 ( -5.416 0.500 -2.205) 5.869 23.315 ( -7.142 -2.399 -4.809) 8.938 23.754 ( -4.098 5.120 -0.906) 6.620 23.822 ( -4.925 -1.228 1.644) 5.336 24.366 ( -14.935 3.823 0.342) 15.420 24.474 ( -8.789 -5.746 -1.867) 10.665 24.648 ( -1.768 2.590 -3.151) 4.446 24.713 ( -0.845 -3.778 -3.753) 5.392 24.881 ( -6.996 3.554 3.856) 8.743 24.947 ( -7.600 -2.503 4.943) 9.405 25.161 ( -1.438 1.105 0.404) 1.857 25.184 ( -0.184 -0.871 -0.054) 0.892 25.500 ( -6.480 6.815 3.546) 10.050 25.602 ( -0.799 -0.457 -4.147) 4.248 25.733 ( -4.126 -2.173 2.135) 5.129 25.764 ( -0.801 -3.098 -2.596) 4.121 26.105 ( -2.668 1.758 0.291) 3.208 26.155 ( -2.122 -2.833 -0.023) 3.539 26.222 ( -2.225 4.251 1.728) 5.100 26.241 ( -0.685 3.297 1.059) 3.530 26.413 ( -3.322 2.758 3.232) 5.394 26.479 ( -0.110 0.555 1.204) 1.330 26.546 ( 0.398 2.378 -0.919) 2.581 26.730 ( 2.570 -10.122 0.426) 10.452 26.865 ( 2.410 2.034 2.353) 3.935 26.952 ( 3.135 -6.066 2.912) 7.424 27.017 ( -0.137 2.292 -3.521) 4.203 27.093 ( 1.597 -4.996 -3.774) 6.462 27.762 ( -12.287 0.414 2.534) 12.552 27.781 ( -11.450 -1.276 1.577) 11.628 27.888 ( -1.026 0.284 -8.606) 8.671 27.897 ( 0.775 -0.586 -12.695) 12.733 29.100 ( -8.571 5.703 14.940) 18.143 29.224 ( -4.784 -6.587 11.872) 14.395 29.526 ( 10.190 4.477 -5.490) 12.410 29.610 ( 11.535 -3.297 -3.870) 12.605 ======================= Grid point 133 (77/78) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.024 5.788 -11.240) 12.643 1.511 ( -1.834 -9.342 -9.248) 13.272 1.701 ( -0.020 13.393 12.612) 18.396 1.953 ( 2.604 -8.787 7.052) 11.564 2.044 ( -10.277 11.014 -4.693) 15.778 2.259 ( -2.589 -5.167 -7.741) 9.660 2.312 ( -1.400 7.348 15.320) 17.049 2.455 ( -1.533 -4.252 8.348) 9.493 2.706 ( -10.141 7.090 0.586) 12.387 2.835 ( -4.151 -2.100 -1.696) 4.952 2.998 ( -13.626 6.114 4.740) 15.669 3.104 ( -5.075 4.925 0.161) 7.074 3.159 ( -13.708 -3.262 6.510) 15.522 3.242 ( 2.259 -6.934 0.709) 7.327 3.303 ( -9.704 4.707 -1.125) 10.844 3.406 ( -4.829 -4.806 -1.878) 7.067 3.783 ( -3.747 3.231 -2.377) 5.489 3.789 ( -8.343 9.891 3.735) 13.468 3.891 ( -1.607 4.910 1.965) 5.528 4.035 ( -7.481 1.645 -6.452) 10.015 4.068 ( -4.755 -0.283 -7.442) 8.836 4.162 ( -3.200 -11.901 2.663) 12.608 4.309 ( 2.067 6.437 7.189) 9.869 4.416 ( 3.464 -3.706 3.510) 6.169 4.658 ( -4.674 5.922 4.433) 8.751 4.750 ( -7.157 -3.257 -3.330) 8.539 5.228 ( -6.842 11.097 -7.092) 14.841 5.492 ( -8.441 -13.393 -7.026) 17.320 5.937 ( -6.992 3.820 18.907) 20.517 6.028 ( -9.605 -4.169 21.251) 23.691 6.430 ( -17.980 10.142 12.212) 23.985 6.694 ( -15.215 -13.559 10.336) 22.851 6.866 ( -9.457 4.731 -1.984) 10.759 6.919 ( -7.283 0.010 -8.121) 10.908 7.117 ( -12.049 7.106 1.143) 14.036 7.198 ( -2.005 -0.366 -3.850) 4.356 7.346 ( -10.649 1.189 -5.267) 11.940 7.432 ( 7.178 -3.037 -15.002) 16.906 7.652 ( 3.809 -3.866 -4.384) 6.976 7.723 ( 9.092 -5.052 -4.397) 11.293 7.865 ( -4.415 4.910 -10.100) 12.067 8.015 ( -6.038 -5.398 2.450) 8.462 8.443 ( -6.336 -2.063 2.308) 7.051 8.512 ( -7.298 -6.801 4.368) 10.890 8.824 ( 11.323 5.759 -13.599) 18.609 8.840 ( 9.901 3.675 -10.844) 15.137 9.213 ( -5.381 5.526 -0.943) 7.771 9.374 ( -5.218 -7.182 -2.818) 9.314 9.627 ( -1.942 2.474 8.950) 9.487 9.697 ( -0.641 -3.102 8.083) 8.681 9.855 ( 1.035 -2.417 -1.655) 3.106 9.935 ( 2.705 -4.339 -3.862) 6.408 10.272 ( -6.490 -0.287 -8.741) 10.891 10.290 ( -3.356 -1.453 -4.386) 5.710 10.421 ( -8.305 5.973 1.731) 10.375 10.528 ( 4.171 4.235 5.994) 8.442 10.637 ( -9.144 -3.376 -9.044) 13.297 10.776 ( 3.022 -5.828 -3.500) 7.440 10.941 ( 2.356 -0.702 0.162) 2.464 10.989 ( 1.760 -3.802 2.079) 4.677 11.303 ( -1.164 0.356 2.867) 3.115 11.373 ( -3.975 -5.054 2.167) 6.785 11.780 ( 9.665 6.327 0.371) 11.557 11.890 ( 5.131 -3.378 2.260) 6.546 11.992 ( 6.232 6.755 6.122) 11.043 12.083 ( -0.800 8.371 -3.831) 9.241 12.131 ( 2.415 -3.828 1.097) 4.657 12.267 ( 0.136 -5.505 -10.760) 12.088 12.386 ( -7.911 2.591 6.166) 10.359 12.485 ( -7.042 2.354 12.580) 14.608 12.614 ( -9.061 -3.924 -4.239) 10.745 12.704 ( -8.552 -5.790 4.228) 11.160 13.017 ( -0.750 2.345 6.044) 6.526 13.083 ( 2.261 -3.767 9.302) 10.287 13.492 ( -0.085 8.540 -1.558) 8.681 13.656 ( -0.253 -5.731 -4.135) 7.072 13.809 ( -3.808 4.046 -3.555) 6.596 13.932 ( -6.116 -4.914 0.168) 7.848 13.961 ( 0.934 16.418 -2.275) 16.601 14.246 ( 1.366 -6.786 -10.062) 12.213 14.575 ( -0.966 22.055 -2.073) 22.173 14.810 ( 1.867 -0.862 -2.569) 3.291 15.029 ( 8.484 3.284 8.015) 12.124 15.344 ( 2.995 -14.954 -1.331) 15.309 15.455 ( 5.291 1.993 1.829) 5.943 15.510 ( 3.701 -7.548 0.421) 8.417 15.639 ( 6.112 -2.647 -1.706) 6.875 15.743 ( 10.981 -6.314 -0.431) 12.674 16.030 ( -3.515 0.959 1.998) 4.156 16.086 ( -2.043 -6.680 1.453) 7.135 16.513 ( -6.380 2.860 -3.187) 7.684 16.564 ( -5.109 -2.086 -3.052) 6.307 16.899 ( 11.508 0.323 13.066) 17.414 16.918 ( 14.759 -1.477 18.504) 23.715 18.137 ( 19.866 17.985 -12.072) 29.392 18.436 ( 22.345 -11.571 -12.170) 27.951 20.143 ( 1.997 3.021 1.722) 4.010 20.198 ( 4.144 -1.763 0.979) 4.608 20.332 ( 1.734 0.647 1.190) 2.201 20.375 ( -2.536 -2.483 2.857) 4.556 20.652 ( 3.248 2.745 -2.945) 5.173 20.707 ( 3.473 -2.190 -0.296) 4.116 20.767 ( 0.667 2.656 -6.171) 6.751 20.828 ( -1.535 -2.537 -4.756) 5.605 21.010 ( 2.402 5.877 2.928) 6.992 21.135 ( 1.863 -6.104 1.335) 6.520 21.354 ( -0.937 4.433 -1.001) 4.640 21.407 ( -1.846 -0.901 -0.209) 2.065 21.473 ( 3.310 4.119 1.748) 5.566 21.563 ( 5.630 -3.611 -0.611) 6.716 21.755 ( -1.824 1.107 1.481) 2.597 21.783 ( 3.131 -0.791 -1.403) 3.521 21.949 ( 2.991 3.984 -1.735) 5.275 22.019 ( 1.868 -0.879 0.102) 2.067 22.127 ( 5.034 2.165 -3.491) 6.498 22.179 ( 4.110 -2.555 -5.768) 7.529 22.349 ( 6.445 10.629 -4.140) 13.102 22.483 ( 3.976 3.510 -1.418) 5.490 22.608 ( 12.809 -6.465 0.358) 14.352 22.659 ( 9.894 -5.092 4.567) 12.028 23.171 ( -5.722 0.791 1.069) 5.874 23.205 ( -3.424 -2.640 1.642) 4.624 23.623 ( -11.297 4.393 0.428) 12.129 23.714 ( -9.487 -3.510 1.313) 10.200 24.091 ( -17.406 8.458 2.160) 19.472 24.281 ( -11.190 -8.913 -2.041) 14.451 24.610 ( -0.284 2.692 -0.981) 2.879 24.671 ( -0.921 -3.130 -2.330) 4.009 24.790 ( -8.069 2.598 5.216) 9.953 24.856 ( -8.434 -3.494 6.279) 11.080 25.130 ( -2.088 1.812 -0.073) 2.766 25.158 ( -2.757 -0.628 0.571) 2.885 25.406 ( -8.324 6.843 3.610) 11.364 25.540 ( -1.675 -1.415 -4.055) 4.610 25.641 ( -8.320 -3.570 1.515) 9.179 25.721 ( 0.153 -5.915 -4.236) 7.277 26.112 ( 1.928 3.259 1.662) 4.135 26.154 ( 0.302 0.050 2.622) 2.640 26.242 ( 0.863 5.116 3.390) 6.198 26.253 ( 1.084 5.417 -0.000) 5.524 26.403 ( -1.122 -0.717 3.502) 3.746 26.460 ( -2.202 -5.258 -0.865) 5.766 26.558 ( 1.503 6.145 0.423) 6.340 26.741 ( -1.155 -9.989 -0.934) 10.099 26.940 ( -0.513 3.395 3.103) 4.628 26.958 ( 2.040 3.159 -4.930) 6.200 27.029 ( -0.508 -4.874 4.062) 6.365 27.051 ( 1.105 -5.742 -5.788) 8.227 27.530 ( -11.078 -0.007 -8.255) 13.816 27.544 ( -12.026 -1.293 -4.866) 13.038 27.804 ( -2.470 1.662 -2.031) 3.604 27.840 ( 0.292 -1.635 -3.722) 4.076 29.115 ( -7.285 7.388 16.281) 19.306 29.269 ( -3.161 -7.729 11.246) 14.007 29.652 ( 9.916 5.202 -4.823) 12.192 29.773 ( 11.335 -6.176 -4.257) 13.593 ======================= Grid point 134 (78/78) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 3.503 4.793 -6.100) 8.512 1.430 ( 0.544 -6.235 -6.248) 8.844 1.782 ( -8.799 9.405 -0.443) 12.887 1.835 ( -1.957 13.899 10.718) 17.660 2.026 ( -8.564 -10.116 -6.979) 14.979 2.078 ( 1.437 -8.679 4.650) 9.950 2.401 ( -6.766 6.376 8.076) 12.314 2.464 ( -4.264 2.476 -2.013) 5.326 2.671 ( -1.338 6.022 7.485) 9.700 2.754 ( -2.897 4.785 -4.200) 6.994 2.847 ( -7.461 -0.506 13.261) 15.224 3.015 ( -9.998 -2.182 10.735) 14.831 3.043 ( -3.790 6.616 1.247) 7.726 3.113 ( -8.787 3.339 -2.307) 9.678 3.254 ( -3.780 0.553 -2.630) 4.638 3.336 ( -0.710 -8.254 -2.075) 8.540 3.693 ( -4.680 2.597 7.121) 8.908 3.717 ( -5.277 2.898 7.815) 9.864 3.869 ( -1.801 4.547 2.567) 5.523 3.938 ( -3.739 -0.237 3.109) 4.868 3.979 ( 3.664 3.750 -5.913) 7.903 4.146 ( -1.137 -6.995 1.051) 7.164 4.376 ( -2.371 5.005 0.166) 5.541 4.462 ( -1.515 -3.454 -1.221) 3.964 4.667 ( -0.813 2.437 2.885) 3.863 4.685 ( 2.597 1.369 5.259) 6.023 5.049 ( -3.367 9.313 -9.145) 13.480 5.274 ( -5.112 -11.366 -12.669) 17.771 6.048 ( -16.768 9.076 11.908) 22.480 6.149 ( -3.537 3.246 20.841) 21.387 6.204 ( -10.861 -5.595 30.707) 33.048 6.276 ( -21.235 -6.830 0.375) 22.309 6.595 ( -17.384 2.812 -0.774) 17.627 6.709 ( -18.143 -7.361 0.425) 19.584 7.081 ( 5.065 10.670 -1.747) 11.940 7.186 ( 5.604 3.918 -2.305) 7.216 7.284 ( 3.667 -0.998 -2.542) 4.573 7.494 ( 13.567 -1.545 -11.468) 17.832 7.582 ( 1.926 -0.210 -15.196) 15.319 7.790 ( 0.196 -6.180 -6.776) 9.174 7.896 ( 9.333 -0.187 0.149) 9.336 8.001 ( 2.880 -2.737 6.689) 7.780 8.393 ( -2.127 -1.579 0.895) 2.796 8.468 ( -4.816 -7.517 7.467) 11.638 8.906 ( 5.519 -0.316 -8.904) 10.480 8.916 ( 8.116 3.180 -9.651) 13.005 9.013 ( -5.884 4.388 -11.642) 13.763 9.144 ( -9.487 -6.588 -13.044) 17.422 9.660 ( -3.651 7.429 5.441) 9.906 9.747 ( -1.367 0.075 5.077) 5.258 9.867 ( -0.692 4.998 -6.482) 8.214 9.935 ( 3.454 0.923 -6.144) 7.109 10.060 ( -6.262 -3.453 -8.154) 10.845 10.143 ( -5.864 -9.819 -1.133) 11.493 10.299 ( -3.718 -1.258 -5.320) 6.611 10.400 ( -3.859 -7.807 -6.335) 10.769 10.688 ( 3.915 6.143 5.540) 9.152 10.818 ( 2.320 -3.130 -0.236) 3.903 11.054 ( 5.773 1.620 6.647) 8.952 11.111 ( 4.993 -3.839 4.626) 7.815 11.266 ( -3.958 1.329 2.335) 4.784 11.366 ( 1.404 -8.087 6.987) 10.779 11.826 ( -2.462 3.245 -2.657) 4.863 11.877 ( -1.583 -2.116 -5.000) 5.655 11.918 ( -6.112 12.467 -8.261) 16.156 12.112 ( -0.665 -3.177 -10.269) 10.770 12.196 ( 0.691 -0.001 2.607) 2.697 12.233 ( 6.117 -1.165 1.973) 6.532 12.357 ( -8.238 -3.673 2.354) 9.322 12.394 ( -4.350 -5.065 8.753) 11.009 12.598 ( 0.683 4.826 10.727) 11.782 12.695 ( -0.891 -5.374 6.117) 8.191 13.112 ( 2.806 8.878 8.598) 12.673 13.263 ( 6.069 -5.315 9.257) 12.279 13.439 ( -1.737 8.039 -6.449) 10.452 13.580 ( -2.127 -4.833 -7.294) 9.004 13.758 ( -0.565 4.988 1.682) 5.294 13.859 ( -4.049 0.623 4.022) 5.741 13.959 ( 1.211 7.547 -3.805) 8.538 14.168 ( 0.275 -7.445 -9.843) 12.345 14.562 ( 0.927 26.813 0.908) 26.845 14.836 ( 5.965 8.411 -8.419) 13.312 15.193 ( 4.822 -4.378 4.225) 7.763 15.383 ( 3.753 -14.096 -0.089) 14.587 15.498 ( -0.512 -6.720 2.051) 7.045 15.536 ( -2.143 -13.206 0.023) 13.379 15.758 ( 5.570 3.398 1.282) 6.650 15.860 ( 1.887 -5.111 -0.865) 5.516 15.973 ( -2.556 3.340 -1.013) 4.326 16.091 ( 1.425 -10.093 -2.750) 10.558 16.405 ( -3.394 2.358 1.219) 4.309 16.446 ( -4.476 -1.079 -0.254) 4.611 17.260 ( 10.616 7.332 19.984) 23.787 17.386 ( 13.074 -5.051 25.792) 29.354 18.233 ( 9.415 18.948 -19.711) 28.917 18.555 ( 9.825 -12.890 -20.323) 25.994 20.203 ( 1.932 4.020 3.459) 5.644 20.283 ( 3.579 -3.512 2.561) 5.630 20.344 ( -4.008 0.173 4.972) 6.389 20.351 ( -2.048 -0.835 2.858) 3.614 20.668 ( 2.331 4.337 -5.531) 7.405 20.735 ( 1.589 -1.129 -4.128) 4.565 20.785 ( 2.229 0.311 -0.565) 2.321 20.807 ( 4.310 -2.379 -2.910) 5.719 21.049 ( -0.896 4.090 2.432) 4.842 21.127 ( -3.623 -2.626 -0.642) 4.520 21.279 ( -1.931 2.771 -5.641) 6.575 21.327 ( -2.750 -1.735 -4.688) 5.705 21.564 ( 4.199 4.719 0.367) 6.327 21.633 ( 3.942 -1.827 -2.549) 5.037 21.748 ( -0.453 -0.261 1.447) 1.538 21.778 ( -0.709 -3.204 -1.598) 3.650 22.003 ( 2.536 4.256 1.169) 5.090 22.050 ( 1.331 0.169 0.850) 1.588 22.105 ( -0.289 5.902 -4.495) 7.424 22.190 ( 5.752 -2.288 -10.013) 11.772 22.453 ( 9.049 7.741 -3.356) 12.372 22.546 ( 5.310 0.781 -2.850) 6.077 22.800 ( 9.230 -2.152 -1.356) 9.574 22.883 ( 10.232 -7.721 -1.959) 12.966 23.167 ( 0.647 2.496 5.663) 6.222 23.218 ( 2.917 -2.378 3.832) 5.371 23.405 ( -14.188 4.205 2.043) 14.939 23.517 ( -15.451 -6.606 2.912) 17.054 23.890 ( -9.820 10.798 7.828) 16.562 24.093 ( -9.083 -8.674 1.804) 12.688 24.593 ( -2.242 1.429 -0.409) 2.690 24.621 ( -2.661 -1.124 -0.347) 2.909 24.755 ( -1.865 2.978 7.052) 7.879 24.843 ( -0.515 -5.365 8.097) 9.727 25.091 ( -2.407 1.893 -0.183) 3.068 25.118 ( -2.462 -0.424 1.025) 2.701 25.308 ( -6.900 6.780 4.079) 10.498 25.477 ( -3.851 -5.976 1.182) 7.207 25.515 ( -4.476 1.703 -3.980) 6.227 25.683 ( 0.689 -9.642 -5.885) 11.317 26.168 ( 1.666 6.422 1.649) 6.837 26.202 ( 1.536 2.270 2.536) 3.734 26.262 ( -0.834 4.773 2.284) 5.357 26.303 ( 1.457 3.973 4.821) 6.415 26.398 ( -2.111 -4.182 -0.794) 4.751 26.463 ( 5.233 -3.195 -1.879) 6.413 26.581 ( 0.288 2.436 -0.480) 2.500 26.677 ( -3.739 -6.505 -1.365) 7.626 26.885 ( 0.021 3.356 -5.013) 6.033 26.968 ( -1.466 -4.078 -1.308) 4.527 27.005 ( -2.566 3.419 1.901) 4.678 27.082 ( 0.572 -3.136 0.921) 3.318 27.280 ( -6.890 1.142 -7.602) 10.323 27.330 ( -7.430 -3.762 -2.762) 8.774 27.765 ( -0.467 2.061 -0.880) 2.290 27.821 ( 1.991 -3.045 -4.583) 5.852 29.162 ( -6.311 8.395 16.918) 19.913 29.325 ( -2.382 -7.191 9.505) 12.154 29.751 ( 6.336 4.139 -3.820) 8.477 29.883 ( 7.854 -7.971 -7.553) 13.501 =================== 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 3/39000 10.0 80.136 55.665 45.994 0.000 -1.522 0.000 3/39000 20.0 14.683 13.128 13.037 0.000 -1.100 0.000 3/39000 30.0 7.832 7.197 7.554 0.000 -0.566 0.000 3/39000 40.0 5.754 5.084 5.527 0.000 -0.376 0.000 3/39000 50.0 4.760 4.018 4.540 0.000 -0.292 0.000 3/39000 60.0 4.167 3.374 3.981 0.000 -0.248 0.000 3/39000 70.0 3.768 2.941 3.624 0.000 -0.220 0.000 3/39000 80.0 3.476 2.631 3.371 0.000 -0.201 0.000 3/39000 90.0 3.248 2.399 3.175 0.000 -0.186 0.000 3/39000 100.0 3.063 2.219 3.013 0.000 -0.174 0.000 3/39000 110.0 2.906 2.077 2.875 0.000 -0.162 0.000 3/39000 120.0 2.771 1.961 2.753 0.000 -0.152 0.000 3/39000 130.0 2.653 1.864 2.643 0.000 -0.142 0.000 3/39000 140.0 2.547 1.782 2.544 0.000 -0.133 0.000 3/39000 150.0 2.452 1.710 2.454 0.000 -0.124 0.000 3/39000 160.0 2.366 1.647 2.371 0.000 -0.117 0.000 3/39000 170.0 2.287 1.590 2.294 0.000 -0.110 0.000 3/39000 180.0 2.214 1.538 2.223 0.000 -0.104 0.000 3/39000 190.0 2.146 1.490 2.157 0.000 -0.099 0.000 3/39000 200.0 2.083 1.445 2.094 0.000 -0.094 0.000 3/39000 210.0 2.024 1.404 2.036 0.000 -0.090 0.000 3/39000 220.0 1.969 1.365 1.981 0.000 -0.086 0.000 3/39000 230.0 1.916 1.328 1.928 0.000 -0.083 0.000 3/39000 240.0 1.866 1.293 1.879 0.000 -0.080 0.000 3/39000 250.0 1.819 1.260 1.832 0.000 -0.077 0.000 3/39000 260.0 1.774 1.228 1.787 0.000 -0.075 0.000 3/39000 270.0 1.732 1.198 1.745 0.000 -0.073 0.000 3/39000 280.0 1.691 1.169 1.704 0.000 -0.071 0.000 3/39000 290.0 1.652 1.142 1.665 0.000 -0.070 0.000 3/39000 300.0 1.614 1.115 1.628 0.000 -0.068 0.000 3/39000 310.0 1.578 1.090 1.593 0.000 -0.067 0.000 3/39000 320.0 1.544 1.066 1.558 0.000 -0.066 0.000 3/39000 330.0 1.511 1.042 1.526 0.000 -0.065 0.000 3/39000 340.0 1.479 1.020 1.494 0.000 -0.064 0.000 3/39000 350.0 1.448 0.998 1.464 0.000 -0.063 0.000 3/39000 360.0 1.419 0.977 1.434 0.000 -0.062 0.000 3/39000 370.0 1.391 0.957 1.406 0.000 -0.062 0.000 3/39000 380.0 1.363 0.938 1.379 0.000 -0.061 0.000 3/39000 390.0 1.337 0.920 1.353 0.000 -0.060 0.000 3/39000 400.0 1.311 0.902 1.328 0.000 -0.060 0.000 3/39000 410.0 1.287 0.884 1.303 0.000 -0.059 0.000 3/39000 420.0 1.263 0.868 1.279 0.000 -0.058 0.000 3/39000 430.0 1.240 0.851 1.257 0.000 -0.058 0.000 3/39000 440.0 1.218 0.836 1.235 0.000 -0.057 0.000 3/39000 450.0 1.196 0.821 1.213 0.000 -0.057 0.000 3/39000 460.0 1.175 0.806 1.192 0.000 -0.056 0.000 3/39000 470.0 1.155 0.792 1.172 0.000 -0.055 0.000 3/39000 480.0 1.136 0.778 1.153 0.000 -0.055 0.000 3/39000 490.0 1.117 0.765 1.134 0.000 -0.054 0.000 3/39000 500.0 1.098 0.752 1.116 0.000 -0.054 0.000 3/39000 510.0 1.081 0.740 1.098 0.000 -0.053 0.000 3/39000 520.0 1.063 0.728 1.081 0.000 -0.053 0.000 3/39000 530.0 1.046 0.716 1.064 0.000 -0.052 0.000 3/39000 540.0 1.030 0.705 1.047 0.000 -0.052 0.000 3/39000 550.0 1.014 0.694 1.032 0.000 -0.051 0.000 3/39000 560.0 0.999 0.683 1.016 0.000 -0.051 0.000 3/39000 570.0 0.984 0.672 1.001 0.000 -0.050 0.000 3/39000 580.0 0.969 0.662 0.987 0.000 -0.050 0.000 3/39000 590.0 0.955 0.653 0.972 0.000 -0.049 0.000 3/39000 600.0 0.941 0.643 0.959 0.000 -0.049 0.000 3/39000 610.0 0.928 0.634 0.945 0.000 -0.048 0.000 3/39000 620.0 0.915 0.625 0.932 0.000 -0.048 0.000 3/39000 630.0 0.902 0.616 0.919 0.000 -0.047 0.000 3/39000 640.0 0.890 0.607 0.907 0.000 -0.047 0.000 3/39000 650.0 0.878 0.599 0.895 0.000 -0.046 0.000 3/39000 660.0 0.866 0.591 0.883 0.000 -0.046 0.000 3/39000 670.0 0.855 0.583 0.871 0.000 -0.046 0.000 3/39000 680.0 0.844 0.575 0.860 0.000 -0.045 0.000 3/39000 690.0 0.833 0.568 0.849 0.000 -0.045 0.000 3/39000 700.0 0.822 0.560 0.839 0.000 -0.044 0.000 3/39000 710.0 0.812 0.553 0.828 0.000 -0.044 0.000 3/39000 720.0 0.801 0.546 0.818 0.000 -0.044 0.000 3/39000 730.0 0.792 0.539 0.808 0.000 -0.043 0.000 3/39000 740.0 0.782 0.533 0.798 0.000 -0.043 0.000 3/39000 750.0 0.772 0.526 0.789 0.000 -0.042 0.000 3/39000 760.0 0.763 0.520 0.779 0.000 -0.042 0.000 3/39000 770.0 0.754 0.514 0.770 0.000 -0.042 0.000 3/39000 780.0 0.745 0.507 0.761 0.000 -0.041 0.000 3/39000 790.0 0.737 0.502 0.753 0.000 -0.041 0.000 3/39000 800.0 0.728 0.496 0.744 0.000 -0.040 0.000 3/39000 810.0 0.720 0.490 0.736 0.000 -0.040 0.000 3/39000 820.0 0.712 0.485 0.728 0.000 -0.040 0.000 3/39000 830.0 0.704 0.479 0.720 0.000 -0.039 0.000 3/39000 840.0 0.696 0.474 0.712 0.000 -0.039 0.000 3/39000 850.0 0.689 0.469 0.704 0.000 -0.039 0.000 3/39000 860.0 0.681 0.464 0.697 0.000 -0.038 0.000 3/39000 870.0 0.674 0.459 0.689 0.000 -0.038 0.000 3/39000 880.0 0.667 0.454 0.682 0.000 -0.038 0.000 3/39000 890.0 0.660 0.449 0.675 0.000 -0.037 0.000 3/39000 900.0 0.653 0.444 0.668 0.000 -0.037 0.000 3/39000 910.0 0.647 0.440 0.661 0.000 -0.037 0.000 3/39000 920.0 0.640 0.435 0.655 0.000 -0.036 0.000 3/39000 930.0 0.634 0.431 0.648 0.000 -0.036 0.000 3/39000 940.0 0.627 0.426 0.642 0.000 -0.036 0.000 3/39000 950.0 0.621 0.422 0.635 0.000 -0.035 0.000 3/39000 960.0 0.615 0.418 0.629 0.000 -0.035 0.000 3/39000 970.0 0.609 0.414 0.623 0.000 -0.035 0.000 3/39000 980.0 0.603 0.410 0.617 0.000 -0.035 0.000 3/39000 990.0 0.598 0.406 0.611 0.000 -0.034 0.000 3/39000 1000.0 0.592 0.402 0.606 0.000 -0.034 0.000 3/39000 Thermal conductivity related properties were written into "kappa-m1055.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:58:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|