# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0ce057b4-19dd-4870-af17-17ffaa9594b3/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for CsRe6Se8I3 / P2_1/c (14) / materials id 680185](https://mdr.nims.go.jp/datasets/4a6c7e59-3864-482c-a4a1-8a73311d04f6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:42:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 8------------------------------ primitive cell ------------------------------Lattice vectors: a 6.531547800172720 0.000000000000000 0.000000000000000 b 0.000000000000000 19.603917400000000 0.000000000000000 c -4.485575327819928 0.000000000000000 15.725533061294474Atomic positions (fractional): *1 Cs 0.96664348619233 0.98086748801151 0.74861923203350 132.905 2 Cs 0.96664348619233 0.51913251198849 0.24861923203350 132.905 3 Cs 0.03335651380767 0.01913251198849 0.25138076796650 132.905 4 Cs 0.03335651380767 0.48086748801151 0.75138076796650 132.905 *5 Re 0.82556418605117 0.26239673456622 0.54078702231905 186.207 *6 Re 0.49492485320792 0.16293031453540 0.04657508466501 186.207 7 Re 0.50507514679208 0.66293031453540 0.45342491533499 186.207 8 Re 0.50507514679208 0.83706968546460 0.95342491533498 186.207 9 Re 0.17443581394883 0.73760326543378 0.45921297768095 186.207 *10 Re 0.24235951537993 0.24205648462188 0.46165310564819 186.207 11 Re 0.17443581394883 0.76239673456622 0.95921297768095 186.207 *12 Re 0.46984048680796 0.79131101287441 0.39746443440724 186.207 *13 Re 0.42692895965511 0.83275496410160 0.54406952387812 186.207 14 Re 0.57307104034489 0.16724503589840 0.45593047612188 186.207 *15 Re 0.46255928578074 0.70461441286796 0.60021126026255 186.207 16 Re 0.53744071421926 0.20461441286796 0.89978873973745 186.207 17 Re 0.53015951319204 0.29131101287441 0.10253556559276 186.207 18 Re 0.46984048680796 0.70868898712559 0.89746443440724 186.207 19 Re 0.42692895965511 0.66724503589840 0.04406952387812 186.207 20 Re 0.82556418605117 0.23760326543378 0.04078702231905 186.207 21 Re 0.24235951537993 0.25794351537812 0.96165310564819 186.207 22 Re 0.53744071421926 0.29538558713204 0.39978873973745 186.207 23 Re 0.75764048462007 0.74205648462188 0.03834689435181 186.207 24 Re 0.53015951319204 0.20868898712559 0.60253556559276 186.207 25 Re 0.75764048462007 0.75794351537812 0.53834689435181 186.207 26 Re 0.57307104034489 0.33275496410160 0.95593047612188 186.207 27 Re 0.46255928578074 0.79538558713204 0.10021126026255 186.207 28 Re 0.49492485320792 0.33706968546460 0.54657508466502 186.207 *29 Se 0.84155540149075 0.22069138102496 0.39055602136169 78.960 *30 Se 0.77209765310012 0.19785291710595 0.18006799713364 78.960 *31 Se 0.84993035977796 0.14091402524807 0.59310934669833 78.960 *32 Se 0.22654591696192 0.21630954395990 0.11195973557675 78.960 *33 Se 0.21888730382339 0.36356450995486 0.40932207182515 78.960 *34 Se 0.78317479429804 0.38332808912408 0.48734887367156 78.960 *35 Se 0.28381772746673 0.12111366313106 0.51458039397440 78.960 36 Se 0.21888730382339 0.13643549004514 0.90932207182515 78.960 37 Se 0.84155540149075 0.27930861897504 0.89055602136169 78.960 38 Se 0.22654591696192 0.28369045604010 0.61195973557675 78.960 39 Se 0.15844459850925 0.72069138102496 0.10944397863831 78.960 40 Se 0.15006964022204 0.64091402524807 0.90689065330167 78.960 *41 Se 0.29535696305622 0.20187301392693 0.32263538902498 78.960 42 Se 0.21682520570196 0.61667191087592 0.51265112632844 78.960 43 Se 0.22790234689989 0.69785291710595 0.31993200286636 78.960 44 Se 0.78111269617661 0.86356450995486 0.09067792817485 78.960 45 Se 0.77345408303808 0.78369045604010 0.88804026442325 78.960 46 Se 0.70464303694378 0.79812698607307 0.67736461097502 78.960 47 Se 0.71618227253327 0.62111366313106 0.98541960602560 78.960 48 Se 0.28381772746673 0.37888633686894 0.01458039397440 78.960 49 Se 0.29535696305622 0.29812698607307 0.82263538902498 78.960 50 Se 0.70464303694378 0.70187301392693 0.17736461097502 78.960 51 Se 0.15844459850925 0.77930861897504 0.60944397863831 78.960 52 Se 0.77209765310012 0.30214708289405 0.68006799713364 78.960 53 Se 0.78111269617661 0.63643549004514 0.59067792817485 78.960 54 Se 0.22790234689989 0.80214708289405 0.81993200286636 78.960 55 Se 0.84993035977796 0.35908597475193 0.09310934669833 78.960 56 Se 0.77345408303808 0.71630954395990 0.38804026442325 78.960 57 Se 0.15006964022204 0.85908597475193 0.40689065330167 78.960 58 Se 0.21682520570196 0.88332808912408 0.01265112632844 78.960 59 Se 0.71618227253327 0.87888633686894 0.48541960602560 78.960 60 Se 0.78317479429804 0.11667191087593 0.98734887367156 78.960 *61 I 0.52848063281761 0.36485228263775 0.24942006220925 126.904 *62 I 0.37490019759021 0.54261839781050 0.11210975050138 126.904 63 I 0.37490019759021 0.95738160218950 0.61210975050137 126.904 64 I 0.62509980240979 0.04261839781050 0.38789024949862 126.904 65 I 0.47151936718239 0.63514771736225 0.75057993779075 126.904 66 I 0.62509980240979 0.45738160218950 0.88789024949863 126.904 *67 I 0.55678411187984 0.96155795935180 0.88471018262655 126.904 68 I 0.55678411187984 0.53844204064820 0.38471018262655 126.904 69 I 0.44321588812016 0.03844204064820 0.11528981737345 126.904 70 I 0.47151936718239 0.86485228263775 0.25057993779075 126.904 71 I 0.44321588812016 0.46155795935180 0.61528981737345 126.904 72 I 0.52848063281761 0.13514771736225 0.74942006220925 126.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.531547800172720 0.000000000000000 0.000000000000000 b 0.000000000000000 19.603917400000000 0.000000000000000 c -4.485575327819928 0.000000000000000 15.725533061294474Atomic positions (fractional): *1 Cs 0.96664348619233 0.98086748801151 0.74861923203350 132.905 > 1 2 Cs 0.96664348619233 0.51913251198849 0.24861923203350 132.905 > 2 3 Cs 0.03335651380767 0.01913251198849 0.25138076796650 132.905 > 3 4 Cs 0.03335651380767 0.48086748801151 0.75138076796650 132.905 > 4 *5 Re 0.82556418605117 0.26239673456622 0.54078702231905 186.207 > 5 *6 Re 0.49492485320792 0.16293031453540 0.04657508466501 186.207 > 6 7 Re 0.50507514679208 0.66293031453540 0.45342491533499 186.207 > 7 8 Re 0.50507514679208 0.83706968546460 0.95342491533498 186.207 > 8 9 Re 0.17443581394883 0.73760326543378 0.45921297768095 186.207 > 9 *10 Re 0.24235951537993 0.24205648462188 0.46165310564819 186.207 > 10 11 Re 0.17443581394883 0.76239673456622 0.95921297768095 186.207 > 11 *12 Re 0.46984048680796 0.79131101287441 0.39746443440724 186.207 > 12 *13 Re 0.42692895965511 0.83275496410160 0.54406952387812 186.207 > 13 14 Re 0.57307104034489 0.16724503589840 0.45593047612188 186.207 > 14 *15 Re 0.46255928578074 0.70461441286796 0.60021126026255 186.207 > 15 16 Re 0.53744071421926 0.20461441286796 0.89978873973745 186.207 > 16 17 Re 0.53015951319204 0.29131101287441 0.10253556559276 186.207 > 17 18 Re 0.46984048680796 0.70868898712559 0.89746443440724 186.207 > 18 19 Re 0.42692895965511 0.66724503589840 0.04406952387812 186.207 > 19 20 Re 0.82556418605117 0.23760326543378 0.04078702231905 186.207 > 20 21 Re 0.24235951537993 0.25794351537812 0.96165310564819 186.207 > 21 22 Re 0.53744071421926 0.29538558713204 0.39978873973745 186.207 > 22 23 Re 0.75764048462007 0.74205648462188 0.03834689435181 186.207 > 23 24 Re 0.53015951319204 0.20868898712559 0.60253556559276 186.207 > 24 25 Re 0.75764048462007 0.75794351537812 0.53834689435181 186.207 > 25 26 Re 0.57307104034489 0.33275496410160 0.95593047612188 186.207 > 26 27 Re 0.46255928578074 0.79538558713204 0.10021126026255 186.207 > 27 28 Re 0.49492485320792 0.33706968546460 0.54657508466502 186.207 > 28 *29 Se 0.84155540149075 0.22069138102496 0.39055602136169 78.960 > 29 *30 Se 0.77209765310012 0.19785291710595 0.18006799713364 78.960 > 30 *31 Se 0.84993035977796 0.14091402524807 0.59310934669833 78.960 > 31 *32 Se 0.22654591696192 0.21630954395990 0.11195973557675 78.960 > 32 *33 Se 0.21888730382339 0.36356450995486 0.40932207182515 78.960 > 33 *34 Se 0.78317479429804 0.38332808912408 0.48734887367156 78.960 > 34 *35 Se 0.28381772746673 0.12111366313106 0.51458039397440 78.960 > 35 36 Se 0.21888730382339 0.13643549004514 0.90932207182515 78.960 > 36 37 Se 0.84155540149075 0.27930861897504 0.89055602136169 78.960 > 37 38 Se 0.22654591696192 0.28369045604010 0.61195973557675 78.960 > 38 39 Se 0.15844459850925 0.72069138102496 0.10944397863831 78.960 > 39 40 Se 0.15006964022204 0.64091402524807 0.90689065330167 78.960 > 40 *41 Se 0.29535696305622 0.20187301392693 0.32263538902498 78.960 > 41 42 Se 0.21682520570196 0.61667191087592 0.51265112632844 78.960 > 42 43 Se 0.22790234689989 0.69785291710595 0.31993200286636 78.960 > 43 44 Se 0.78111269617661 0.86356450995486 0.09067792817485 78.960 > 44 45 Se 0.77345408303808 0.78369045604010 0.88804026442325 78.960 > 45 46 Se 0.70464303694378 0.79812698607307 0.67736461097502 78.960 > 46 47 Se 0.71618227253327 0.62111366313106 0.98541960602560 78.960 > 47 48 Se 0.28381772746673 0.37888633686894 0.01458039397440 78.960 > 48 49 Se 0.29535696305622 0.29812698607307 0.82263538902498 78.960 > 49 50 Se 0.70464303694378 0.70187301392693 0.17736461097502 78.960 > 50 51 Se 0.15844459850925 0.77930861897504 0.60944397863831 78.960 > 51 52 Se 0.77209765310012 0.30214708289405 0.68006799713364 78.960 > 52 53 Se 0.78111269617661 0.63643549004514 0.59067792817485 78.960 > 53 54 Se 0.22790234689989 0.80214708289405 0.81993200286636 78.960 > 54 55 Se 0.84993035977796 0.35908597475193 0.09310934669833 78.960 > 55 56 Se 0.77345408303808 0.71630954395990 0.38804026442325 78.960 > 56 57 Se 0.15006964022204 0.85908597475193 0.40689065330167 78.960 > 57 58 Se 0.21682520570196 0.88332808912408 0.01265112632844 78.960 > 58 59 Se 0.71618227253327 0.87888633686894 0.48541960602560 78.960 > 59 60 Se 0.78317479429804 0.11667191087593 0.98734887367156 78.960 > 60 *61 I 0.52848063281761 0.36485228263775 0.24942006220925 126.904 > 61 *62 I 0.37490019759021 0.54261839781050 0.11210975050138 126.904 > 62 63 I 0.37490019759021 0.95738160218950 0.61210975050137 126.904 > 63 64 I 0.62509980240979 0.04261839781050 0.38789024949862 126.904 > 64 65 I 0.47151936718239 0.63514771736225 0.75057993779075 126.904 > 65 66 I 0.62509980240979 0.45738160218950 0.88789024949863 126.904 > 66 *67 I 0.55678411187984 0.96155795935180 0.88471018262655 126.904 > 67 68 I 0.55678411187984 0.53844204064820 0.38471018262655 126.904 > 68 69 I 0.44321588812016 0.03844204064820 0.11528981737345 126.904 > 69 70 I 0.47151936718239 0.86485228263775 0.25057993779075 126.904 > 70 71 I 0.44321588812016 0.46155795935180 0.61528981737345 126.904 > 71 72 I 0.52848063281761 0.13514771736225 0.74942006220925 126.904 > 72-------------------------------- super cell --------------------------------Lattice vectors: a 13.063095600345440 0.000000000000000 0.000000000000000 b 0.000000000000000 19.603917400000000 0.000000000000000 c -4.485575327819928 0.000000000000000 15.725533061294474Atomic positions (fractional): *1 Cs 0.48332174309617 0.98086748801151 0.74861923203350 132.905 > 1 2 Cs 0.98332174309617 0.98086748801151 0.74861923203350 132.905 > 1 3 Cs 0.48332174309617 0.51913251198849 0.24861923203350 132.905 > 2 4 Cs 0.98332174309617 0.51913251198849 0.24861923203350 132.905 > 2 5 Cs 0.01667825690383 0.01913251198849 0.25138076796650 132.905 > 3 6 Cs 0.51667825690383 0.01913251198849 0.25138076796650 132.905 > 3 7 Cs 0.01667825690383 0.48086748801151 0.75138076796650 132.905 > 4 8 Cs 0.51667825690383 0.48086748801151 0.75138076796650 132.905 > 4 *9 Re 0.41278209302559 0.26239673456622 0.54078702231905 186.207 > 5 10 Re 0.91278209302559 0.26239673456622 0.54078702231905 186.207 > 5 *11 Re 0.24746242660396 0.16293031453540 0.04657508466501 186.207 > 6 12 Re 0.74746242660396 0.16293031453540 0.04657508466501 186.207 > 6 13 Re 0.25253757339604 0.66293031453540 0.45342491533499 186.207 > 7 14 Re 0.75253757339604 0.66293031453540 0.45342491533499 186.207 > 7 15 Re 0.25253757339604 0.83706968546460 0.95342491533498 186.207 > 8 16 Re 0.75253757339604 0.83706968546460 0.95342491533498 186.207 > 8 17 Re 0.08721790697441 0.73760326543378 0.45921297768095 186.207 > 9 18 Re 0.58721790697441 0.73760326543378 0.45921297768095 186.207 > 9 *19 Re 0.12117975768996 0.24205648462188 0.46165310564819 186.207 > 10 20 Re 0.62117975768996 0.24205648462188 0.46165310564819 186.207 > 10 21 Re 0.08721790697441 0.76239673456622 0.95921297768095 186.207 > 11 22 Re 0.58721790697441 0.76239673456622 0.95921297768095 186.207 > 11 *23 Re 0.23492024340398 0.79131101287441 0.39746443440724 186.207 > 12 24 Re 0.73492024340398 0.79131101287441 0.39746443440724 186.207 > 12 *25 Re 0.21346447982756 0.83275496410160 0.54406952387812 186.207 > 13 26 Re 0.71346447982756 0.83275496410160 0.54406952387812 186.207 > 13 27 Re 0.28653552017244 0.16724503589840 0.45593047612188 186.207 > 14 28 Re 0.78653552017244 0.16724503589840 0.45593047612188 186.207 > 14 *29 Re 0.23127964289037 0.70461441286796 0.60021126026255 186.207 > 15 30 Re 0.73127964289037 0.70461441286796 0.60021126026255 186.207 > 15 31 Re 0.26872035710963 0.20461441286796 0.89978873973745 186.207 > 16 32 Re 0.76872035710963 0.20461441286796 0.89978873973745 186.207 > 16 33 Re 0.26507975659602 0.29131101287441 0.10253556559276 186.207 > 17 34 Re 0.76507975659602 0.29131101287441 0.10253556559276 186.207 > 17 35 Re 0.23492024340398 0.70868898712559 0.89746443440724 186.207 > 18 36 Re 0.73492024340398 0.70868898712559 0.89746443440724 186.207 > 18 37 Re 0.21346447982756 0.66724503589840 0.04406952387812 186.207 > 19 38 Re 0.71346447982756 0.66724503589840 0.04406952387812 186.207 > 19 39 Re 0.41278209302559 0.23760326543378 0.04078702231905 186.207 > 20 40 Re 0.91278209302559 0.23760326543378 0.04078702231905 186.207 > 20 41 Re 0.12117975768996 0.25794351537812 0.96165310564819 186.207 > 21 42 Re 0.62117975768996 0.25794351537812 0.96165310564819 186.207 > 21 43 Re 0.26872035710963 0.29538558713204 0.39978873973745 186.207 > 22 44 Re 0.76872035710963 0.29538558713204 0.39978873973745 186.207 > 22 45 Re 0.37882024231004 0.74205648462188 0.03834689435181 186.207 > 23 46 Re 0.87882024231004 0.74205648462188 0.03834689435181 186.207 > 23 47 Re 0.26507975659602 0.20868898712559 0.60253556559276 186.207 > 24 48 Re 0.76507975659602 0.20868898712559 0.60253556559276 186.207 > 24 49 Re 0.37882024231004 0.75794351537812 0.53834689435181 186.207 > 25 50 Re 0.87882024231004 0.75794351537812 0.53834689435181 186.207 > 25 51 Re 0.28653552017244 0.33275496410160 0.95593047612188 186.207 > 26 52 Re 0.78653552017244 0.33275496410160 0.95593047612188 186.207 > 26 53 Re 0.23127964289037 0.79538558713204 0.10021126026255 186.207 > 27 54 Re 0.73127964289037 0.79538558713204 0.10021126026255 186.207 > 27 55 Re 0.24746242660396 0.33706968546460 0.54657508466502 186.207 > 28 56 Re 0.74746242660396 0.33706968546460 0.54657508466502 186.207 > 28 *57 Se 0.42077770074538 0.22069138102496 0.39055602136169 78.960 > 29 58 Se 0.92077770074538 0.22069138102496 0.39055602136169 78.960 > 29 *59 Se 0.38604882655006 0.19785291710595 0.18006799713364 78.960 > 30 60 Se 0.88604882655006 0.19785291710595 0.18006799713364 78.960 > 30 *61 Se 0.42496517988898 0.14091402524807 0.59310934669833 78.960 > 31 62 Se 0.92496517988898 0.14091402524807 0.59310934669833 78.960 > 31 *63 Se 0.11327295848096 0.21630954395990 0.11195973557675 78.960 > 32 64 Se 0.61327295848096 0.21630954395990 0.11195973557675 78.960 > 32 *65 Se 0.10944365191170 0.36356450995486 0.40932207182515 78.960 > 33 66 Se 0.60944365191170 0.36356450995486 0.40932207182515 78.960 > 33 *67 Se 0.39158739714902 0.38332808912408 0.48734887367156 78.960 > 34 68 Se 0.89158739714902 0.38332808912408 0.48734887367156 78.960 > 34 *69 Se 0.14190886373336 0.12111366313106 0.51458039397440 78.960 > 35 70 Se 0.64190886373336 0.12111366313106 0.51458039397440 78.960 > 35 71 Se 0.10944365191170 0.13643549004514 0.90932207182515 78.960 > 36 72 Se 0.60944365191170 0.13643549004514 0.90932207182515 78.960 > 36 73 Se 0.42077770074538 0.27930861897504 0.89055602136169 78.960 > 37 74 Se 0.92077770074538 0.27930861897504 0.89055602136169 78.960 > 37 75 Se 0.11327295848096 0.28369045604010 0.61195973557675 78.960 > 38 76 Se 0.61327295848096 0.28369045604010 0.61195973557675 78.960 > 38 77 Se 0.07922229925462 0.72069138102496 0.10944397863831 78.960 > 39 78 Se 0.57922229925462 0.72069138102496 0.10944397863831 78.960 > 39 79 Se 0.07503482011102 0.64091402524807 0.90689065330167 78.960 > 40 80 Se 0.57503482011102 0.64091402524807 0.90689065330167 78.960 > 40 *81 Se 0.14767848152811 0.20187301392693 0.32263538902498 78.960 > 41 82 Se 0.64767848152811 0.20187301392693 0.32263538902498 78.960 > 41 83 Se 0.10841260285098 0.61667191087592 0.51265112632844 78.960 > 42 84 Se 0.60841260285098 0.61667191087592 0.51265112632844 78.960 > 42 85 Se 0.11395117344994 0.69785291710595 0.31993200286636 78.960 > 43 86 Se 0.61395117344994 0.69785291710595 0.31993200286636 78.960 > 43 87 Se 0.39055634808830 0.86356450995486 0.09067792817485 78.960 > 44 88 Se 0.89055634808830 0.86356450995486 0.09067792817485 78.960 > 44 89 Se 0.38672704151904 0.78369045604010 0.88804026442325 78.960 > 45 90 Se 0.88672704151904 0.78369045604010 0.88804026442325 78.960 > 45 91 Se 0.35232151847189 0.79812698607307 0.67736461097502 78.960 > 46 92 Se 0.85232151847189 0.79812698607307 0.67736461097502 78.960 > 46 93 Se 0.35809113626664 0.62111366313106 0.98541960602560 78.960 > 47 94 Se 0.85809113626664 0.62111366313106 0.98541960602560 78.960 > 47 95 Se 0.14190886373336 0.37888633686894 0.01458039397440 78.960 > 48 96 Se 0.64190886373336 0.37888633686894 0.01458039397440 78.960 > 48 97 Se 0.14767848152811 0.29812698607307 0.82263538902498 78.960 > 49 98 Se 0.64767848152811 0.29812698607307 0.82263538902498 78.960 > 49 99 Se 0.35232151847189 0.70187301392693 0.17736461097502 78.960 > 50 100 Se 0.85232151847189 0.70187301392693 0.17736461097502 78.960 > 50 101 Se 0.07922229925462 0.77930861897504 0.60944397863831 78.960 > 51 102 Se 0.57922229925462 0.77930861897504 0.60944397863831 78.960 > 51 103 Se 0.38604882655006 0.30214708289405 0.68006799713364 78.960 > 52 104 Se 0.88604882655006 0.30214708289405 0.68006799713364 78.960 > 52 105 Se 0.39055634808830 0.63643549004514 0.59067792817485 78.960 > 53 106 Se 0.89055634808830 0.63643549004514 0.59067792817485 78.960 > 53 107 Se 0.11395117344994 0.80214708289405 0.81993200286636 78.960 > 54 108 Se 0.61395117344994 0.80214708289405 0.81993200286636 78.960 > 54 109 Se 0.42496517988898 0.35908597475193 0.09310934669833 78.960 > 55 110 Se 0.92496517988898 0.35908597475193 0.09310934669833 78.960 > 55 111 Se 0.38672704151904 0.71630954395990 0.38804026442325 78.960 > 56 112 Se 0.88672704151904 0.71630954395990 0.38804026442325 78.960 > 56 113 Se 0.07503482011102 0.85908597475193 0.40689065330167 78.960 > 57 114 Se 0.57503482011102 0.85908597475193 0.40689065330167 78.960 > 57 115 Se 0.10841260285098 0.88332808912408 0.01265112632844 78.960 > 58 116 Se 0.60841260285098 0.88332808912408 0.01265112632844 78.960 > 58 117 Se 0.35809113626664 0.87888633686894 0.48541960602560 78.960 > 59 118 Se 0.85809113626664 0.87888633686894 0.48541960602560 78.960 > 59 119 Se 0.39158739714902 0.11667191087593 0.98734887367156 78.960 > 60 120 Se 0.89158739714902 0.11667191087593 0.98734887367156 78.960 > 60 *121 I 0.26424031640881 0.36485228263775 0.24942006220925 126.904 > 61 122 I 0.76424031640881 0.36485228263775 0.24942006220925 126.904 > 61 *123 I 0.18745009879511 0.54261839781050 0.11210975050138 126.904 > 62 124 I 0.68745009879511 0.54261839781050 0.11210975050138 126.904 > 62 125 I 0.18745009879511 0.95738160218950 0.61210975050137 126.904 > 63 126 I 0.68745009879511 0.95738160218950 0.61210975050137 126.904 > 63 127 I 0.31254990120489 0.04261839781050 0.38789024949862 126.904 > 64 128 I 0.81254990120489 0.04261839781050 0.38789024949862 126.904 > 64 129 I 0.23575968359119 0.63514771736225 0.75057993779075 126.904 > 65 130 I 0.73575968359119 0.63514771736225 0.75057993779075 126.904 > 65 131 I 0.31254990120489 0.45738160218950 0.88789024949863 126.904 > 66 132 I 0.81254990120489 0.45738160218950 0.88789024949863 126.904 > 66 *133 I 0.27839205593992 0.96155795935180 0.88471018262655 126.904 > 67 134 I 0.77839205593992 0.96155795935180 0.88471018262655 126.904 > 67 135 I 0.27839205593992 0.53844204064820 0.38471018262655 126.904 > 68 136 I 0.77839205593992 0.53844204064820 0.38471018262655 126.904 > 68 137 I 0.22160794406008 0.03844204064820 0.11528981737345 126.904 > 69 138 I 0.72160794406008 0.03844204064820 0.11528981737345 126.904 > 69 139 I 0.23575968359119 0.86485228263775 0.25057993779075 126.904 > 70 140 I 0.73575968359119 0.86485228263775 0.25057993779075 126.904 > 70 141 I 0.22160794406008 0.46155795935180 0.61528981737345 126.904 > 71 142 I 0.72160794406008 0.46155795935180 0.61528981737345 126.904 > 71 143 I 0.26424031640881 0.13514771736225 0.74942006220925 126.904 > 72 144 I 0.76424031640881 0.13514771736225 0.74942006220925 126.904 > 72----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.2860962 0.0000000 -0.2494448 0.0000000 6.3764680 0.0000000 -0.2494504 0.0000000 9.1208363-------------------------- Born effective charges -------------------------- 1 Cs 1.6055118 -0.0480605 0.1485302 -0.0356050 1.7425016 -0.0021335 0.0892821 -0.0093347 1.6831851 2 Cs 1.6055118 0.0480605 0.1485302 0.0356050 1.7425016 0.0021335 0.0892821 0.0093347 1.6831851 3 Cs 1.6055118 -0.0480605 0.1485302 -0.0356050 1.7425016 -0.0021335 0.0892821 -0.0093347 1.6831851 4 Cs 1.6055118 0.0480605 0.1485302 0.0356050 1.7425016 0.0021335 0.0892821 0.0093347 1.6831851 5 Re 0.5296744 0.1182811 0.0874215 0.0147340 -0.0300934 0.2373878 -0.2771097 1.0996561 2.0918825 6 Re 0.1701373 -0.7706150 -0.3291617 0.0491665 0.8682820 -0.6040885 0.1330553 -0.7055056 -0.2883640 7 Re 0.1701373 0.7706150 -0.3291617 -0.0491665 0.8682820 0.6040885 0.1330553 0.7055056 -0.2883640 8 Re 0.1701373 -0.7706150 -0.3291617 0.0491665 0.8682820 -0.6040885 0.1330553 -0.7055056 -0.2883640 9 Re 0.5296744 0.1182811 0.0874215 0.0147340 -0.0300934 0.2373878 -0.2771097 1.0996561 2.0918825 10 Re 0.5180081 0.0756530 0.1107095 -0.0660371 -0.0839016 0.2328958 -0.2522391 1.1505270 2.1352049 11 Re 0.5296744 -0.1182811 0.0874215 -0.0147340 -0.0300934 -0.2373878 -0.2771097 -1.0996561 2.0918825 12 Re -0.0197859 -0.7451929 0.3417987 0.1802885 -0.1707057 -0.1709405 -0.0648667 -1.2055404 0.7732801 13 Re 0.2222183 0.7680299 -0.3165648 -0.0296627 0.8048558 0.6095653 0.0831784 0.7138316 -0.2323487 14 Re 0.2222183 0.7680299 -0.3165648 -0.0296627 0.8048558 0.6095653 0.0831784 0.7138316 -0.2323487 15 Re -0.0636748 -0.7492152 0.3210355 0.1451220 -0.1532651 -0.1346887 0.0081582 -1.1303041 0.7855094 16 Re -0.0636748 0.7492152 0.3210355 -0.1451220 -0.1532651 0.1346887 0.0081582 1.1303041 0.7855094 17 Re -0.0197859 0.7451929 0.3417987 -0.1802885 -0.1707057 0.1709405 -0.0648667 1.2055404 0.7732801 18 Re -0.0197859 0.7451929 0.3417987 -0.1802885 -0.1707057 0.1709405 -0.0648667 1.2055404 0.7732801 19 Re 0.2222183 -0.7680299 -0.3165648 0.0296627 0.8048558 -0.6095653 0.0831784 -0.7138316 -0.2323487 20 Re 0.5296744 -0.1182811 0.0874215 -0.0147340 -0.0300934 -0.2373878 -0.2771097 -1.0996561 2.0918825 21 Re 0.5180081 -0.0756530 0.1107095 0.0660371 -0.0839016 -0.2328958 -0.2522391 -1.1505270 2.1352049 22 Re -0.0636748 -0.7492152 0.3210355 0.1451220 -0.1532651 -0.1346887 0.0081582 -1.1303041 0.7855094 23 Re 0.5180081 -0.0756530 0.1107095 0.0660371 -0.0839016 -0.2328958 -0.2522391 -1.1505270 2.1352049 24 Re -0.0197859 -0.7451929 0.3417987 0.1802885 -0.1707057 -0.1709405 -0.0648667 -1.2055404 0.7732801 25 Re 0.5180081 0.0756530 0.1107095 -0.0660371 -0.0839016 0.2328958 -0.2522391 1.1505270 2.1352049 26 Re 0.2222183 -0.7680299 -0.3165648 0.0296627 0.8048558 -0.6095653 0.0831784 -0.7138316 -0.2323487 27 Re -0.0636748 0.7492152 0.3210355 -0.1451220 -0.1532651 0.1346887 0.0081582 1.1303041 0.7855094 28 Re 0.1701373 0.7706150 -0.3291617 -0.0491665 0.8682820 0.6040885 0.1330553 0.7055056 -0.2883640 29 Se -0.6438108 0.0235762 0.2136539 -0.0743718 0.3011992 -0.2940887 -0.0502709 -0.8868599 -1.3499871 30 Se -0.1691051 0.0837620 -0.1128959 0.1013082 -0.1731030 0.2279678 0.1718379 0.5941735 -1.1868190 31 Se -0.1977884 0.6399472 -0.4790976 0.1425447 -0.4303039 0.2446168 -0.3671841 0.5618131 -0.2199201 32 Se -0.6455857 -0.0300044 0.2288725 0.0665342 0.2940978 0.3174150 -0.0227362 0.9446514 -1.3745674 33 Se -0.1954214 0.6759036 -0.4869700 0.2708175 -0.3067514 0.2291020 -0.3972010 0.4941317 -0.2352575 34 Se -0.1956023 -0.7717648 0.0923109 -0.4319505 0.1647716 -0.2336706 -0.0665342 -0.1501589 0.2071068 35 Se -0.2265331 -0.6980650 0.0681212 -0.2598669 0.2647942 -0.2303284 -0.1021614 -0.1401988 0.2076704 36 Se -0.1954214 -0.6759036 -0.4869700 -0.2708175 -0.3067514 -0.2291020 -0.3972010 -0.4941317 -0.2352575 37 Se -0.6438108 -0.0235762 0.2136539 0.0743718 0.3011992 0.2940887 -0.0502709 0.8868599 -1.3499871 38 Se -0.6455857 0.0300044 0.2288725 -0.0665342 0.2940978 -0.3174150 -0.0227362 -0.9446514 -1.3745674 39 Se -0.6438108 -0.0235762 0.2136539 0.0743718 0.3011992 0.2940887 -0.0502709 0.8868599 -1.3499871 40 Se -0.1977884 -0.6399472 -0.4790976 -0.1425447 -0.4303039 -0.2446168 -0.3671841 -0.5618131 -0.2199201 41 Se -0.1612332 -0.0677657 -0.1156287 -0.0933625 -0.1547688 -0.2211558 0.1923938 -0.6153426 -1.1735034 42 Se -0.1956023 -0.7717648 0.0923109 -0.4319505 0.1647716 -0.2336706 -0.0665342 -0.1501589 0.2071068 43 Se -0.1691051 -0.0837620 -0.1128959 -0.1013082 -0.1731030 -0.2279678 0.1718379 -0.5941735 -1.1868190 44 Se -0.1954214 -0.6759036 -0.4869700 -0.2708175 -0.3067514 -0.2291020 -0.3972010 -0.4941317 -0.2352575 45 Se -0.6455857 -0.0300044 0.2288725 0.0665342 0.2940978 0.3174150 -0.0227362 0.9446514 -1.3745674 46 Se -0.1612332 -0.0677657 -0.1156287 -0.0933625 -0.1547688 -0.2211558 0.1923938 -0.6153426 -1.1735034 47 Se -0.2265331 0.6980650 0.0681212 0.2598669 0.2647942 0.2303284 -0.1021614 0.1401988 0.2076704 48 Se -0.2265331 0.6980650 0.0681212 0.2598669 0.2647942 0.2303284 -0.1021614 0.1401988 0.2076704 49 Se -0.1612332 0.0677657 -0.1156287 0.0933625 -0.1547688 0.2211558 0.1923938 0.6153426 -1.1735034 50 Se -0.1612332 0.0677657 -0.1156287 0.0933625 -0.1547688 0.2211558 0.1923938 0.6153426 -1.1735034 51 Se -0.6438108 0.0235762 0.2136539 -0.0743718 0.3011992 -0.2940887 -0.0502709 -0.8868599 -1.3499871 52 Se -0.1691051 -0.0837620 -0.1128959 -0.1013082 -0.1731030 -0.2279678 0.1718379 -0.5941735 -1.1868190 53 Se -0.1954214 0.6759036 -0.4869700 0.2708175 -0.3067514 0.2291020 -0.3972010 0.4941317 -0.2352575 54 Se -0.1691051 0.0837620 -0.1128959 0.1013082 -0.1731030 0.2279678 0.1718379 0.5941735 -1.1868190 55 Se -0.1977884 -0.6399472 -0.4790976 -0.1425447 -0.4303039 -0.2446168 -0.3671841 -0.5618131 -0.2199201 56 Se -0.6455857 0.0300044 0.2288725 -0.0665342 0.2940978 -0.3174150 -0.0227362 -0.9446514 -1.3745674 57 Se -0.1977884 0.6399472 -0.4790976 0.1425447 -0.4303039 0.2446168 -0.3671841 0.5618131 -0.2199201 58 Se -0.1956023 0.7717648 0.0923109 0.4319505 0.1647716 0.2336706 -0.0665342 0.1501589 0.2071068 59 Se -0.2265331 -0.6980650 0.0681212 -0.2598669 0.2647942 -0.2303284 -0.1021614 -0.1401988 0.2076704 60 Se -0.1956023 0.7717648 0.0923109 0.4319505 0.1647716 0.2336706 -0.0665342 0.1501589 0.2071068 61 I 0.1506903 -0.0404778 0.1287900 -0.0556286 0.1123946 -0.0486793 0.4149336 -0.0195088 -1.1206318 62 I -0.3339555 -0.1585356 0.0570723 -0.3222978 -1.5051958 0.5468929 0.2698910 0.5317026 -0.3609004 63 I -0.3339555 0.1585356 0.0570723 0.3222978 -1.5051958 -0.5468929 0.2698910 -0.5317026 -0.3609004 64 I -0.3339555 0.1585356 0.0570723 0.3222978 -1.5051958 -0.5468929 0.2698910 -0.5317026 -0.3609004 65 I 0.1506903 -0.0404778 0.1287900 -0.0556286 0.1123946 -0.0486793 0.4149336 -0.0195088 -1.1206318 66 I -0.3339555 -0.1585356 0.0570723 -0.3222978 -1.5051958 0.5468929 0.2698910 0.5317026 -0.3609004 67 I -0.3437441 -0.1761865 0.0420024 -0.3506458 -1.5448081 0.5731974 0.2375730 0.4987810 -0.3415398 68 I -0.3437441 0.1761865 0.0420024 0.3506458 -1.5448081 -0.5731974 0.2375730 -0.4987810 -0.3415398 69 I -0.3437441 -0.1761865 0.0420024 -0.3506458 -1.5448081 0.5731974 0.2375730 0.4987810 -0.3415398 70 I 0.1506903 0.0404778 0.1287900 0.0556286 0.1123946 0.0486793 0.4149336 0.0195088 -1.1206318 71 I -0.3437441 0.1761865 0.0420024 0.3506458 -1.5448081 -0.5731974 0.2375730 -0.4987810 -0.3415398 72 I 0.1506903 0.0404778 0.1287900 0.0556286 0.1123946 0.0486793 0.4149336 0.0195088 -1.1206318----------------------------------------------------------------------------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: 432/432Permutation basis: 46872/46872Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 11880Number of blocks in projector: 11880Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 2592Use submatrix version of eigh solver.(1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found.(1) 465 eigenvectors found.(1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found.(1) 467 eigenvectors found.(1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 471 eigenvectors found.(1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 575 eigenvectors found.(1) Complementary block size: 137(1) Compute compressed projector.(1) Use standard solver.(1) 102 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 2592Use submatrix version of eigh solver.(1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found.(1) 464 eigenvectors found.(1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found.(1) 465 eigenvectors found.(1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 467 eigenvectors found.(1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 466 eigenvectors found.(1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 225 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found.(1) 567 eigenvectors found.(1) Complementary block size: 163(1) Compute compressed projector.(1) Use standard solver.(1) 127 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 2592Use submatrix version of eigh solver.(1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found.(1) 464 eigenvectors found.(1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found.(1) 465 eigenvectors found.(1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 467 eigenvectors found.(1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 466 eigenvectors found.(1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 225 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found.(1) 567 eigenvectors found.(1) Complementary block size: 163(1) Compute compressed projector.(1) Use standard solver.(1) 127 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 1368Use submatrix version of eigh solver.(1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1368 / 1368(1) 350 eigenvectors found.(1) Complementary block size: 51(1) Compute compressed projector.(1) Use standard solver.(1) 33 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 1368Use submatrix version of eigh solver.(1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1368 / 1368(1) 350 eigenvectors found.(1) Complementary block size: 51(1) Compute compressed projector.(1) Use standard solver.(1) 33 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 1368Use submatrix version of eigh solver.(1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1368 / 1368(1) 350 eigenvectors found.(1) Complementary block size: 50(1) Compute compressed projector.(1) Use standard solver.(1) 32 eigenvectors found.Tree of FC basis block matrices:- (11880, 11719), data: False|-- (1368, 1350), data: False |-- (1368, 32), data: (1368, 50) @ (50, 32) |-- (368, 350), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True|-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True|-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True|-- (2592, 2556), data: False |-- (2592, 127), data: (2592, 163) @ (163, 127) |-- (592, 567), data: False |-- (592, 32), data: (592, 57) @ (57, 32) |-- (92, 80), data: True |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 467), data: False |-- (500, 25), data: (500, 58) @ (58, 25) |-- (250, 225), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 215), data: True |-- (250, 219), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True|-- (2592, 2556), data: False |-- (2592, 127), data: (2592, 163) @ (163, 127) |-- (592, 567), data: False |-- (592, 32), data: (592, 57) @ (57, 32) |-- (92, 80), data: True |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 467), data: False |-- (500, 25), data: (500, 58) @ (58, 25) |-- (250, 225), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 215), data: True |-- (250, 219), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True|-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 33), data: (500, 68) @ (68, 33) |-- (250, 215), data: True |-- (250, 217), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 2160 - Time: 4.119Solver_block: 200 / 2160 - Time: 3.585Solver_block: 300 / 2160 - Time: 3.595Solver_block: 400 / 2160 - Time: 3.600Solver_block: 500 / 2160 - Time: 3.594Solver_block: 600 / 2160 - Time: 3.584Solver_block: 700 / 2160 - Time: 3.601Solver_block: 800 / 2160 - Time: 3.597Solver_block: 900 / 2160 - Time: 3.582Solver_block: 1000 / 2160 - Time: 3.598Solver_block: 1100 / 2160 - Time: 3.595Solver_block: 1200 / 2160 - Time: 3.602Solver_block: 1300 / 2160 - Time: 3.593Solver_block: 1400 / 2160 - Time: 3.587Solver_block: 1500 / 2160 - Time: 3.596Solver_block: 1600 / 2160 - Time: 3.581Solver_block: 1700 / 2160 - Time: 3.586Solver_block: 1800 / 2160 - Time: 3.601Solver_block: 1900 / 2160 - Time: 3.594Solver_block: 2000 / 2160 - Time: 3.602Solver_block: 2100 / 2160 - Time: 3.594Solver_block: 2160 / 2160 - Time: 2.312Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 80.794--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432Permutation basis: 46872/46872Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 11880Number of blocks in projector: 11880Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 2592Use submatrix version of eigh solver.(1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found.(1) 465 eigenvectors found.(1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found.(1) 467 eigenvectors found.(1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 471 eigenvectors found.(1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 575 eigenvectors found.(1) Complementary block size: 137(1) Compute compressed projector.(1) Use standard solver.(1) 102 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 2592Use submatrix version of eigh solver.(1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found.(1) 464 eigenvectors found.(1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found.(1) 465 eigenvectors found.(1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 467 eigenvectors found.(1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 466 eigenvectors found.(1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 225 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found.(1) 567 eigenvectors found.(1) Complementary block size: 163(1) Compute compressed projector.(1) Use standard solver.(1) 127 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 2592Use submatrix version of eigh solver.(1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found.(1) 464 eigenvectors found.(1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found.(1) 465 eigenvectors found.(1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 467 eigenvectors found.(1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 466 eigenvectors found.(1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 225 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found.(1) 567 eigenvectors found.(1) Complementary block size: 163(1) Compute compressed projector.(1) Use standard solver.(1) 127 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 1368Use submatrix version of eigh solver.(1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1368 / 1368(1) 350 eigenvectors found.(1) Complementary block size: 51(1) Compute compressed projector.(1) Use standard solver.(1) 33 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 1368Use submatrix version of eigh solver.(1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1368 / 1368(1) 350 eigenvectors found.(1) Complementary block size: 51(1) Compute compressed projector.(1) Use standard solver.(1) 33 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 1368Use submatrix version of eigh solver.(1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1368 / 1368(1) 350 eigenvectors found.(1) Complementary block size: 50(1) Compute compressed projector.(1) Use standard solver.(1) 32 eigenvectors found.Tree of FC basis block matrices:- (11880, 11719), data: False|-- (1368, 1350), data: False |-- (1368, 32), data: (1368, 50) @ (50, 32) |-- (368, 350), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True|-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True|-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True|-- (2592, 2556), data: False |-- (2592, 127), data: (2592, 163) @ (163, 127) |-- (592, 567), data: False |-- (592, 32), data: (592, 57) @ (57, 32) |-- (92, 80), data: True |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 467), data: False |-- (500, 25), data: (500, 58) @ (58, 25) |-- (250, 225), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 215), data: True |-- (250, 219), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True|-- (2592, 2556), data: False |-- (2592, 127), data: (2592, 163) @ (163, 127) |-- (592, 567), data: False |-- (592, 32), data: (592, 57) @ (57, 32) |-- (92, 80), data: True |-- (250, 230), data: True |-- (250, 225), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 467), data: False |-- (500, 25), data: (500, 58) @ (58, 25) |-- (250, 225), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 215), data: True |-- (250, 219), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True|-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 33), data: (500, 68) @ (68, 33) |-- (250, 215), data: True |-- (250, 217), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:45:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:45:59]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.531547800172720 0.000000000000000 0.000000000000000 b 0.000000000000000 19.603917400000000 0.000000000000000 c -4.485575327819928 0.000000000000000 15.725533061294474Atomic positions (fractional): 1 Cs 0.96664348619233 0.98086748801151 0.74861923203350 132.905 2 Cs 0.96664348619233 0.51913251198849 0.24861923203350 132.905 3 Cs 0.03335651380767 0.01913251198849 0.25138076796650 132.905 4 Cs 0.03335651380767 0.48086748801151 0.75138076796650 132.905 5 Re 0.82556418605117 0.26239673456622 0.54078702231905 186.207 6 Re 0.49492485320792 0.16293031453540 0.04657508466501 186.207 7 Re 0.50507514679208 0.66293031453540 0.45342491533499 186.207 8 Re 0.50507514679208 0.83706968546460 0.95342491533498 186.207 9 Re 0.17443581394883 0.73760326543378 0.45921297768095 186.207 10 Re 0.24235951537993 0.24205648462188 0.46165310564819 186.207 11 Re 0.17443581394883 0.76239673456622 0.95921297768095 186.207 12 Re 0.46984048680796 0.79131101287441 0.39746443440724 186.207 13 Re 0.42692895965511 0.83275496410160 0.54406952387812 186.207 14 Re 0.57307104034489 0.16724503589840 0.45593047612188 186.207 15 Re 0.46255928578074 0.70461441286796 0.60021126026255 186.207 16 Re 0.53744071421926 0.20461441286796 0.89978873973745 186.207 17 Re 0.53015951319204 0.29131101287441 0.10253556559276 186.207 18 Re 0.46984048680796 0.70868898712559 0.89746443440724 186.207 19 Re 0.42692895965511 0.66724503589840 0.04406952387812 186.207 20 Re 0.82556418605117 0.23760326543378 0.04078702231905 186.207 21 Re 0.24235951537993 0.25794351537812 0.96165310564819 186.207 22 Re 0.53744071421926 0.29538558713204 0.39978873973745 186.207 23 Re 0.75764048462007 0.74205648462188 0.03834689435181 186.207 24 Re 0.53015951319204 0.20868898712559 0.60253556559276 186.207 25 Re 0.75764048462007 0.75794351537812 0.53834689435181 186.207 26 Re 0.57307104034489 0.33275496410160 0.95593047612188 186.207 27 Re 0.46255928578074 0.79538558713204 0.10021126026255 186.207 28 Re 0.49492485320792 0.33706968546460 0.54657508466502 186.207 29 Se 0.84155540149075 0.22069138102496 0.39055602136169 78.960 30 Se 0.77209765310012 0.19785291710595 0.18006799713364 78.960 31 Se 0.84993035977796 0.14091402524807 0.59310934669833 78.960 32 Se 0.22654591696192 0.21630954395990 0.11195973557675 78.960 33 Se 0.21888730382339 0.36356450995486 0.40932207182515 78.960 34 Se 0.78317479429804 0.38332808912408 0.48734887367156 78.960 35 Se 0.28381772746673 0.12111366313106 0.51458039397440 78.960 36 Se 0.21888730382339 0.13643549004514 0.90932207182515 78.960 37 Se 0.84155540149075 0.27930861897504 0.89055602136169 78.960 38 Se 0.22654591696192 0.28369045604010 0.61195973557675 78.960 39 Se 0.15844459850925 0.72069138102496 0.10944397863831 78.960 40 Se 0.15006964022204 0.64091402524807 0.90689065330167 78.960 41 Se 0.29535696305622 0.20187301392693 0.32263538902498 78.960 42 Se 0.21682520570196 0.61667191087592 0.51265112632844 78.960 43 Se 0.22790234689989 0.69785291710595 0.31993200286636 78.960 44 Se 0.78111269617661 0.86356450995486 0.09067792817485 78.960 45 Se 0.77345408303808 0.78369045604010 0.88804026442325 78.960 46 Se 0.70464303694378 0.79812698607307 0.67736461097502 78.960 47 Se 0.71618227253327 0.62111366313106 0.98541960602560 78.960 48 Se 0.28381772746673 0.37888633686894 0.01458039397440 78.960 49 Se 0.29535696305622 0.29812698607307 0.82263538902498 78.960 50 Se 0.70464303694378 0.70187301392693 0.17736461097502 78.960 51 Se 0.15844459850925 0.77930861897504 0.60944397863831 78.960 52 Se 0.77209765310012 0.30214708289405 0.68006799713364 78.960 53 Se 0.78111269617661 0.63643549004514 0.59067792817485 78.960 54 Se 0.22790234689989 0.80214708289405 0.81993200286636 78.960 55 Se 0.84993035977796 0.35908597475193 0.09310934669833 78.960 56 Se 0.77345408303808 0.71630954395990 0.38804026442325 78.960 57 Se 0.15006964022204 0.85908597475193 0.40689065330167 78.960 58 Se 0.21682520570196 0.88332808912408 0.01265112632844 78.960 59 Se 0.71618227253327 0.87888633686894 0.48541960602560 78.960 60 Se 0.78317479429804 0.11667191087593 0.98734887367156 78.960 61 I 0.52848063281761 0.36485228263775 0.24942006220925 126.904 62 I 0.37490019759021 0.54261839781050 0.11210975050138 126.904 63 I 0.37490019759021 0.95738160218950 0.61210975050137 126.904 64 I 0.62509980240979 0.04261839781050 0.38789024949862 126.904 65 I 0.47151936718239 0.63514771736225 0.75057993779075 126.904 66 I 0.62509980240979 0.45738160218950 0.88789024949863 126.904 67 I 0.55678411187984 0.96155795935180 0.88471018262655 126.904 68 I 0.55678411187984 0.53844204064820 0.38471018262655 126.904 69 I 0.44321588812016 0.03844204064820 0.11528981737345 126.904 70 I 0.47151936718239 0.86485228263775 0.25057993779075 126.904 71 I 0.44321588812016 0.46155795935180 0.61528981737345 126.904 72 I 0.52848063281761 0.13514771736225 0.74942006220925 126.904-------------------------------- supercell ---------------------------------Lattice vectors: a 13.063095600345440 0.000000000000000 0.000000000000000 b 0.000000000000000 19.603917400000000 0.000000000000000 c -4.485575327819928 0.000000000000000 15.725533061294474Atomic positions (fractional): 1 Cs 0.48332174309617 0.98086748801151 0.74861923203350 132.905 > 1 2 Cs 0.98332174309617 0.98086748801151 0.74861923203350 132.905 > 1 3 Cs 0.48332174309617 0.51913251198849 0.24861923203350 132.905 > 3 4 Cs 0.98332174309617 0.51913251198849 0.24861923203350 132.905 > 3 5 Cs 0.01667825690383 0.01913251198849 0.25138076796650 132.905 > 5 6 Cs 0.51667825690383 0.01913251198849 0.25138076796650 132.905 > 5 7 Cs 0.01667825690383 0.48086748801151 0.75138076796650 132.905 > 7 8 Cs 0.51667825690383 0.48086748801151 0.75138076796650 132.905 > 7 9 Re 0.41278209302559 0.26239673456622 0.54078702231905 186.207 > 9 10 Re 0.91278209302559 0.26239673456622 0.54078702231905 186.207 > 9 11 Re 0.24746242660396 0.16293031453540 0.04657508466501 186.207 > 11 12 Re 0.74746242660396 0.16293031453540 0.04657508466501 186.207 > 11 13 Re 0.25253757339604 0.66293031453540 0.45342491533499 186.207 > 13 14 Re 0.75253757339604 0.66293031453540 0.45342491533499 186.207 > 13 15 Re 0.25253757339604 0.83706968546460 0.95342491533498 186.207 > 15 16 Re 0.75253757339604 0.83706968546460 0.95342491533498 186.207 > 15 17 Re 0.08721790697441 0.73760326543378 0.45921297768095 186.207 > 17 18 Re 0.58721790697441 0.73760326543378 0.45921297768095 186.207 > 17 19 Re 0.12117975768996 0.24205648462188 0.46165310564819 186.207 > 19 20 Re 0.62117975768996 0.24205648462188 0.46165310564819 186.207 > 19 21 Re 0.08721790697441 0.76239673456622 0.95921297768095 186.207 > 21 22 Re 0.58721790697441 0.76239673456622 0.95921297768095 186.207 > 21 23 Re 0.23492024340398 0.79131101287441 0.39746443440724 186.207 > 23 24 Re 0.73492024340398 0.79131101287441 0.39746443440724 186.207 > 23 25 Re 0.21346447982756 0.83275496410160 0.54406952387812 186.207 > 25 26 Re 0.71346447982756 0.83275496410160 0.54406952387812 186.207 > 25 27 Re 0.28653552017244 0.16724503589840 0.45593047612188 186.207 > 27 28 Re 0.78653552017244 0.16724503589840 0.45593047612188 186.207 > 27 29 Re 0.23127964289037 0.70461441286796 0.60021126026255 186.207 > 29 30 Re 0.73127964289037 0.70461441286796 0.60021126026255 186.207 > 29 31 Re 0.26872035710963 0.20461441286796 0.89978873973745 186.207 > 31 32 Re 0.76872035710963 0.20461441286796 0.89978873973745 186.207 > 31 33 Re 0.26507975659602 0.29131101287441 0.10253556559276 186.207 > 33 34 Re 0.76507975659602 0.29131101287441 0.10253556559276 186.207 > 33 35 Re 0.23492024340398 0.70868898712559 0.89746443440724 186.207 > 35 36 Re 0.73492024340398 0.70868898712559 0.89746443440724 186.207 > 35 37 Re 0.21346447982756 0.66724503589840 0.04406952387812 186.207 > 37 38 Re 0.71346447982756 0.66724503589840 0.04406952387812 186.207 > 37 39 Re 0.41278209302559 0.23760326543378 0.04078702231905 186.207 > 39 40 Re 0.91278209302559 0.23760326543378 0.04078702231905 186.207 > 39 41 Re 0.12117975768996 0.25794351537812 0.96165310564819 186.207 > 41 42 Re 0.62117975768996 0.25794351537812 0.96165310564819 186.207 > 41 43 Re 0.26872035710963 0.29538558713204 0.39978873973745 186.207 > 43 44 Re 0.76872035710963 0.29538558713204 0.39978873973745 186.207 > 43 45 Re 0.37882024231004 0.74205648462188 0.03834689435181 186.207 > 45 46 Re 0.87882024231004 0.74205648462188 0.03834689435181 186.207 > 45 47 Re 0.26507975659602 0.20868898712559 0.60253556559276 186.207 > 47 48 Re 0.76507975659602 0.20868898712559 0.60253556559276 186.207 > 47 49 Re 0.37882024231004 0.75794351537812 0.53834689435181 186.207 > 49 50 Re 0.87882024231004 0.75794351537812 0.53834689435181 186.207 > 49 51 Re 0.28653552017244 0.33275496410160 0.95593047612188 186.207 > 51 52 Re 0.78653552017244 0.33275496410160 0.95593047612188 186.207 > 51 53 Re 0.23127964289037 0.79538558713204 0.10021126026255 186.207 > 53 54 Re 0.73127964289037 0.79538558713204 0.10021126026255 186.207 > 53 55 Re 0.24746242660396 0.33706968546460 0.54657508466502 186.207 > 55 56 Re 0.74746242660396 0.33706968546460 0.54657508466502 186.207 > 55 57 Se 0.42077770074538 0.22069138102496 0.39055602136169 78.960 > 57 58 Se 0.92077770074538 0.22069138102496 0.39055602136169 78.960 > 57 59 Se 0.38604882655006 0.19785291710595 0.18006799713364 78.960 > 59 60 Se 0.88604882655006 0.19785291710595 0.18006799713364 78.960 > 59 61 Se 0.42496517988898 0.14091402524807 0.59310934669833 78.960 > 61 62 Se 0.92496517988898 0.14091402524807 0.59310934669833 78.960 > 61 63 Se 0.11327295848096 0.21630954395990 0.11195973557675 78.960 > 63 64 Se 0.61327295848096 0.21630954395990 0.11195973557675 78.960 > 63 65 Se 0.10944365191170 0.36356450995486 0.40932207182515 78.960 > 65 66 Se 0.60944365191170 0.36356450995486 0.40932207182515 78.960 > 65 67 Se 0.39158739714902 0.38332808912408 0.48734887367156 78.960 > 67 68 Se 0.89158739714902 0.38332808912408 0.48734887367156 78.960 > 67 69 Se 0.14190886373336 0.12111366313106 0.51458039397440 78.960 > 69 70 Se 0.64190886373336 0.12111366313106 0.51458039397440 78.960 > 69 71 Se 0.10944365191170 0.13643549004514 0.90932207182515 78.960 > 71 72 Se 0.60944365191170 0.13643549004514 0.90932207182515 78.960 > 71 73 Se 0.42077770074538 0.27930861897504 0.89055602136169 78.960 > 73 74 Se 0.92077770074538 0.27930861897504 0.89055602136169 78.960 > 73 75 Se 0.11327295848096 0.28369045604010 0.61195973557675 78.960 > 75 76 Se 0.61327295848096 0.28369045604010 0.61195973557675 78.960 > 75 77 Se 0.07922229925462 0.72069138102496 0.10944397863831 78.960 > 77 78 Se 0.57922229925462 0.72069138102496 0.10944397863831 78.960 > 77 79 Se 0.07503482011102 0.64091402524807 0.90689065330167 78.960 > 79 80 Se 0.57503482011102 0.64091402524807 0.90689065330167 78.960 > 79 81 Se 0.14767848152811 0.20187301392693 0.32263538902498 78.960 > 81 82 Se 0.64767848152811 0.20187301392693 0.32263538902498 78.960 > 81 83 Se 0.10841260285098 0.61667191087592 0.51265112632844 78.960 > 83 84 Se 0.60841260285098 0.61667191087592 0.51265112632844 78.960 > 83 85 Se 0.11395117344994 0.69785291710595 0.31993200286636 78.960 > 85 86 Se 0.61395117344994 0.69785291710595 0.31993200286636 78.960 > 85 87 Se 0.39055634808830 0.86356450995486 0.09067792817485 78.960 > 87 88 Se 0.89055634808830 0.86356450995486 0.09067792817485 78.960 > 87 89 Se 0.38672704151904 0.78369045604010 0.88804026442325 78.960 > 89 90 Se 0.88672704151904 0.78369045604010 0.88804026442325 78.960 > 89 91 Se 0.35232151847189 0.79812698607307 0.67736461097502 78.960 > 91 92 Se 0.85232151847189 0.79812698607307 0.67736461097502 78.960 > 91 93 Se 0.35809113626664 0.62111366313106 0.98541960602560 78.960 > 93 94 Se 0.85809113626664 0.62111366313106 0.98541960602560 78.960 > 93 95 Se 0.14190886373336 0.37888633686894 0.01458039397440 78.960 > 95 96 Se 0.64190886373336 0.37888633686894 0.01458039397440 78.960 > 95 97 Se 0.14767848152811 0.29812698607307 0.82263538902498 78.960 > 97 98 Se 0.64767848152811 0.29812698607307 0.82263538902498 78.960 > 97 99 Se 0.35232151847189 0.70187301392693 0.17736461097502 78.960 > 99 100 Se 0.85232151847189 0.70187301392693 0.17736461097502 78.960 > 99 101 Se 0.07922229925462 0.77930861897504 0.60944397863831 78.960 > 101 102 Se 0.57922229925462 0.77930861897504 0.60944397863831 78.960 > 101 103 Se 0.38604882655006 0.30214708289405 0.68006799713364 78.960 > 103 104 Se 0.88604882655006 0.30214708289405 0.68006799713364 78.960 > 103 105 Se 0.39055634808830 0.63643549004514 0.59067792817485 78.960 > 105 106 Se 0.89055634808830 0.63643549004514 0.59067792817485 78.960 > 105 107 Se 0.11395117344994 0.80214708289405 0.81993200286636 78.960 > 107 108 Se 0.61395117344994 0.80214708289405 0.81993200286636 78.960 > 107 109 Se 0.42496517988898 0.35908597475193 0.09310934669833 78.960 > 109 110 Se 0.92496517988898 0.35908597475193 0.09310934669833 78.960 > 109 111 Se 0.38672704151904 0.71630954395990 0.38804026442325 78.960 > 111 112 Se 0.88672704151904 0.71630954395990 0.38804026442325 78.960 > 111 113 Se 0.07503482011102 0.85908597475193 0.40689065330167 78.960 > 113 114 Se 0.57503482011102 0.85908597475193 0.40689065330167 78.960 > 113 115 Se 0.10841260285098 0.88332808912408 0.01265112632844 78.960 > 115 116 Se 0.60841260285098 0.88332808912408 0.01265112632844 78.960 > 115 117 Se 0.35809113626664 0.87888633686894 0.48541960602560 78.960 > 117 118 Se 0.85809113626664 0.87888633686894 0.48541960602560 78.960 > 117 119 Se 0.39158739714902 0.11667191087593 0.98734887367156 78.960 > 119 120 Se 0.89158739714902 0.11667191087593 0.98734887367156 78.960 > 119 121 I 0.26424031640881 0.36485228263775 0.24942006220925 126.904 > 121 122 I 0.76424031640881 0.36485228263775 0.24942006220925 126.904 > 121 123 I 0.18745009879511 0.54261839781050 0.11210975050138 126.904 > 123 124 I 0.68745009879511 0.54261839781050 0.11210975050138 126.904 > 123 125 I 0.18745009879511 0.95738160218950 0.61210975050137 126.904 > 125 126 I 0.68745009879511 0.95738160218950 0.61210975050137 126.904 > 125 127 I 0.31254990120489 0.04261839781050 0.38789024949862 126.904 > 127 128 I 0.81254990120489 0.04261839781050 0.38789024949862 126.904 > 127 129 I 0.23575968359119 0.63514771736225 0.75057993779075 126.904 > 129 130 I 0.73575968359119 0.63514771736225 0.75057993779075 126.904 > 129 131 I 0.31254990120489 0.45738160218950 0.88789024949863 126.904 > 131 132 I 0.81254990120489 0.45738160218950 0.88789024949863 126.904 > 131 133 I 0.27839205593992 0.96155795935180 0.88471018262655 126.904 > 133 134 I 0.77839205593992 0.96155795935180 0.88471018262655 126.904 > 133 135 I 0.27839205593992 0.53844204064820 0.38471018262655 126.904 > 135 136 I 0.77839205593992 0.53844204064820 0.38471018262655 126.904 > 135 137 I 0.22160794406008 0.03844204064820 0.11528981737345 126.904 > 137 138 I 0.72160794406008 0.03844204064820 0.11528981737345 126.904 > 137 139 I 0.23575968359119 0.86485228263775 0.25057993779075 126.904 > 139 140 I 0.73575968359119 0.86485228263775 0.25057993779075 126.904 > 139 141 I 0.22160794406008 0.46155795935180 0.61528981737345 126.904 > 141 142 I 0.72160794406008 0.46155795935180 0.61528981737345 126.904 > 141 143 I 0.26424031640881 0.13514771736225 0.74942006220925 126.904 > 143 144 I 0.76424031640881 0.13514771736225 0.74942006220925 126.904 > 143----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.2860962 0.0000000 -0.2494448 0.0000000 6.3764680 0.0000000 -0.2494504 0.0000000 9.1208363-------------------------- Born effective charges -------------------------- 1 Cs 1.6055118 -0.0480605 0.1485302 -0.0356050 1.7425016 -0.0021335 0.0892821 -0.0093347 1.6831851 2 Cs 1.6055118 0.0480605 0.1485302 0.0356050 1.7425016 0.0021335 0.0892821 0.0093347 1.6831851 3 Cs 1.6055118 -0.0480605 0.1485302 -0.0356050 1.7425016 -0.0021335 0.0892821 -0.0093347 1.6831851 4 Cs 1.6055118 0.0480605 0.1485302 0.0356050 1.7425016 0.0021335 0.0892821 0.0093347 1.6831851 5 Re 0.5296744 0.1182811 0.0874215 0.0147340 -0.0300934 0.2373878 -0.2771097 1.0996561 2.0918825 6 Re 0.1701373 -0.7706150 -0.3291617 0.0491665 0.8682820 -0.6040885 0.1330553 -0.7055056 -0.2883640 7 Re 0.1701373 0.7706150 -0.3291617 -0.0491665 0.8682820 0.6040885 0.1330553 0.7055056 -0.2883640 8 Re 0.1701373 -0.7706150 -0.3291617 0.0491665 0.8682820 -0.6040885 0.1330553 -0.7055056 -0.2883640 9 Re 0.5296744 0.1182811 0.0874215 0.0147340 -0.0300934 0.2373878 -0.2771097 1.0996561 2.0918825 10 Re 0.5180081 0.0756530 0.1107095 -0.0660371 -0.0839016 0.2328958 -0.2522391 1.1505270 2.1352049 11 Re 0.5296744 -0.1182811 0.0874215 -0.0147340 -0.0300934 -0.2373878 -0.2771097 -1.0996561 2.0918825 12 Re -0.0197859 -0.7451929 0.3417987 0.1802885 -0.1707057 -0.1709405 -0.0648667 -1.2055404 0.7732801 13 Re 0.2222183 0.7680299 -0.3165648 -0.0296627 0.8048558 0.6095653 0.0831784 0.7138316 -0.2323487 14 Re 0.2222183 0.7680299 -0.3165648 -0.0296627 0.8048558 0.6095653 0.0831784 0.7138316 -0.2323487 15 Re -0.0636748 -0.7492152 0.3210355 0.1451220 -0.1532651 -0.1346887 0.0081582 -1.1303041 0.7855094 16 Re -0.0636748 0.7492152 0.3210355 -0.1451220 -0.1532651 0.1346887 0.0081582 1.1303041 0.7855094 17 Re -0.0197859 0.7451929 0.3417987 -0.1802885 -0.1707057 0.1709405 -0.0648667 1.2055404 0.7732801 18 Re -0.0197859 0.7451929 0.3417987 -0.1802885 -0.1707057 0.1709405 -0.0648667 1.2055404 0.7732801 19 Re 0.2222183 -0.7680299 -0.3165648 0.0296627 0.8048558 -0.6095653 0.0831784 -0.7138316 -0.2323487 20 Re 0.5296744 -0.1182811 0.0874215 -0.0147340 -0.0300934 -0.2373878 -0.2771097 -1.0996561 2.0918825 21 Re 0.5180081 -0.0756530 0.1107095 0.0660371 -0.0839016 -0.2328958 -0.2522391 -1.1505270 2.1352049 22 Re -0.0636748 -0.7492152 0.3210355 0.1451220 -0.1532651 -0.1346887 0.0081582 -1.1303041 0.7855094 23 Re 0.5180081 -0.0756530 0.1107095 0.0660371 -0.0839016 -0.2328958 -0.2522391 -1.1505270 2.1352049 24 Re -0.0197859 -0.7451929 0.3417987 0.1802885 -0.1707057 -0.1709405 -0.0648667 -1.2055404 0.7732801 25 Re 0.5180081 0.0756530 0.1107095 -0.0660371 -0.0839016 0.2328958 -0.2522391 1.1505270 2.1352049 26 Re 0.2222183 -0.7680299 -0.3165648 0.0296627 0.8048558 -0.6095653 0.0831784 -0.7138316 -0.2323487 27 Re -0.0636748 0.7492152 0.3210355 -0.1451220 -0.1532651 0.1346887 0.0081582 1.1303041 0.7855094 28 Re 0.1701373 0.7706150 -0.3291617 -0.0491665 0.8682820 0.6040885 0.1330553 0.7055056 -0.2883640 29 Se -0.6438108 0.0235762 0.2136539 -0.0743718 0.3011992 -0.2940887 -0.0502709 -0.8868599 -1.3499871 30 Se -0.1691051 0.0837620 -0.1128959 0.1013082 -0.1731030 0.2279678 0.1718379 0.5941735 -1.1868190 31 Se -0.1977884 0.6399472 -0.4790976 0.1425447 -0.4303039 0.2446168 -0.3671841 0.5618131 -0.2199201 32 Se -0.6455857 -0.0300044 0.2288725 0.0665342 0.2940978 0.3174150 -0.0227362 0.9446514 -1.3745674 33 Se -0.1954214 0.6759036 -0.4869700 0.2708175 -0.3067514 0.2291020 -0.3972010 0.4941317 -0.2352575 34 Se -0.1956023 -0.7717648 0.0923109 -0.4319505 0.1647716 -0.2336706 -0.0665342 -0.1501589 0.2071068 35 Se -0.2265331 -0.6980650 0.0681212 -0.2598669 0.2647942 -0.2303284 -0.1021614 -0.1401988 0.2076704 36 Se -0.1954214 -0.6759036 -0.4869700 -0.2708175 -0.3067514 -0.2291020 -0.3972010 -0.4941317 -0.2352575 37 Se -0.6438108 -0.0235762 0.2136539 0.0743718 0.3011992 0.2940887 -0.0502709 0.8868599 -1.3499871 38 Se -0.6455857 0.0300044 0.2288725 -0.0665342 0.2940978 -0.3174150 -0.0227362 -0.9446514 -1.3745674 39 Se -0.6438108 -0.0235762 0.2136539 0.0743718 0.3011992 0.2940887 -0.0502709 0.8868599 -1.3499871 40 Se -0.1977884 -0.6399472 -0.4790976 -0.1425447 -0.4303039 -0.2446168 -0.3671841 -0.5618131 -0.2199201 41 Se -0.1612332 -0.0677657 -0.1156287 -0.0933625 -0.1547688 -0.2211558 0.1923938 -0.6153426 -1.1735034 42 Se -0.1956023 -0.7717648 0.0923109 -0.4319505 0.1647716 -0.2336706 -0.0665342 -0.1501589 0.2071068 43 Se -0.1691051 -0.0837620 -0.1128959 -0.1013082 -0.1731030 -0.2279678 0.1718379 -0.5941735 -1.1868190 44 Se -0.1954214 -0.6759036 -0.4869700 -0.2708175 -0.3067514 -0.2291020 -0.3972010 -0.4941317 -0.2352575 45 Se -0.6455857 -0.0300044 0.2288725 0.0665342 0.2940978 0.3174150 -0.0227362 0.9446514 -1.3745674 46 Se -0.1612332 -0.0677657 -0.1156287 -0.0933625 -0.1547688 -0.2211558 0.1923938 -0.6153426 -1.1735034 47 Se -0.2265331 0.6980650 0.0681212 0.2598669 0.2647942 0.2303284 -0.1021614 0.1401988 0.2076704 48 Se -0.2265331 0.6980650 0.0681212 0.2598669 0.2647942 0.2303284 -0.1021614 0.1401988 0.2076704 49 Se -0.1612332 0.0677657 -0.1156287 0.0933625 -0.1547688 0.2211558 0.1923938 0.6153426 -1.1735034 50 Se -0.1612332 0.0677657 -0.1156287 0.0933625 -0.1547688 0.2211558 0.1923938 0.6153426 -1.1735034 51 Se -0.6438108 0.0235762 0.2136539 -0.0743718 0.3011992 -0.2940887 -0.0502709 -0.8868599 -1.3499871 52 Se -0.1691051 -0.0837620 -0.1128959 -0.1013082 -0.1731030 -0.2279678 0.1718379 -0.5941735 -1.1868190 53 Se -0.1954214 0.6759036 -0.4869700 0.2708175 -0.3067514 0.2291020 -0.3972010 0.4941317 -0.2352575 54 Se -0.1691051 0.0837620 -0.1128959 0.1013082 -0.1731030 0.2279678 0.1718379 0.5941735 -1.1868190 55 Se -0.1977884 -0.6399472 -0.4790976 -0.1425447 -0.4303039 -0.2446168 -0.3671841 -0.5618131 -0.2199201 56 Se -0.6455857 0.0300044 0.2288725 -0.0665342 0.2940978 -0.3174150 -0.0227362 -0.9446514 -1.3745674 57 Se -0.1977884 0.6399472 -0.4790976 0.1425447 -0.4303039 0.2446168 -0.3671841 0.5618131 -0.2199201 58 Se -0.1956023 0.7717648 0.0923109 0.4319505 0.1647716 0.2336706 -0.0665342 0.1501589 0.2071068 59 Se -0.2265331 -0.6980650 0.0681212 -0.2598669 0.2647942 -0.2303284 -0.1021614 -0.1401988 0.2076704 60 Se -0.1956023 0.7717648 0.0923109 0.4319505 0.1647716 0.2336706 -0.0665342 0.1501589 0.2071068 61 I 0.1506903 -0.0404778 0.1287900 -0.0556286 0.1123946 -0.0486793 0.4149336 -0.0195088 -1.1206318 62 I -0.3339555 -0.1585356 0.0570723 -0.3222978 -1.5051958 0.5468929 0.2698910 0.5317026 -0.3609004 63 I -0.3339555 0.1585356 0.0570723 0.3222978 -1.5051958 -0.5468929 0.2698910 -0.5317026 -0.3609004 64 I -0.3339555 0.1585356 0.0570723 0.3222978 -1.5051958 -0.5468929 0.2698910 -0.5317026 -0.3609004 65 I 0.1506903 -0.0404778 0.1287900 -0.0556286 0.1123946 -0.0486793 0.4149336 -0.0195088 -1.1206318 66 I -0.3339555 -0.1585356 0.0570723 -0.3222978 -1.5051958 0.5468929 0.2698910 0.5317026 -0.3609004 67 I -0.3437441 -0.1761865 0.0420024 -0.3506458 -1.5448081 0.5731974 0.2375730 0.4987810 -0.3415398 68 I -0.3437441 0.1761865 0.0420024 0.3506458 -1.5448081 -0.5731974 0.2375730 -0.4987810 -0.3415398 69 I -0.3437441 -0.1761865 0.0420024 -0.3506458 -1.5448081 0.5731974 0.2375730 0.4987810 -0.3415398 70 I 0.1506903 0.0404778 0.1287900 0.0556286 0.1123946 0.0486793 0.4149336 0.0195088 -1.1206318 71 I -0.3437441 0.1761865 0.0420024 0.3506458 -1.5448081 -0.5731974 0.2375730 -0.4987810 -0.3415398 72 I 0.1506903 0.0404778 0.1287900 0.0556286 0.1123946 0.0486793 0.4149336 0.0195088 -1.1206318----------------------------------------------------------------------------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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 11, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 19, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 23, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 29, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 59, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 63, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 67, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 69, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 121, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 123, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Computing fc3[ 133, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:48:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:48:06]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.531547800172720 0.000000000000000 0.000000000000000 b 0.000000000000000 19.603917400000000 0.000000000000000 c -4.485575327819928 0.000000000000000 15.725533061294474Atomic positions (fractional): 1 Cs 0.96664348619233 0.98086748801151 0.74861923203350 132.905 2 Cs 0.96664348619233 0.51913251198849 0.24861923203350 132.905 3 Cs 0.03335651380767 0.01913251198849 0.25138076796650 132.905 4 Cs 0.03335651380767 0.48086748801151 0.75138076796650 132.905 5 Re 0.82556418605117 0.26239673456622 0.54078702231905 186.207 6 Re 0.49492485320792 0.16293031453540 0.04657508466501 186.207 7 Re 0.50507514679208 0.66293031453540 0.45342491533499 186.207 8 Re 0.50507514679208 0.83706968546460 0.95342491533498 186.207 9 Re 0.17443581394883 0.73760326543378 0.45921297768095 186.207 10 Re 0.24235951537993 0.24205648462188 0.46165310564819 186.207 11 Re 0.17443581394883 0.76239673456622 0.95921297768095 186.207 12 Re 0.46984048680796 0.79131101287441 0.39746443440724 186.207 13 Re 0.42692895965511 0.83275496410160 0.54406952387812 186.207 14 Re 0.57307104034489 0.16724503589840 0.45593047612188 186.207 15 Re 0.46255928578074 0.70461441286796 0.60021126026255 186.207 16 Re 0.53744071421926 0.20461441286796 0.89978873973745 186.207 17 Re 0.53015951319204 0.29131101287441 0.10253556559276 186.207 18 Re 0.46984048680796 0.70868898712559 0.89746443440724 186.207 19 Re 0.42692895965511 0.66724503589840 0.04406952387812 186.207 20 Re 0.82556418605117 0.23760326543378 0.04078702231905 186.207 21 Re 0.24235951537993 0.25794351537812 0.96165310564819 186.207 22 Re 0.53744071421926 0.29538558713204 0.39978873973745 186.207 23 Re 0.75764048462007 0.74205648462188 0.03834689435181 186.207 24 Re 0.53015951319204 0.20868898712559 0.60253556559276 186.207 25 Re 0.75764048462007 0.75794351537812 0.53834689435181 186.207 26 Re 0.57307104034489 0.33275496410160 0.95593047612188 186.207 27 Re 0.46255928578074 0.79538558713204 0.10021126026255 186.207 28 Re 0.49492485320792 0.33706968546460 0.54657508466502 186.207 29 Se 0.84155540149075 0.22069138102496 0.39055602136169 78.960 30 Se 0.77209765310012 0.19785291710595 0.18006799713364 78.960 31 Se 0.84993035977796 0.14091402524807 0.59310934669833 78.960 32 Se 0.22654591696192 0.21630954395990 0.11195973557675 78.960 33 Se 0.21888730382339 0.36356450995486 0.40932207182515 78.960 34 Se 0.78317479429804 0.38332808912408 0.48734887367156 78.960 35 Se 0.28381772746673 0.12111366313106 0.51458039397440 78.960 36 Se 0.21888730382339 0.13643549004514 0.90932207182515 78.960 37 Se 0.84155540149075 0.27930861897504 0.89055602136169 78.960 38 Se 0.22654591696192 0.28369045604010 0.61195973557675 78.960 39 Se 0.15844459850925 0.72069138102496 0.10944397863831 78.960 40 Se 0.15006964022204 0.64091402524807 0.90689065330167 78.960 41 Se 0.29535696305622 0.20187301392693 0.32263538902498 78.960 42 Se 0.21682520570196 0.61667191087592 0.51265112632844 78.960 43 Se 0.22790234689989 0.69785291710595 0.31993200286636 78.960 44 Se 0.78111269617661 0.86356450995486 0.09067792817485 78.960 45 Se 0.77345408303808 0.78369045604010 0.88804026442325 78.960 46 Se 0.70464303694378 0.79812698607307 0.67736461097502 78.960 47 Se 0.71618227253327 0.62111366313106 0.98541960602560 78.960 48 Se 0.28381772746673 0.37888633686894 0.01458039397440 78.960 49 Se 0.29535696305622 0.29812698607307 0.82263538902498 78.960 50 Se 0.70464303694378 0.70187301392693 0.17736461097502 78.960 51 Se 0.15844459850925 0.77930861897504 0.60944397863831 78.960 52 Se 0.77209765310012 0.30214708289405 0.68006799713364 78.960 53 Se 0.78111269617661 0.63643549004514 0.59067792817485 78.960 54 Se 0.22790234689989 0.80214708289405 0.81993200286636 78.960 55 Se 0.84993035977796 0.35908597475193 0.09310934669833 78.960 56 Se 0.77345408303808 0.71630954395990 0.38804026442325 78.960 57 Se 0.15006964022204 0.85908597475193 0.40689065330167 78.960 58 Se 0.21682520570196 0.88332808912408 0.01265112632844 78.960 59 Se 0.71618227253327 0.87888633686894 0.48541960602560 78.960 60 Se 0.78317479429804 0.11667191087593 0.98734887367156 78.960 61 I 0.52848063281761 0.36485228263775 0.24942006220925 126.904 62 I 0.37490019759021 0.54261839781050 0.11210975050138 126.904 63 I 0.37490019759021 0.95738160218950 0.61210975050137 126.904 64 I 0.62509980240979 0.04261839781050 0.38789024949862 126.904 65 I 0.47151936718239 0.63514771736225 0.75057993779075 126.904 66 I 0.62509980240979 0.45738160218950 0.88789024949863 126.904 67 I 0.55678411187984 0.96155795935180 0.88471018262655 126.904 68 I 0.55678411187984 0.53844204064820 0.38471018262655 126.904 69 I 0.44321588812016 0.03844204064820 0.11528981737345 126.904 70 I 0.47151936718239 0.86485228263775 0.25057993779075 126.904 71 I 0.44321588812016 0.46155795935180 0.61528981737345 126.904 72 I 0.52848063281761 0.13514771736225 0.74942006220925 126.904-------------------------------- supercell ---------------------------------Lattice vectors: a 13.063095600345440 0.000000000000000 0.000000000000000 b 0.000000000000000 19.603917400000000 0.000000000000000 c -4.485575327819928 0.000000000000000 15.725533061294474Atomic positions (fractional): 1 Cs 0.48332174309617 0.98086748801151 0.74861923203350 132.905 > 1 2 Cs 0.98332174309617 0.98086748801151 0.74861923203350 132.905 > 1 3 Cs 0.48332174309617 0.51913251198849 0.24861923203350 132.905 > 3 4 Cs 0.98332174309617 0.51913251198849 0.24861923203350 132.905 > 3 5 Cs 0.01667825690383 0.01913251198849 0.25138076796650 132.905 > 5 6 Cs 0.51667825690383 0.01913251198849 0.25138076796650 132.905 > 5 7 Cs 0.01667825690383 0.48086748801151 0.75138076796650 132.905 > 7 8 Cs 0.51667825690383 0.48086748801151 0.75138076796650 132.905 > 7 9 Re 0.41278209302559 0.26239673456622 0.54078702231905 186.207 > 9 10 Re 0.91278209302559 0.26239673456622 0.54078702231905 186.207 > 9 11 Re 0.24746242660396 0.16293031453540 0.04657508466501 186.207 > 11 12 Re 0.74746242660396 0.16293031453540 0.04657508466501 186.207 > 11 13 Re 0.25253757339604 0.66293031453540 0.45342491533499 186.207 > 13 14 Re 0.75253757339604 0.66293031453540 0.45342491533499 186.207 > 13 15 Re 0.25253757339604 0.83706968546460 0.95342491533498 186.207 > 15 16 Re 0.75253757339604 0.83706968546460 0.95342491533498 186.207 > 15 17 Re 0.08721790697441 0.73760326543378 0.45921297768095 186.207 > 17 18 Re 0.58721790697441 0.73760326543378 0.45921297768095 186.207 > 17 19 Re 0.12117975768996 0.24205648462188 0.46165310564819 186.207 > 19 20 Re 0.62117975768996 0.24205648462188 0.46165310564819 186.207 > 19 21 Re 0.08721790697441 0.76239673456622 0.95921297768095 186.207 > 21 22 Re 0.58721790697441 0.76239673456622 0.95921297768095 186.207 > 21 23 Re 0.23492024340398 0.79131101287441 0.39746443440724 186.207 > 23 24 Re 0.73492024340398 0.79131101287441 0.39746443440724 186.207 > 23 25 Re 0.21346447982756 0.83275496410160 0.54406952387812 186.207 > 25 26 Re 0.71346447982756 0.83275496410160 0.54406952387812 186.207 > 25 27 Re 0.28653552017244 0.16724503589840 0.45593047612188 186.207 > 27 28 Re 0.78653552017244 0.16724503589840 0.45593047612188 186.207 > 27 29 Re 0.23127964289037 0.70461441286796 0.60021126026255 186.207 > 29 30 Re 0.73127964289037 0.70461441286796 0.60021126026255 186.207 > 29 31 Re 0.26872035710963 0.20461441286796 0.89978873973745 186.207 > 31 32 Re 0.76872035710963 0.20461441286796 0.89978873973745 186.207 > 31 33 Re 0.26507975659602 0.29131101287441 0.10253556559276 186.207 > 33 34 Re 0.76507975659602 0.29131101287441 0.10253556559276 186.207 > 33 35 Re 0.23492024340398 0.70868898712559 0.89746443440724 186.207 > 35 36 Re 0.73492024340398 0.70868898712559 0.89746443440724 186.207 > 35 37 Re 0.21346447982756 0.66724503589840 0.04406952387812 186.207 > 37 38 Re 0.71346447982756 0.66724503589840 0.04406952387812 186.207 > 37 39 Re 0.41278209302559 0.23760326543378 0.04078702231905 186.207 > 39 40 Re 0.91278209302559 0.23760326543378 0.04078702231905 186.207 > 39 41 Re 0.12117975768996 0.25794351537812 0.96165310564819 186.207 > 41 42 Re 0.62117975768996 0.25794351537812 0.96165310564819 186.207 > 41 43 Re 0.26872035710963 0.29538558713204 0.39978873973745 186.207 > 43 44 Re 0.76872035710963 0.29538558713204 0.39978873973745 186.207 > 43 45 Re 0.37882024231004 0.74205648462188 0.03834689435181 186.207 > 45 46 Re 0.87882024231004 0.74205648462188 0.03834689435181 186.207 > 45 47 Re 0.26507975659602 0.20868898712559 0.60253556559276 186.207 > 47 48 Re 0.76507975659602 0.20868898712559 0.60253556559276 186.207 > 47 49 Re 0.37882024231004 0.75794351537812 0.53834689435181 186.207 > 49 50 Re 0.87882024231004 0.75794351537812 0.53834689435181 186.207 > 49 51 Re 0.28653552017244 0.33275496410160 0.95593047612188 186.207 > 51 52 Re 0.78653552017244 0.33275496410160 0.95593047612188 186.207 > 51 53 Re 0.23127964289037 0.79538558713204 0.10021126026255 186.207 > 53 54 Re 0.73127964289037 0.79538558713204 0.10021126026255 186.207 > 53 55 Re 0.24746242660396 0.33706968546460 0.54657508466502 186.207 > 55 56 Re 0.74746242660396 0.33706968546460 0.54657508466502 186.207 > 55 57 Se 0.42077770074538 0.22069138102496 0.39055602136169 78.960 > 57 58 Se 0.92077770074538 0.22069138102496 0.39055602136169 78.960 > 57 59 Se 0.38604882655006 0.19785291710595 0.18006799713364 78.960 > 59 60 Se 0.88604882655006 0.19785291710595 0.18006799713364 78.960 > 59 61 Se 0.42496517988898 0.14091402524807 0.59310934669833 78.960 > 61 62 Se 0.92496517988898 0.14091402524807 0.59310934669833 78.960 > 61 63 Se 0.11327295848096 0.21630954395990 0.11195973557675 78.960 > 63 64 Se 0.61327295848096 0.21630954395990 0.11195973557675 78.960 > 63 65 Se 0.10944365191170 0.36356450995486 0.40932207182515 78.960 > 65 66 Se 0.60944365191170 0.36356450995486 0.40932207182515 78.960 > 65 67 Se 0.39158739714902 0.38332808912408 0.48734887367156 78.960 > 67 68 Se 0.89158739714902 0.38332808912408 0.48734887367156 78.960 > 67 69 Se 0.14190886373336 0.12111366313106 0.51458039397440 78.960 > 69 70 Se 0.64190886373336 0.12111366313106 0.51458039397440 78.960 > 69 71 Se 0.10944365191170 0.13643549004514 0.90932207182515 78.960 > 71 72 Se 0.60944365191170 0.13643549004514 0.90932207182515 78.960 > 71 73 Se 0.42077770074538 0.27930861897504 0.89055602136169 78.960 > 73 74 Se 0.92077770074538 0.27930861897504 0.89055602136169 78.960 > 73 75 Se 0.11327295848096 0.28369045604010 0.61195973557675 78.960 > 75 76 Se 0.61327295848096 0.28369045604010 0.61195973557675 78.960 > 75 77 Se 0.07922229925462 0.72069138102496 0.10944397863831 78.960 > 77 78 Se 0.57922229925462 0.72069138102496 0.10944397863831 78.960 > 77 79 Se 0.07503482011102 0.64091402524807 0.90689065330167 78.960 > 79 80 Se 0.57503482011102 0.64091402524807 0.90689065330167 78.960 > 79 81 Se 0.14767848152811 0.20187301392693 0.32263538902498 78.960 > 81 82 Se 0.64767848152811 0.20187301392693 0.32263538902498 78.960 > 81 83 Se 0.10841260285098 0.61667191087592 0.51265112632844 78.960 > 83 84 Se 0.60841260285098 0.61667191087592 0.51265112632844 78.960 > 83 85 Se 0.11395117344994 0.69785291710595 0.31993200286636 78.960 > 85 86 Se 0.61395117344994 0.69785291710595 0.31993200286636 78.960 > 85 87 Se 0.39055634808830 0.86356450995486 0.09067792817485 78.960 > 87 88 Se 0.89055634808830 0.86356450995486 0.09067792817485 78.960 > 87 89 Se 0.38672704151904 0.78369045604010 0.88804026442325 78.960 > 89 90 Se 0.88672704151904 0.78369045604010 0.88804026442325 78.960 > 89 91 Se 0.35232151847189 0.79812698607307 0.67736461097502 78.960 > 91 92 Se 0.85232151847189 0.79812698607307 0.67736461097502 78.960 > 91 93 Se 0.35809113626664 0.62111366313106 0.98541960602560 78.960 > 93 94 Se 0.85809113626664 0.62111366313106 0.98541960602560 78.960 > 93 95 Se 0.14190886373336 0.37888633686894 0.01458039397440 78.960 > 95 96 Se 0.64190886373336 0.37888633686894 0.01458039397440 78.960 > 95 97 Se 0.14767848152811 0.29812698607307 0.82263538902498 78.960 > 97 98 Se 0.64767848152811 0.29812698607307 0.82263538902498 78.960 > 97 99 Se 0.35232151847189 0.70187301392693 0.17736461097502 78.960 > 99 100 Se 0.85232151847189 0.70187301392693 0.17736461097502 78.960 > 99 101 Se 0.07922229925462 0.77930861897504 0.60944397863831 78.960 > 101 102 Se 0.57922229925462 0.77930861897504 0.60944397863831 78.960 > 101 103 Se 0.38604882655006 0.30214708289405 0.68006799713364 78.960 > 103 104 Se 0.88604882655006 0.30214708289405 0.68006799713364 78.960 > 103 105 Se 0.39055634808830 0.63643549004514 0.59067792817485 78.960 > 105 106 Se 0.89055634808830 0.63643549004514 0.59067792817485 78.960 > 105 107 Se 0.11395117344994 0.80214708289405 0.81993200286636 78.960 > 107 108 Se 0.61395117344994 0.80214708289405 0.81993200286636 78.960 > 107 109 Se 0.42496517988898 0.35908597475193 0.09310934669833 78.960 > 109 110 Se 0.92496517988898 0.35908597475193 0.09310934669833 78.960 > 109 111 Se 0.38672704151904 0.71630954395990 0.38804026442325 78.960 > 111 112 Se 0.88672704151904 0.71630954395990 0.38804026442325 78.960 > 111 113 Se 0.07503482011102 0.85908597475193 0.40689065330167 78.960 > 113 114 Se 0.57503482011102 0.85908597475193 0.40689065330167 78.960 > 113 115 Se 0.10841260285098 0.88332808912408 0.01265112632844 78.960 > 115 116 Se 0.60841260285098 0.88332808912408 0.01265112632844 78.960 > 115 117 Se 0.35809113626664 0.87888633686894 0.48541960602560 78.960 > 117 118 Se 0.85809113626664 0.87888633686894 0.48541960602560 78.960 > 117 119 Se 0.39158739714902 0.11667191087593 0.98734887367156 78.960 > 119 120 Se 0.89158739714902 0.11667191087593 0.98734887367156 78.960 > 119 121 I 0.26424031640881 0.36485228263775 0.24942006220925 126.904 > 121 122 I 0.76424031640881 0.36485228263775 0.24942006220925 126.904 > 121 123 I 0.18745009879511 0.54261839781050 0.11210975050138 126.904 > 123 124 I 0.68745009879511 0.54261839781050 0.11210975050138 126.904 > 123 125 I 0.18745009879511 0.95738160218950 0.61210975050137 126.904 > 125 126 I 0.68745009879511 0.95738160218950 0.61210975050137 126.904 > 125 127 I 0.31254990120489 0.04261839781050 0.38789024949862 126.904 > 127 128 I 0.81254990120489 0.04261839781050 0.38789024949862 126.904 > 127 129 I 0.23575968359119 0.63514771736225 0.75057993779075 126.904 > 129 130 I 0.73575968359119 0.63514771736225 0.75057993779075 126.904 > 129 131 I 0.31254990120489 0.45738160218950 0.88789024949863 126.904 > 131 132 I 0.81254990120489 0.45738160218950 0.88789024949863 126.904 > 131 133 I 0.27839205593992 0.96155795935180 0.88471018262655 126.904 > 133 134 I 0.77839205593992 0.96155795935180 0.88471018262655 126.904 > 133 135 I 0.27839205593992 0.53844204064820 0.38471018262655 126.904 > 135 136 I 0.77839205593992 0.53844204064820 0.38471018262655 126.904 > 135 137 I 0.22160794406008 0.03844204064820 0.11528981737345 126.904 > 137 138 I 0.72160794406008 0.03844204064820 0.11528981737345 126.904 > 137 139 I 0.23575968359119 0.86485228263775 0.25057993779075 126.904 > 139 140 I 0.73575968359119 0.86485228263775 0.25057993779075 126.904 > 139 141 I 0.22160794406008 0.46155795935180 0.61528981737345 126.904 > 141 142 I 0.72160794406008 0.46155795935180 0.61528981737345 126.904 > 141 143 I 0.26424031640881 0.13514771736225 0.74942006220925 126.904 > 143 144 I 0.76424031640881 0.13514771736225 0.74942006220925 126.904 > 143----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.2860962 0.0000000 -0.2494448 0.0000000 6.3764680 0.0000000 -0.2494504 0.0000000 9.1208363-------------------------- Born effective charges -------------------------- 1 Cs 1.6055118 -0.0480605 0.1485302 -0.0356050 1.7425016 -0.0021335 0.0892821 -0.0093347 1.6831851 2 Cs 1.6055118 0.0480605 0.1485302 0.0356050 1.7425016 0.0021335 0.0892821 0.0093347 1.6831851 3 Cs 1.6055118 -0.0480605 0.1485302 -0.0356050 1.7425016 -0.0021335 0.0892821 -0.0093347 1.6831851 4 Cs 1.6055118 0.0480605 0.1485302 0.0356050 1.7425016 0.0021335 0.0892821 0.0093347 1.6831851 5 Re 0.5296744 0.1182811 0.0874215 0.0147340 -0.0300934 0.2373878 -0.2771097 1.0996561 2.0918825 6 Re 0.1701373 -0.7706150 -0.3291617 0.0491665 0.8682820 -0.6040885 0.1330553 -0.7055056 -0.2883640 7 Re 0.1701373 0.7706150 -0.3291617 -0.0491665 0.8682820 0.6040885 0.1330553 0.7055056 -0.2883640 8 Re 0.1701373 -0.7706150 -0.3291617 0.0491665 0.8682820 -0.6040885 0.1330553 -0.7055056 -0.2883640 9 Re 0.5296744 0.1182811 0.0874215 0.0147340 -0.0300934 0.2373878 -0.2771097 1.0996561 2.0918825 10 Re 0.5180081 0.0756530 0.1107095 -0.0660371 -0.0839016 0.2328958 -0.2522391 1.1505270 2.1352049 11 Re 0.5296744 -0.1182811 0.0874215 -0.0147340 -0.0300934 -0.2373878 -0.2771097 -1.0996561 2.0918825 12 Re -0.0197859 -0.7451929 0.3417987 0.1802885 -0.1707057 -0.1709405 -0.0648667 -1.2055404 0.7732801 13 Re 0.2222183 0.7680299 -0.3165648 -0.0296627 0.8048558 0.6095653 0.0831784 0.7138316 -0.2323487 14 Re 0.2222183 0.7680299 -0.3165648 -0.0296627 0.8048558 0.6095653 0.0831784 0.7138316 -0.2323487 15 Re -0.0636748 -0.7492152 0.3210355 0.1451220 -0.1532651 -0.1346887 0.0081582 -1.1303041 0.7855094 16 Re -0.0636748 0.7492152 0.3210355 -0.1451220 -0.1532651 0.1346887 0.0081582 1.1303041 0.7855094 17 Re -0.0197859 0.7451929 0.3417987 -0.1802885 -0.1707057 0.1709405 -0.0648667 1.2055404 0.7732801 18 Re -0.0197859 0.7451929 0.3417987 -0.1802885 -0.1707057 0.1709405 -0.0648667 1.2055404 0.7732801 19 Re 0.2222183 -0.7680299 -0.3165648 0.0296627 0.8048558 -0.6095653 0.0831784 -0.7138316 -0.2323487 20 Re 0.5296744 -0.1182811 0.0874215 -0.0147340 -0.0300934 -0.2373878 -0.2771097 -1.0996561 2.0918825 21 Re 0.5180081 -0.0756530 0.1107095 0.0660371 -0.0839016 -0.2328958 -0.2522391 -1.1505270 2.1352049 22 Re -0.0636748 -0.7492152 0.3210355 0.1451220 -0.1532651 -0.1346887 0.0081582 -1.1303041 0.7855094 23 Re 0.5180081 -0.0756530 0.1107095 0.0660371 -0.0839016 -0.2328958 -0.2522391 -1.1505270 2.1352049 24 Re -0.0197859 -0.7451929 0.3417987 0.1802885 -0.1707057 -0.1709405 -0.0648667 -1.2055404 0.7732801 25 Re 0.5180081 0.0756530 0.1107095 -0.0660371 -0.0839016 0.2328958 -0.2522391 1.1505270 2.1352049 26 Re 0.2222183 -0.7680299 -0.3165648 0.0296627 0.8048558 -0.6095653 0.0831784 -0.7138316 -0.2323487 27 Re -0.0636748 0.7492152 0.3210355 -0.1451220 -0.1532651 0.1346887 0.0081582 1.1303041 0.7855094 28 Re 0.1701373 0.7706150 -0.3291617 -0.0491665 0.8682820 0.6040885 0.1330553 0.7055056 -0.2883640 29 Se -0.6438108 0.0235762 0.2136539 -0.0743718 0.3011992 -0.2940887 -0.0502709 -0.8868599 -1.3499871 30 Se -0.1691051 0.0837620 -0.1128959 0.1013082 -0.1731030 0.2279678 0.1718379 0.5941735 -1.1868190 31 Se -0.1977884 0.6399472 -0.4790976 0.1425447 -0.4303039 0.2446168 -0.3671841 0.5618131 -0.2199201 32 Se -0.6455857 -0.0300044 0.2288725 0.0665342 0.2940978 0.3174150 -0.0227362 0.9446514 -1.3745674 33 Se -0.1954214 0.6759036 -0.4869700 0.2708175 -0.3067514 0.2291020 -0.3972010 0.4941317 -0.2352575 34 Se -0.1956023 -0.7717648 0.0923109 -0.4319505 0.1647716 -0.2336706 -0.0665342 -0.1501589 0.2071068 35 Se -0.2265331 -0.6980650 0.0681212 -0.2598669 0.2647942 -0.2303284 -0.1021614 -0.1401988 0.2076704 36 Se -0.1954214 -0.6759036 -0.4869700 -0.2708175 -0.3067514 -0.2291020 -0.3972010 -0.4941317 -0.2352575 37 Se -0.6438108 -0.0235762 0.2136539 0.0743718 0.3011992 0.2940887 -0.0502709 0.8868599 -1.3499871 38 Se -0.6455857 0.0300044 0.2288725 -0.0665342 0.2940978 -0.3174150 -0.0227362 -0.9446514 -1.3745674 39 Se -0.6438108 -0.0235762 0.2136539 0.0743718 0.3011992 0.2940887 -0.0502709 0.8868599 -1.3499871 40 Se -0.1977884 -0.6399472 -0.4790976 -0.1425447 -0.4303039 -0.2446168 -0.3671841 -0.5618131 -0.2199201 41 Se -0.1612332 -0.0677657 -0.1156287 -0.0933625 -0.1547688 -0.2211558 0.1923938 -0.6153426 -1.1735034 42 Se -0.1956023 -0.7717648 0.0923109 -0.4319505 0.1647716 -0.2336706 -0.0665342 -0.1501589 0.2071068 43 Se -0.1691051 -0.0837620 -0.1128959 -0.1013082 -0.1731030 -0.2279678 0.1718379 -0.5941735 -1.1868190 44 Se -0.1954214 -0.6759036 -0.4869700 -0.2708175 -0.3067514 -0.2291020 -0.3972010 -0.4941317 -0.2352575 45 Se -0.6455857 -0.0300044 0.2288725 0.0665342 0.2940978 0.3174150 -0.0227362 0.9446514 -1.3745674 46 Se -0.1612332 -0.0677657 -0.1156287 -0.0933625 -0.1547688 -0.2211558 0.1923938 -0.6153426 -1.1735034 47 Se -0.2265331 0.6980650 0.0681212 0.2598669 0.2647942 0.2303284 -0.1021614 0.1401988 0.2076704 48 Se -0.2265331 0.6980650 0.0681212 0.2598669 0.2647942 0.2303284 -0.1021614 0.1401988 0.2076704 49 Se -0.1612332 0.0677657 -0.1156287 0.0933625 -0.1547688 0.2211558 0.1923938 0.6153426 -1.1735034 50 Se -0.1612332 0.0677657 -0.1156287 0.0933625 -0.1547688 0.2211558 0.1923938 0.6153426 -1.1735034 51 Se -0.6438108 0.0235762 0.2136539 -0.0743718 0.3011992 -0.2940887 -0.0502709 -0.8868599 -1.3499871 52 Se -0.1691051 -0.0837620 -0.1128959 -0.1013082 -0.1731030 -0.2279678 0.1718379 -0.5941735 -1.1868190 53 Se -0.1954214 0.6759036 -0.4869700 0.2708175 -0.3067514 0.2291020 -0.3972010 0.4941317 -0.2352575 54 Se -0.1691051 0.0837620 -0.1128959 0.1013082 -0.1731030 0.2279678 0.1718379 0.5941735 -1.1868190 55 Se -0.1977884 -0.6399472 -0.4790976 -0.1425447 -0.4303039 -0.2446168 -0.3671841 -0.5618131 -0.2199201 56 Se -0.6455857 0.0300044 0.2288725 -0.0665342 0.2940978 -0.3174150 -0.0227362 -0.9446514 -1.3745674 57 Se -0.1977884 0.6399472 -0.4790976 0.1425447 -0.4303039 0.2446168 -0.3671841 0.5618131 -0.2199201 58 Se -0.1956023 0.7717648 0.0923109 0.4319505 0.1647716 0.2336706 -0.0665342 0.1501589 0.2071068 59 Se -0.2265331 -0.6980650 0.0681212 -0.2598669 0.2647942 -0.2303284 -0.1021614 -0.1401988 0.2076704 60 Se -0.1956023 0.7717648 0.0923109 0.4319505 0.1647716 0.2336706 -0.0665342 0.1501589 0.2071068 61 I 0.1506903 -0.0404778 0.1287900 -0.0556286 0.1123946 -0.0486793 0.4149336 -0.0195088 -1.1206318 62 I -0.3339555 -0.1585356 0.0570723 -0.3222978 -1.5051958 0.5468929 0.2698910 0.5317026 -0.3609004 63 I -0.3339555 0.1585356 0.0570723 0.3222978 -1.5051958 -0.5468929 0.2698910 -0.5317026 -0.3609004 64 I -0.3339555 0.1585356 0.0570723 0.3222978 -1.5051958 -0.5468929 0.2698910 -0.5317026 -0.3609004 65 I 0.1506903 -0.0404778 0.1287900 -0.0556286 0.1123946 -0.0486793 0.4149336 -0.0195088 -1.1206318 66 I -0.3339555 -0.1585356 0.0570723 -0.3222978 -1.5051958 0.5468929 0.2698910 0.5317026 -0.3609004 67 I -0.3437441 -0.1761865 0.0420024 -0.3506458 -1.5448081 0.5731974 0.2375730 0.4987810 -0.3415398 68 I -0.3437441 0.1761865 0.0420024 0.3506458 -1.5448081 -0.5731974 0.2375730 -0.4987810 -0.3415398 69 I -0.3437441 -0.1761865 0.0420024 -0.3506458 -1.5448081 0.5731974 0.2375730 0.4987810 -0.3415398 70 I 0.1506903 0.0404778 0.1287900 0.0556286 0.1123946 0.0486793 0.4149336 0.0195088 -1.1206318 71 I -0.3437441 0.1761865 0.0420024 0.3506458 -1.5448081 -0.5731974 0.2375730 -0.4987810 -0.3415398 72 I 0.1506903 0.0404778 0.1287900 0.0556286 0.1123946 0.0486793 0.4149336 0.0195088 -1.1206318----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 3 3 ]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: 0.33, Number of G-points: 297, Lambda: 0.10Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/26) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.115 ( 0.000 0.000 0.000) 0.000 0.250 ( 0.000 0.000 0.000) 0.000 0.474 ( 0.000 0.000 0.000) 0.000 0.546 ( 0.000 0.000 0.000) 0.000 0.601 ( 0.000 0.000 0.000) 0.000 0.648 ( 0.000 0.000 0.000) 0.000 0.697 ( 0.000 0.000 0.000) 0.000 0.705 ( 0.000 0.000 0.000) 0.000 0.731 ( 0.000 0.000 0.000) 0.000 0.734 ( 0.000 0.000 0.000) 0.000 0.738 ( 0.000 0.000 0.000) 0.000 0.827 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.895 ( 0.000 0.000 0.000) 0.000 0.895 ( 0.000 0.000 0.000) 0.000 0.900 ( 0.000 0.000 0.000) 0.000 0.958 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 0.993 ( 0.000 0.000 0.000) 0.000 1.019 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 0.000 0.000) 0.000 1.127 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.506 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.736 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/26) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.161 ( 9.268 0.000 2.680) 9.647 0.257 ( 12.030 0.000 6.493) 13.671 0.358 ( 8.893 0.000 5.246) 10.325 0.500 ( 3.698 0.000 -1.423) 3.962 0.547 ( 0.781 0.000 -3.952) 4.028 0.616 ( 21.862 0.000 1.238) 21.897 0.647 ( 25.627 0.000 1.232) 25.656 0.714 ( 1.935 0.000 3.244) 3.777 0.722 ( 3.053 0.000 1.430) 3.371 0.722 ( 0.215 0.000 0.415) 0.467 0.739 ( 0.235 0.000 -0.912) 0.942 0.761 ( 4.533 0.000 -4.133) 6.135 0.794 ( 5.892 0.000 2.641) 6.457 0.848 ( 1.392 0.000 -0.836) 1.624 0.883 ( -3.522 0.000 3.534) 4.989 0.893 ( 12.108 0.000 -2.803) 12.428 0.901 ( -4.700 0.000 -2.053) 5.129 0.908 ( 13.020 0.000 -2.778) 13.313 0.960 ( 9.350 0.000 1.425) 9.458 0.985 ( 11.030 0.000 2.400) 11.288 0.993 ( 2.204 0.000 1.086) 2.457 1.012 ( 0.463 0.000 -0.053) 0.465 1.072 ( 6.802 0.000 -1.140) 6.897 1.115 ( -2.398 0.000 0.548) 2.460 1.117 ( 4.234 0.000 0.398) 4.252 1.166 ( 5.220 0.000 -2.237) 5.679 1.190 ( -0.125 0.000 0.128) 0.179 1.210 ( 1.331 0.000 -1.493) 2.001 1.342 ( 3.048 0.000 0.360) 3.069 1.358 ( 1.900 0.000 0.004) 1.900 1.372 ( 0.124 0.000 0.564) 0.577 1.377 ( 4.055 0.000 0.522) 4.088 1.496 ( 1.676 0.000 0.631) 1.791 1.517 ( 1.170 0.000 0.259) 1.198 1.558 ( 0.645 0.000 -0.178) 0.669 1.581 ( -0.024 0.000 -0.288) 0.289 1.596 ( -1.884 0.000 -1.274) 2.274 1.603 ( -1.095 0.000 -3.600) 3.762 1.644 ( 2.917 0.000 1.862) 3.461 1.673 ( 1.409 0.000 2.007) 2.453 1.772 ( 1.826 0.000 0.652) 1.939 1.822 ( 1.627 0.000 1.234) 2.042 1.824 ( -0.375 0.000 -0.145) 0.402 1.848 ( -0.530 0.000 -0.510) 0.736 1.900 ( 0.971 0.000 -0.508) 1.096 1.902 ( 0.917 0.000 -0.751) 1.185 1.973 ( 0.830 0.000 0.157) 0.845 1.983 ( 1.264 0.000 -0.515) 1.365 2.238 ( -4.196 0.000 0.009) 4.196 2.284 ( -3.990 0.000 0.250) 3.998 2.301 ( -3.843 0.000 -0.282) 3.853 2.330 ( -4.119 0.000 -0.375) 4.136 2.336 ( 0.805 0.000 -0.949) 1.244 2.357 ( 0.481 0.000 -0.778) 0.915 2.419 ( 2.199 0.000 1.338) 2.574 2.421 ( 2.374 0.000 1.131) 2.629 3.027 ( 0.385 0.000 -0.320) 0.501 3.033 ( 0.498 0.000 -1.003) 1.120 3.035 ( 0.455 0.000 -0.509) 0.683 3.057 ( 0.280 0.000 -0.319) 0.425 3.269 ( -0.858 0.000 1.152) 1.436 3.282 ( -0.322 0.000 0.868) 0.926 3.412 ( -2.066 0.000 -0.749) 2.198 3.415 ( -1.280 0.000 -0.614) 1.420 3.666 ( -1.711 0.000 1.474) 2.258 3.669 ( -1.220 0.000 0.371) 1.275 3.674 ( -0.441 0.000 0.462) 0.639 3.690 ( -1.334 0.000 0.946) 1.636 3.738 ( 1.518 0.000 -0.248) 1.538 3.742 ( 1.656 0.000 -0.406) 1.705 3.791 ( 0.969 0.000 0.285) 1.010 3.793 ( 0.563 0.000 0.029) 0.564 3.823 ( 0.403 0.000 0.296) 0.500 3.853 ( 0.693 0.000 -0.231) 0.730 3.866 ( -0.607 0.000 -0.332) 0.692 3.914 ( -0.177 0.000 -0.017) 0.178 4.017 ( -5.792 0.000 0.411) 5.806 4.022 ( -5.485 0.000 0.368) 5.497 4.026 ( -0.003 0.000 -1.455) 1.455 4.028 ( -0.266 0.000 -1.337) 1.363 4.049 ( -6.262 0.000 -0.418) 6.276 4.072 ( -5.741 0.000 -0.155) 5.743 4.110 ( 0.133 0.000 0.202) 0.242 4.117 ( 0.205 0.000 -0.035) 0.208 4.309 ( 3.322 0.000 0.205) 3.328 4.316 ( 3.050 0.000 0.155) 3.054 4.347 ( 2.653 0.000 0.614) 2.723 4.348 ( 3.367 0.000 -0.062) 3.367 4.352 ( 3.477 0.000 0.021) 3.478 4.354 ( 2.141 0.000 0.393) 2.177 4.435 ( 0.375 0.000 -2.168) 2.200 4.444 ( 0.295 0.000 -2.002) 2.024 4.474 ( -1.558 0.000 0.485) 1.632 4.475 ( -1.205 0.000 0.125) 1.212 4.509 ( 0.830 0.000 1.111) 1.387 4.512 ( 0.712 0.000 1.242) 1.432 4.583 ( -1.570 0.000 1.543) 2.201 4.584 ( -2.286 0.000 0.853) 2.439 4.593 ( 0.056 0.000 -0.086) 0.103 4.596 ( 0.726 0.000 0.849) 1.117 4.604 ( -1.400 0.000 -0.276) 1.427 4.605 ( -1.263 0.000 -0.411) 1.328 4.675 ( 0.215 0.000 -0.535) 0.577 4.675 ( 0.117 0.000 -0.610) 0.621 4.937 ( -0.284 0.000 -0.223) 0.361 4.941 ( -0.412 0.000 -0.271) 0.493 5.010 ( -0.860 0.000 -0.046) 0.861 5.014 ( -0.820 0.000 0.030) 0.820 5.062 ( -1.746 0.000 1.984) 2.643 5.064 ( -1.534 0.000 0.977) 1.818 5.091 ( -2.811 0.000 -0.600) 2.875 5.092 ( -2.886 0.000 -0.711) 2.972 5.159 ( 0.119 0.000 -0.010) 0.120 5.162 ( 0.102 0.000 0.192) 0.217 5.193 ( -0.970 0.000 0.990) 1.386 5.194 ( -0.950 0.000 0.794) 1.238 5.248 ( 1.898 0.000 0.307) 1.922 5.252 ( 1.848 0.000 0.264) 1.867 5.264 ( 2.312 0.000 -0.782) 2.441 5.268 ( 2.304 0.000 -0.789) 2.436 5.313 ( -0.093 0.000 -0.625) 0.632 5.313 ( 0.098 0.000 -0.594) 0.602 5.384 ( -0.427 0.000 0.301) 0.522 5.388 ( -0.546 0.000 0.301) 0.624 5.568 ( -0.190 0.000 0.371) 0.417 5.571 ( -0.282 0.000 0.174) 0.332 5.578 ( -0.063 0.000 0.568) 0.572 5.585 ( -0.805 0.000 0.421) 0.908 5.606 ( 0.136 0.000 0.047) 0.144 5.620 ( 0.844 0.000 -0.002) 0.844 5.624 ( -0.392 0.000 -0.357) 0.530 5.629 ( -0.001 0.000 -0.408) 0.408 5.706 ( 2.918 0.000 -0.258) 2.929 5.712 ( 3.232 0.000 0.708) 3.309 5.713 ( 2.430 0.000 -0.737) 2.539 5.714 ( 3.085 0.000 0.468) 3.121 5.790 ( -0.014 0.000 0.028) 0.031 5.794 ( -0.107 0.000 0.022) 0.109 5.809 ( -0.190 0.000 -0.047) 0.195 5.811 ( -0.104 0.000 -0.076) 0.129 6.089 ( -3.196 0.000 -0.047) 3.197 6.091 ( -3.287 0.000 -0.261) 3.297 6.102 ( -3.048 0.000 0.005) 3.048 6.103 ( -3.072 0.000 0.091) 3.073 6.325 ( -7.957 0.000 -0.566) 7.977 6.327 ( -6.547 0.000 0.462) 6.564 6.329 ( -6.465 0.000 0.461) 6.482 6.330 ( -8.009 0.000 -0.358) 8.017 6.456 ( 0.637 0.000 0.105) 0.645 6.460 ( 0.665 0.000 0.039) 0.666 6.470 ( 0.312 0.000 -0.098) 0.327 6.474 ( 0.402 0.000 -0.048) 0.405 6.492 ( 3.889 0.000 0.413) 3.911 6.499 ( 3.383 0.000 1.328) 3.634 6.555 ( 2.580 0.000 0.073) 2.581 6.558 ( 2.769 0.000 -0.072) 2.770 6.655 ( -1.316 0.000 -0.174) 1.327 6.659 ( -1.411 0.000 -0.165) 1.421 6.694 ( -1.549 0.000 0.201) 1.562 6.700 ( -1.681 0.000 0.224) 1.696 6.786 ( 2.099 0.000 -0.952) 2.305 6.787 ( 2.455 0.000 1.018) 2.658 6.789 ( 1.830 0.000 -0.928) 2.052 6.795 ( 1.422 0.000 1.788) 2.284 6.866 ( 0.949 0.000 0.217) 0.973 6.867 ( 0.609 0.000 -0.076) 0.614 6.880 ( -0.479 0.000 0.091) 0.487 6.892 ( -0.607 0.000 0.128) 0.621 6.935 ( 0.212 0.000 -0.009) 0.212 6.936 ( 0.288 0.000 0.046) 0.292 6.953 ( 0.344 0.000 -0.046) 0.347 6.956 ( 0.383 0.000 -0.009) 0.383 7.152 ( 0.948 0.000 -0.058) 0.950 7.158 ( 0.787 0.000 -0.074) 0.790 7.167 ( 1.070 0.000 0.010) 1.070 7.177 ( 0.690 0.000 -0.019) 0.691 7.211 ( 2.408 0.000 0.062) 2.409 7.213 ( 1.955 0.000 -0.091) 1.957 7.218 ( 2.433 0.000 0.049) 2.434 7.219 ( 2.108 0.000 -0.063) 2.109 7.338 ( -3.094 0.000 -0.032) 3.094 7.339 ( -2.654 0.000 0.024) 2.654 7.340 ( -3.225 0.000 0.075) 3.226 7.340 ( -2.665 0.000 0.058) 2.665 7.686 ( 5.442 0.000 -0.124) 5.444 7.688 ( 5.562 0.000 -0.219) 5.566 7.703 ( 4.200 0.000 0.175) 4.204 7.707 ( 4.235 0.000 0.230) 4.242 7.776 ( -1.600 0.000 -0.047) 1.601 7.779 ( -1.707 0.000 -0.058) 1.708 7.803 ( -0.587 0.000 -0.017) 0.587 7.804 ( -0.327 0.000 0.028) 0.328 8.398 ( -0.005 0.000 -0.264) 0.264 8.400 ( -0.057 0.000 -0.241) 0.248 8.424 ( 0.176 0.000 0.153) 0.234 8.426 ( 0.198 0.000 0.158) 0.253 8.509 ( -0.123 0.000 0.045) 0.131 8.512 ( -0.163 0.000 -0.435) 0.464 8.572 ( 0.071 0.000 -0.108) 0.130 8.573 ( 0.130 0.000 -0.120) 0.177 8.656 ( 1.400 0.000 0.281) 1.428 8.657 ( 1.532 0.000 -0.037) 1.532 8.661 ( 0.305 0.000 0.266) 0.405 8.663 ( 0.281 0.000 0.194) 0.342 8.684 ( 0.462 0.000 0.226) 0.514 8.687 ( 0.382 0.000 0.111) 0.398 8.701 ( -0.252 0.000 -0.080) 0.264 8.709 ( -0.404 0.000 -0.075) 0.411 8.711 ( -0.350 0.000 -0.079) 0.359 8.713 ( -0.260 0.000 -0.095) 0.277 8.744 ( -0.535 0.000 -0.009) 0.535 8.756 ( -0.533 0.000 -0.060) 0.536 8.829 ( -1.176 0.000 0.023) 1.176 8.843 ( -1.293 0.000 -0.013) 1.293 8.846 ( -1.231 0.000 0.035) 1.232 8.857 ( -1.292 0.000 -0.020) 1.292======================= Grid point 2 (3/26) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.385 ( 12.502 0.000 1.771) 12.627 0.511 ( 10.281 0.000 1.512) 10.392 0.590 ( 5.116 0.000 -0.655) 5.158 0.597 ( 12.298 0.000 4.093) 12.961 0.602 ( 7.783 0.000 1.103) 7.861 0.709 ( 0.256 0.000 0.446) 0.514 0.720 ( -0.260 0.000 -0.323) 0.415 0.736 ( 0.104 0.000 -0.147) 0.180 0.749 ( 0.022 0.000 0.496) 0.497 0.762 ( -2.189 0.000 -0.841) 2.344 0.769 ( -5.685 0.000 -1.360) 5.846 0.782 ( 0.724 0.000 0.345) 0.802 0.840 ( -0.670 0.000 1.730) 1.856 0.862 ( 6.215 0.000 1.448) 6.382 0.963 ( 1.229 0.000 -0.475) 1.317 0.985 ( 2.605 0.000 -1.131) 2.840 0.987 ( 4.762 0.000 -0.159) 4.765 1.036 ( 8.960 0.000 1.250) 9.047 1.062 ( 2.545 0.000 -2.167) 3.343 1.097 ( 2.051 0.000 -1.996) 2.862 1.123 ( 5.007 0.000 -0.795) 5.070 1.163 ( 9.729 0.000 -0.491) 9.741 1.186 ( 2.302 0.000 -1.458) 2.725 1.223 ( 6.623 0.000 0.935) 6.688 1.261 ( 10.929 0.000 2.219) 11.152 1.317 ( 8.665 0.000 -2.151) 8.928 1.363 ( -1.681 0.000 2.987) 3.427 1.367 ( 11.638 0.000 0.333) 11.643 1.384 ( 0.056 0.000 0.599) 0.601 1.388 ( 11.507 0.000 1.316) 11.582 1.413 ( 5.445 0.000 0.759) 5.497 1.446 ( 3.480 0.000 0.370) 3.500 1.519 ( 0.263 0.000 -0.790) 0.833 1.521 ( -4.037 0.000 -2.550) 4.774 1.549 ( -2.311 0.000 -1.979) 3.042 1.572 ( 3.433 0.000 0.070) 3.434 1.581 ( 1.331 0.000 -0.311) 1.367 1.606 ( 3.432 0.000 -0.892) 3.546 1.766 ( 9.309 0.000 1.070) 9.370 1.773 ( 8.055 0.000 -0.273) 8.060 1.822 ( 3.912 0.000 2.133) 4.456 1.843 ( 3.886 0.000 -1.389) 4.127 1.857 ( 2.686 0.000 -2.342) 3.564 1.864 ( 2.035 0.000 2.417) 3.160 1.912 ( 1.279 0.000 0.952) 1.594 1.924 ( 2.117 0.000 -1.291) 2.479 1.995 ( 1.264 0.000 0.158) 1.274 2.007 ( 1.602 0.000 -0.178) 1.612 2.132 ( -5.893 0.000 0.305) 5.901 2.191 ( -4.865 0.000 0.307) 4.875 2.206 ( -5.174 0.000 -0.637) 5.213 2.232 ( -5.035 0.000 -0.546) 5.065 2.339 ( -0.470 0.000 -1.301) 1.383 2.356 ( -0.502 0.000 -1.167) 1.271 2.462 ( 0.382 0.000 1.853) 1.892 2.467 ( 0.534 0.000 1.712) 1.793 3.034 ( 0.569 0.000 -0.590) 0.820 3.035 ( 0.275 0.000 -1.043) 1.078 3.038 ( 0.146 0.000 -0.616) 0.633 3.061 ( 0.423 0.000 -0.614) 0.745 3.258 ( -0.980 0.000 1.558) 1.841 3.280 ( -0.456 0.000 1.190) 1.274 3.371 ( -1.405 0.000 -0.557) 1.511 3.386 ( -1.128 0.000 -0.866) 1.422 3.619 ( -4.167 0.000 0.548) 4.203 3.636 ( -3.866 0.000 0.516) 3.901 3.646 ( -0.898 0.000 1.280) 1.563 3.670 ( -1.004 0.000 0.726) 1.239 3.742 ( -1.667 0.000 -0.268) 1.688 3.755 ( -0.772 0.000 -0.309) 0.831 3.805 ( 0.398 0.000 0.119) 0.416 3.834 ( 2.868 0.000 0.835) 2.987 3.849 ( -0.559 0.000 -0.232) 0.605 3.851 ( 2.799 0.000 0.718) 2.889 3.860 ( 0.135 0.000 0.078) 0.156 3.876 ( -3.826 0.000 -0.542) 3.864 3.935 ( -2.254 0.000 0.329) 2.278 3.944 ( -2.339 0.000 0.423) 2.377 3.965 ( -1.058 0.000 0.244) 1.086 3.982 ( -2.905 0.000 -0.022) 2.905 4.031 ( 1.798 0.000 -2.448) 3.037 4.034 ( 1.822 0.000 -2.437) 3.043 4.117 ( 0.371 0.000 0.375) 0.528 4.125 ( 0.441 0.000 0.156) 0.467 4.320 ( -2.271 0.000 -0.928) 2.454 4.322 ( -2.411 0.000 -0.906) 2.576 4.389 ( -0.719 0.000 0.637) 0.961 4.391 ( -1.134 0.000 0.853) 1.419 4.418 ( 3.467 0.000 0.300) 3.480 4.425 ( 3.875 0.000 0.390) 3.894 4.456 ( 3.569 0.000 -0.612) 3.621 4.458 ( 2.785 0.000 -0.225) 2.794 4.471 ( 2.289 0.000 1.720) 2.863 4.477 ( 2.386 0.000 1.777) 2.976 4.503 ( -0.616 0.000 -1.438) 1.564 4.505 ( -0.443 0.000 -1.600) 1.660 4.557 ( 0.330 0.000 0.105) 0.346 4.563 ( 0.260 0.000 0.111) 0.282 4.587 ( -0.058 0.000 -0.298) 0.304 4.592 ( 0.158 0.000 -0.308) 0.346 4.628 ( 1.542 0.000 1.932) 2.471 4.630 ( 1.272 0.000 1.999) 2.370 4.668 ( -0.280 0.000 -1.393) 1.421 4.672 ( -0.124 0.000 -1.296) 1.302 4.935 ( 0.210 0.000 -0.311) 0.375 4.936 ( 0.208 0.000 -0.378) 0.432 4.990 ( -1.240 0.000 -0.363) 1.292 4.995 ( -1.134 0.000 -0.251) 1.162 5.022 ( -3.916 0.000 -0.262) 3.925 5.024 ( -3.857 0.000 -0.098) 3.858 5.032 ( -2.104 0.000 1.193) 2.419 5.034 ( -2.047 0.000 1.134) 2.340 5.160 ( 0.177 0.000 -0.544) 0.572 5.162 ( 0.091 0.000 -0.447) 0.456 5.185 ( -0.561 0.000 1.395) 1.503 5.185 ( -0.582 0.000 1.361) 1.480 5.292 ( 2.000 0.000 0.662) 2.106 5.294 ( 1.879 0.000 0.647) 1.987 5.297 ( 0.914 0.000 -2.175) 2.359 5.297 ( 1.007 0.000 -2.230) 2.447 5.311 ( 0.843 0.000 0.198) 0.866 5.318 ( 0.990 0.000 0.197) 1.010 5.376 ( -0.549 0.000 0.307) 0.629 5.377 ( -0.738 0.000 0.297) 0.795 5.523 ( -4.147 0.000 -0.017) 4.147 5.526 ( -3.844 0.000 0.259) 3.853 5.549 ( -2.977 0.000 0.502) 3.019 5.550 ( -2.930 0.000 0.351) 2.951 5.622 ( 0.944 0.000 0.235) 0.973 5.627 ( 0.482 0.000 -0.236) 0.537 5.638 ( 0.591 0.000 -0.363) 0.693 5.638 ( 0.770 0.000 0.052) 0.772 5.767 ( 1.074 0.000 -1.626) 1.949 5.767 ( -0.534 0.000 1.761) 1.840 5.770 ( -0.242 0.000 1.484) 1.503 5.771 ( 1.614 0.000 -1.190) 2.005 5.787 ( -0.247 0.000 0.065) 0.255 5.791 ( 0.025 0.000 0.172) 0.174 5.805 ( 0.072 0.000 -0.155) 0.171 5.808 ( 0.041 0.000 -0.228) 0.231 6.015 ( -2.720 0.000 0.557) 2.776 6.016 ( -2.741 0.000 0.562) 2.797 6.041 ( -1.108 0.000 -0.599) 1.260 6.042 ( -1.049 0.000 -0.612) 1.215 6.176 ( -5.495 0.000 -0.407) 5.510 6.178 ( -5.743 0.000 -0.398) 5.757 6.207 ( -4.846 0.000 0.370) 4.860 6.208 ( -4.963 0.000 0.371) 4.977 6.484 ( 1.365 0.000 0.150) 1.373 6.487 ( 1.293 0.000 0.108) 1.298 6.495 ( 1.532 0.000 -0.199) 1.545 6.499 ( 1.551 0.000 -0.167) 1.560 6.543 ( -0.294 0.000 -0.207) 0.360 6.544 ( -0.440 0.000 -0.255) 0.508 6.577 ( -1.774 0.000 0.316) 1.802 6.581 ( -1.804 0.000 0.165) 1.811 6.643 ( 0.620 0.000 0.036) 0.621 6.646 ( 0.507 0.000 -0.038) 0.508 6.676 ( 0.148 0.000 0.139) 0.203 6.680 ( 0.016 0.000 0.194) 0.195 6.800 ( 0.574 0.000 -1.232) 1.359 6.801 ( 0.530 0.000 -1.233) 1.343 6.812 ( 0.026 0.000 0.914) 0.914 6.813 ( 0.230 0.000 0.879) 0.909 6.857 ( -1.465 0.000 0.225) 1.482 6.860 ( -1.556 0.000 0.466) 1.625 6.864 ( -0.887 0.000 0.103) 0.893 6.875 ( -0.894 0.000 0.145) 0.905 6.944 ( 0.697 0.000 0.097) 0.704 6.947 ( 0.739 0.000 0.128) 0.750 6.963 ( 0.615 0.000 -0.101) 0.623 6.966 ( 0.619 0.000 -0.046) 0.620 7.146 ( -0.542 0.000 0.257) 0.600 7.153 ( -0.448 0.000 0.214) 0.497 7.158 ( -1.212 0.000 -0.216) 1.231 7.164 ( -1.186 0.000 -0.185) 1.200 7.284 ( 4.627 0.000 -0.122) 4.629 7.290 ( 4.516 0.000 -0.112) 4.517 7.290 ( 4.873 0.000 0.162) 4.876 7.295 ( 4.742 0.000 0.168) 4.745 7.338 ( 2.915 0.000 0.054) 2.916 7.338 ( 2.826 0.000 0.098) 2.828 7.349 ( 3.261 0.000 -0.147) 3.264 7.350 ( 3.324 0.000 -0.147) 3.328 7.706 ( -3.151 0.000 -0.333) 3.169 7.707 ( -3.101 0.000 -0.389) 3.125 7.708 ( -3.035 0.000 0.335) 3.053 7.712 ( -2.928 0.000 0.371) 2.952 7.804 ( 3.958 0.000 0.085) 3.959 7.805 ( 4.025 0.000 0.062) 4.026 7.844 ( 3.709 0.000 -0.098) 3.710 7.848 ( 3.718 0.000 -0.050) 3.718 8.399 ( 0.305 0.000 -0.396) 0.500 8.400 ( 0.261 0.000 -0.355) 0.440 8.434 ( 0.686 0.000 0.258) 0.733 8.435 ( 0.679 0.000 0.235) 0.718 8.501 ( -0.763 0.000 0.098) 0.769 8.502 ( -0.750 0.000 0.164) 0.767 8.562 ( -1.025 0.000 -0.078) 1.028 8.564 ( -1.018 0.000 -0.116) 1.024 8.663 ( -0.034 0.000 0.012) 0.036 8.665 ( 0.034 0.000 -0.092) 0.099 8.688 ( 1.278 0.000 0.162) 1.288 8.689 ( 1.095 0.000 0.286) 1.131 8.691 ( -0.228 0.000 0.330) 0.402 8.700 ( -0.137 0.000 0.726) 0.739 8.704 ( 0.447 0.000 -0.565) 0.720 8.707 ( 0.466 0.000 -0.490) 0.676 8.712 ( 1.764 0.000 -0.048) 1.764 8.718 ( 1.546 0.000 -0.254) 1.567 8.733 ( -0.452 0.000 0.104) 0.464 8.744 ( -0.528 0.000 -0.007) 0.528 8.798 ( -2.010 0.000 0.063) 2.011 8.809 ( -2.171 0.000 -0.050) 2.172 8.814 ( -2.105 0.000 0.065) 2.106 8.822 ( -2.184 0.000 -0.054) 2.184======================= Grid point 3 (4/26) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( 1.147 0.000 -0.573) 1.282 0.631 ( 10.385 0.000 0.123) 10.386 0.657 ( -4.181 0.000 -1.277) 4.372 0.695 ( 3.372 0.000 0.935) 3.500 0.703 ( -0.178 0.000 -0.275) 0.328 0.714 ( 0.441 0.000 0.316) 0.543 0.718 ( -1.121 0.000 -0.384) 1.186 0.733 ( -0.684 0.000 0.815) 1.064 0.745 ( 1.068 0.000 0.947) 1.427 0.796 ( 7.978 0.000 2.866) 8.477 0.814 ( 4.121 0.000 -2.068) 4.611 0.848 ( 9.953 0.000 2.205) 10.194 0.919 ( 8.463 0.000 -0.727) 8.494 0.978 ( 1.118 0.000 1.604) 1.955 0.986 ( 3.681 0.000 2.374) 4.381 1.036 ( -0.745 0.000 -0.743) 1.052 1.086 ( 7.869 0.000 -2.578) 8.281 1.097 ( 3.320 0.000 -1.451) 3.623 1.136 ( 1.814 0.000 -1.788) 2.547 1.139 ( 2.679 0.000 0.434) 2.714 1.155 ( -0.853 0.000 -0.136) 0.863 1.234 ( 4.166 0.000 -0.765) 4.236 1.286 ( -2.763 0.000 -0.437) 2.797 1.320 ( 3.992 0.000 1.173) 4.161 1.344 ( 1.280 0.000 2.739) 3.023 1.357 ( -0.840 0.000 0.378) 0.921 1.391 ( -5.798 0.000 -0.559) 5.825 1.405 ( -3.898 0.000 -0.123) 3.900 1.407 ( 3.443 0.000 1.980) 3.972 1.421 ( 2.825 0.000 2.125) 3.535 1.483 ( 3.862 0.000 -2.268) 4.479 1.506 ( 2.641 0.000 -2.002) 3.314 1.519 ( 0.693 0.000 -1.680) 1.817 1.568 ( 2.975 0.000 1.166) 3.196 1.578 ( 4.596 0.000 1.676) 4.892 1.594 ( 0.272 0.000 -2.374) 2.390 1.597 ( -0.583 0.000 0.511) 0.775 1.614 ( -1.825 0.000 0.487) 1.889 1.824 ( -3.680 0.000 -2.063) 4.219 1.845 ( 2.148 0.000 0.198) 2.157 1.871 ( -2.856 0.000 -2.310) 3.674 1.885 ( 2.412 0.000 0.498) 2.463 1.926 ( 0.856 0.000 0.668) 1.086 1.988 ( 1.179 0.000 1.051) 1.580 2.042 ( 10.355 0.000 -0.073) 10.355 2.059 ( 2.051 0.000 0.146) 2.057 2.062 ( 9.687 0.000 -0.223) 9.689 2.069 ( 7.888 0.000 0.126) 7.889 2.106 ( 6.855 0.000 0.321) 6.862 2.127 ( -0.740 0.000 -0.317) 0.805 2.129 ( -0.388 0.000 -0.289) 0.484 2.157 ( -1.842 0.000 -0.109) 1.845 2.299 ( -2.958 0.000 -0.255) 2.969 2.318 ( -2.788 0.000 -0.260) 2.800 2.428 ( -4.723 0.000 1.009) 4.830 2.434 ( -4.725 0.000 0.927) 4.815 3.034 ( 0.087 0.000 -0.331) 0.343 3.038 ( 0.303 0.000 -0.437) 0.532 3.040 ( 0.385 0.000 -0.562) 0.681 3.065 ( 0.268 0.000 -0.607) 0.663 3.249 ( -0.642 0.000 1.113) 1.285 3.279 ( -0.283 0.000 0.869) 0.914 3.356 ( -0.064 0.000 -0.244) 0.252 3.369 ( -0.231 0.000 -0.619) 0.661 3.539 ( -3.803 0.000 0.449) 3.829 3.557 ( -3.752 0.000 0.354) 3.769 3.647 ( -0.322 0.000 1.123) 1.169 3.655 ( -1.265 0.000 1.152) 1.711 3.696 ( -1.446 0.000 -1.359) 1.984 3.707 ( -2.275 0.000 -1.057) 2.509 3.807 ( -0.178 0.000 0.198) 0.266 3.826 ( -1.043 0.000 -0.234) 1.069 3.833 ( -1.080 0.000 0.257) 1.111 3.847 ( 0.053 0.000 0.178) 0.186 3.900 ( 0.202 0.000 0.129) 0.240 3.915 ( 0.571 0.000 0.100) 0.579 3.945 ( 4.865 0.000 1.050) 4.977 3.949 ( -0.791 0.000 0.089) 0.796 3.964 ( 4.741 0.000 1.121) 4.872 3.966 ( 0.219 0.000 0.330) 0.396 4.071 ( 3.399 0.000 -2.325) 4.118 4.072 ( 3.237 0.000 -2.317) 3.981 4.125 ( 0.224 0.000 0.482) 0.531 4.133 ( 0.258 0.000 0.379) 0.459 4.236 ( -4.823 0.000 -1.666) 5.103 4.237 ( -4.827 0.000 -1.558) 5.072 4.330 ( -4.528 0.000 1.563) 4.790 4.330 ( -4.493 0.000 1.727) 4.813 4.491 ( 3.660 0.000 0.719) 3.730 4.501 ( 3.484 0.000 0.630) 3.541 4.513 ( 2.076 0.000 -1.129) 2.364 4.514 ( 1.930 0.000 -1.016) 2.181 4.539 ( 3.333 0.000 -1.029) 3.488 4.550 ( 3.484 0.000 -1.101) 3.654 4.561 ( 3.341 0.000 0.980) 3.482 4.562 ( 3.352 0.000 0.994) 3.496 4.584 ( 3.209 0.000 1.042) 3.374 4.586 ( 3.974 0.000 0.793) 4.052 4.609 ( 3.184 0.000 0.718) 3.264 4.616 ( 3.052 0.000 0.655) 3.121 4.656 ( 1.225 0.000 -1.261) 1.758 4.661 ( 1.037 0.000 -1.366) 1.715 4.662 ( 2.282 0.000 -0.150) 2.287 4.663 ( 1.786 0.000 0.201) 1.797 4.920 ( -4.389 0.000 0.221) 4.394 4.925 ( -4.625 0.000 0.196) 4.629 4.948 ( -3.791 0.000 -0.204) 3.797 4.952 ( -0.758 0.000 0.112) 0.766 4.953 ( -4.025 0.000 -0.242) 4.032 4.957 ( -1.125 0.000 0.152) 1.135 5.001 ( -1.454 0.000 0.319) 1.489 5.002 ( -1.494 0.000 0.329) 1.530 5.161 ( 0.138 0.000 -0.454) 0.474 5.162 ( 0.088 0.000 -0.469) 0.477 5.182 ( -0.592 0.000 0.880) 1.061 5.183 ( -0.487 0.000 0.924) 1.044 5.286 ( -0.405 0.000 -1.538) 1.590 5.288 ( -0.319 0.000 -1.647) 1.677 5.314 ( -0.597 0.000 0.822) 1.016 5.317 ( -0.208 0.000 0.765) 0.792 5.331 ( -0.628 0.000 0.169) 0.650 5.333 ( 0.517 0.000 -0.121) 0.531 5.365 ( -0.518 0.000 0.071) 0.523 5.369 ( -0.327 0.000 0.012) 0.328 5.432 ( -4.144 0.000 -0.077) 4.144 5.440 ( -4.614 0.000 0.289) 4.623 5.477 ( -4.035 0.000 0.325) 4.048 5.479 ( -4.028 0.000 0.088) 4.029 5.630 ( -0.275 0.000 -0.262) 0.380 5.637 ( 0.369 0.000 0.260) 0.451 5.640 ( -0.507 0.000 -0.441) 0.672 5.648 ( 0.094 0.000 0.144) 0.172 5.691 ( -4.526 0.000 -0.965) 4.628 5.692 ( -5.123 0.000 -0.980) 5.216 5.706 ( -4.176 0.000 1.239) 4.356 5.708 ( -4.239 0.000 1.157) 4.394 5.788 ( -0.165 0.000 0.130) 0.210 5.791 ( -0.225 0.000 0.142) 0.266 5.801 ( -0.327 0.000 -0.119) 0.348 5.802 ( -0.383 0.000 -0.175) 0.421 6.079 ( 6.208 0.000 1.265) 6.336 6.080 ( 6.151 0.000 1.276) 6.282 6.103 ( 4.995 0.000 -1.348) 5.174 6.105 ( 5.044 0.000 -1.358) 5.223 6.115 ( -0.097 0.000 -0.788) 0.794 6.116 ( -0.003 0.000 -0.783) 0.783 6.161 ( 0.976 0.000 0.931) 1.349 6.161 ( 1.059 0.000 0.894) 1.386 6.456 ( -7.483 0.000 -0.670) 7.512 6.456 ( -7.470 0.000 -0.678) 7.501 6.481 ( -7.791 0.000 0.468) 7.805 6.482 ( -7.666 0.000 0.441) 7.679 6.496 ( -0.127 0.000 0.008) 0.127 6.497 ( -0.209 0.000 0.019) 0.210 6.514 ( 0.257 0.000 -0.034) 0.259 6.518 ( 0.300 0.000 -0.056) 0.305 6.667 ( 1.547 0.000 0.017) 1.547 6.668 ( 1.499 0.000 -0.036) 1.500 6.695 ( 1.263 0.000 0.011) 1.263 6.697 ( 1.192 0.000 0.070) 1.194 6.817 ( 0.069 0.000 0.268) 0.276 6.819 ( 1.561 0.000 -0.667) 1.698 6.820 ( 1.707 0.000 -0.723) 1.854 6.821 ( 0.090 0.000 0.249) 0.265 6.846 ( 0.374 0.000 0.506) 0.629 6.849 ( 0.303 0.000 0.518) 0.600 6.853 ( -0.305 0.000 -0.012) 0.305 6.864 ( -0.396 0.000 0.035) 0.397 6.956 ( 0.401 0.000 0.063) 0.406 6.960 ( 0.436 0.000 0.085) 0.444 6.972 ( 0.372 0.000 -0.088) 0.383 6.976 ( 0.369 0.000 -0.049) 0.372 7.138 ( -0.601 0.000 -0.260) 0.655 7.146 ( 0.117 0.000 0.316) 0.337 7.147 ( -0.486 0.000 -0.204) 0.527 7.153 ( 0.137 0.000 0.266) 0.299 7.362 ( 3.144 0.000 -0.061) 3.145 7.366 ( 3.078 0.000 -0.052) 3.078 7.373 ( 3.200 0.000 0.064) 3.201 7.375 ( 3.111 0.000 0.057) 3.111 7.423 ( 5.375 0.000 0.356) 5.387 7.424 ( 5.421 0.000 0.332) 5.431 7.436 ( 5.410 0.000 -0.370) 5.422 7.439 ( 5.527 0.000 -0.375) 5.540 7.628 ( -4.536 0.000 -0.396) 4.554 7.630 ( -4.517 0.000 -0.455) 4.540 7.635 ( -4.521 0.000 0.393) 4.538 7.641 ( -4.496 0.000 0.440) 4.517 7.862 ( 1.937 0.000 0.075) 1.939 7.864 ( 1.941 0.000 0.052) 1.941 7.898 ( 1.804 0.000 -0.070) 1.805 7.902 ( 1.768 0.000 -0.050) 1.769 8.405 ( 0.447 0.000 -0.311) 0.545 8.406 ( 0.496 0.000 -0.306) 0.583 8.453 ( 1.077 0.000 0.231) 1.101 8.454 ( 1.062 0.000 0.193) 1.080 8.485 ( -0.863 0.000 0.170) 0.880 8.486 ( -0.895 0.000 0.193) 0.916 8.536 ( -1.566 0.000 -0.046) 1.566 8.537 ( -1.562 0.000 -0.076) 1.564 8.665 ( 0.224 0.000 -0.074) 0.236 8.668 ( 0.401 0.000 -0.182) 0.440 8.693 ( 0.369 0.000 0.105) 0.384 8.695 ( 0.356 0.000 0.247) 0.433 8.700 ( 0.069 0.000 0.256) 0.265 8.701 ( 0.460 0.000 0.231) 0.514 8.717 ( 0.496 0.000 -0.514) 0.714 8.727 ( 0.895 0.000 -0.648) 1.106 8.734 ( 0.592 0.000 -0.030) 0.593 8.739 ( 0.093 0.000 0.021) 0.095 8.743 ( 0.949 0.000 0.219) 0.974 8.747 ( 0.600 0.000 0.312) 0.676 8.758 ( -2.016 0.000 0.244) 2.031 8.767 ( -1.482 0.000 -0.224) 1.499 8.772 ( -2.130 0.000 0.157) 2.136 8.780 ( -1.866 0.000 -0.152) 1.872======================= Grid point 4 (5/26) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 14Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( 0.000 0.000 0.000) 0.000 0.611 ( 0.000 0.000 0.000) 0.000 0.690 ( 0.000 0.000 -0.000) 0.000 0.691 ( -0.000 0.000 0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.704 ( 0.000 0.000 0.000) 0.000 0.734 ( 0.000 0.000 0.000) 0.000 0.737 ( 0.000 0.000 -0.000) 0.000 0.873 ( -0.000 0.000 -0.000) 0.000 0.887 ( 0.000 0.000 0.000) 0.000 0.890 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 0.000) 0.000 0.963 ( 0.000 0.000 -0.000) 0.000 1.019 ( 0.000 0.000 0.000) 0.000 1.040 ( 0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.196 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.250 ( -0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.323 ( 0.000 0.000 -0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 -0.000) 0.000 1.518 ( 0.000 0.000 -0.000) 0.000 1.520 ( 0.000 0.000 -0.000) 0.000 1.527 ( 0.000 0.000 -0.000) 0.000 1.541 ( -0.000 0.000 -0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.925 ( -0.000 0.000 -0.000) 0.000 1.975 ( 0.000 0.000 -0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.262 ( -0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 -0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 -0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 -0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 -0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 -0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 -0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.137 ( -0.000 0.000 -0.000) 0.000 4.146 ( -0.000 0.000 -0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 -0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.602 ( -0.000 0.000 -0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.768 ( -0.000 0.000 0.000) 0.000 4.776 ( -0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 -0.000) 0.000 4.789 ( 0.000 0.000 -0.000) 0.000 4.803 ( -0.000 0.000 0.000) 0.000 4.805 ( -0.000 0.000 -0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 -0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 -0.000) 0.000 5.310 ( 0.000 0.000 -0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 -0.000) 0.000 5.402 ( 0.000 0.000 -0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 -0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 -0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 -0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.342 ( -0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 -0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.516 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 -0.000) 0.000 6.685 ( -0.009 0.000 -0.006) 0.011 6.685 ( 0.009 0.000 0.006) 0.011 6.710 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 -0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 -0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.407 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.533 ( -0.000 0.000 -0.000) 0.000 7.534 ( -0.000 0.000 -0.000) 0.000 7.554 ( -0.000 0.000 0.000) 0.000 7.560 ( -0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 -0.000) 0.000 7.918 ( 0.000 0.000 -0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.468 ( -0.000 0.000 0.000) 0.000 8.469 ( -0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 -0.000) 0.000 8.477 ( -0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.709 ( -0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 8.729 ( -0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 -0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.748 ( -0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 -0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/26) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.068 ( 0.000 3.280 0.000) 3.280 0.106 ( 0.000 -1.231 0.000) 1.231 0.133 ( 0.000 6.796 0.000) 6.796 0.220 ( 0.000 -3.062 0.000) 3.062 0.302 ( 0.000 15.890 0.000) 15.890 0.492 ( 0.000 2.436 0.000) 2.436 0.510 ( 0.000 -6.422 0.000) 6.422 0.565 ( 0.000 -5.920 0.000) 5.920 0.605 ( 0.000 0.347 0.000) 0.347 0.637 ( 0.000 -4.698 0.000) 4.698 0.712 ( 0.000 -0.114 0.000) 0.114 0.713 ( 0.000 -0.406 0.000) 0.406 0.796 ( 0.000 3.151 0.000) 3.151 0.827 ( 0.000 -0.662 0.000) 0.662 0.832 ( 0.000 2.831 0.000) 2.831 0.865 ( 0.000 0.190 0.000) 0.190 0.889 ( 0.000 0.668 0.000) 0.668 0.926 ( 0.000 1.941 0.000) 1.941 0.932 ( 0.000 -2.791 0.000) 2.791 0.959 ( 0.000 -1.972 0.000) 1.972 1.017 ( 0.000 1.090 0.000) 1.090 1.017 ( 0.000 2.144 0.000) 2.144 1.051 ( 0.000 0.790 0.000) 0.790 1.052 ( 0.000 3.368 0.000) 3.368 1.097 ( 0.000 -2.993 0.000) 2.993 1.114 ( 0.000 -3.085 0.000) 3.085 1.232 ( 0.000 0.543 0.000) 0.543 1.237 ( 0.000 -0.136 0.000) 0.136 1.303 ( 0.000 0.333 0.000) 0.333 1.307 ( 0.000 -0.119 0.000) 0.119 1.342 ( 0.000 0.818 0.000) 0.818 1.357 ( 0.000 -0.881 0.000) 0.881 1.469 ( 0.000 0.491 0.000) 0.491 1.488 ( 0.000 -1.527 0.000) 1.527 1.552 ( 0.000 -0.204 0.000) 0.204 1.560 ( 0.000 -1.297 0.000) 1.297 1.615 ( 0.000 0.329 0.000) 0.329 1.615 ( 0.000 0.392 0.000) 0.392 1.649 ( 0.000 1.086 0.000) 1.086 1.661 ( 0.000 -0.336 0.000) 0.336 1.752 ( 0.000 0.332 0.000) 0.332 1.770 ( 0.000 -1.917 0.000) 1.917 1.835 ( 0.000 0.139 0.000) 0.139 1.837 ( 0.000 -0.264 0.000) 0.264 1.915 ( 0.000 2.181 0.000) 2.181 1.923 ( 0.000 2.595 0.000) 2.595 1.950 ( 0.000 -1.526 0.000) 1.526 1.960 ( 0.000 -1.344 0.000) 1.344 2.287 ( 0.000 1.123 0.000) 1.123 2.304 ( 0.000 -0.724 0.000) 0.724 2.335 ( 0.000 0.223 0.000) 0.223 2.346 ( 0.000 -0.931 0.000) 0.931 2.356 ( 0.000 0.895 0.000) 0.895 2.366 ( 0.000 -0.231 0.000) 0.231 2.396 ( 0.000 0.217 0.000) 0.217 2.399 ( 0.000 -0.062 0.000) 0.062 3.031 ( 0.000 0.047 0.000) 0.047 3.031 ( 0.000 0.140 0.000) 0.140 3.031 ( 0.000 0.670 0.000) 0.670 3.047 ( 0.000 -0.851 0.000) 0.851 3.272 ( 0.000 -0.122 0.000) 0.122 3.276 ( 0.000 -0.561 0.000) 0.561 3.427 ( 0.000 -0.113 0.000) 0.113 3.431 ( 0.000 -0.663 0.000) 0.663 3.672 ( 0.000 0.101 0.000) 0.101 3.674 ( 0.000 -0.132 0.000) 0.132 3.695 ( 0.000 0.940 0.000) 0.940 3.706 ( 0.000 -0.256 0.000) 0.256 3.722 ( 0.000 0.671 0.000) 0.671 3.727 ( 0.000 0.016 0.000) 0.016 3.784 ( 0.000 0.360 0.000) 0.360 3.790 ( 0.000 -0.139 0.000) 0.139 3.825 ( 0.000 0.737 0.000) 0.737 3.838 ( 0.000 -0.647 0.000) 0.647 3.893 ( 0.000 2.267 0.000) 2.267 3.937 ( 0.000 -2.446 0.000) 2.446 4.033 ( 0.000 0.080 0.000) 0.080 4.034 ( 0.000 -0.095 0.000) 0.095 4.089 ( 0.000 0.021 0.000) 0.021 4.089 ( 0.000 -0.005 0.000) 0.005 4.118 ( 0.000 -0.047 0.000) 0.047 4.120 ( 0.000 -0.219 0.000) 0.219 4.138 ( 0.000 0.314 0.000) 0.314 4.146 ( 0.000 -0.463 0.000) 0.463 4.252 ( 0.000 0.227 0.000) 0.227 4.255 ( 0.000 -0.117 0.000) 0.117 4.300 ( 0.000 0.064 0.000) 0.064 4.301 ( 0.000 -0.017 0.000) 0.017 4.329 ( 0.000 0.271 0.000) 0.271 4.334 ( 0.000 -0.216 0.000) 0.216 4.445 ( 0.000 0.224 0.000) 0.224 4.449 ( 0.000 -0.246 0.000) 0.246 4.486 ( 0.000 0.047 0.000) 0.047 4.487 ( 0.000 -0.045 0.000) 0.045 4.490 ( 0.000 0.049 0.000) 0.049 4.491 ( 0.000 -0.095 0.000) 0.095 4.578 ( 0.000 0.062 0.000) 0.062 4.579 ( 0.000 -0.080 0.000) 0.080 4.616 ( 0.000 0.002 0.000) 0.002 4.616 ( 0.000 0.002 0.000) 0.002 4.625 ( 0.000 0.040 0.000) 0.040 4.625 ( 0.000 -0.016 0.000) 0.016 4.671 ( 0.000 0.114 0.000) 0.114 4.673 ( 0.000 -0.131 0.000) 0.131 4.944 ( 0.000 0.134 0.000) 0.134 4.946 ( 0.000 -0.147 0.000) 0.147 5.021 ( 0.000 0.073 0.000) 0.073 5.022 ( 0.000 -0.072 0.000) 0.072 5.070 ( 0.000 0.242 0.000) 0.242 5.075 ( 0.000 -0.236 0.000) 0.236 5.129 ( 0.000 0.290 0.000) 0.290 5.135 ( 0.000 -0.336 0.000) 0.336 5.156 ( 0.000 0.019 0.000) 0.019 5.157 ( 0.000 -0.019 0.000) 0.019 5.205 ( 0.000 0.041 0.000) 0.041 5.206 ( 0.000 -0.031 0.000) 0.031 5.230 ( 0.000 0.098 0.000) 0.098 5.232 ( 0.000 -0.110 0.000) 0.110 5.238 ( 0.000 0.107 0.000) 0.107 5.240 ( 0.000 -0.093 0.000) 0.093 5.314 ( 0.000 0.021 0.000) 0.021 5.314 ( 0.000 -0.032 0.000) 0.032 5.389 ( 0.000 0.141 0.000) 0.141 5.392 ( 0.000 -0.158 0.000) 0.158 5.558 ( 0.000 0.086 0.000) 0.086 5.559 ( 0.000 -0.064 0.000) 0.064 5.571 ( 0.000 0.415 0.000) 0.415 5.578 ( 0.000 -0.372 0.000) 0.372 5.611 ( 0.000 0.165 0.000) 0.165 5.614 ( 0.000 -0.177 0.000) 0.177 5.634 ( 0.000 0.079 0.000) 0.079 5.635 ( 0.000 -0.061 0.000) 0.061 5.679 ( 0.000 0.118 0.000) 0.118 5.682 ( 0.000 -0.160 0.000) 0.160 5.687 ( 0.000 0.420 0.000) 0.420 5.694 ( 0.000 -0.361 0.000) 0.361 5.791 ( 0.000 0.119 0.000) 0.119 5.794 ( 0.000 -0.153 0.000) 0.153 5.811 ( 0.000 0.027 0.000) 0.027 5.811 ( 0.000 -0.026 0.000) 0.026 6.123 ( 0.000 0.092 0.000) 0.092 6.125 ( 0.000 -0.124 0.000) 0.124 6.133 ( 0.000 0.038 0.000) 0.038 6.134 ( 0.000 -0.008 0.000) 0.008 6.386 ( 0.000 0.043 0.000) 0.043 6.387 ( 0.000 -0.042 0.000) 0.042 6.403 ( 0.000 0.091 0.000) 0.091 6.404 ( 0.000 -0.091 0.000) 0.091 6.438 ( 0.000 0.034 0.000) 0.034 6.438 ( 0.000 -0.036 0.000) 0.036 6.473 ( 0.000 0.015 0.000) 0.015 6.473 ( 0.000 -0.019 0.000) 0.019 6.498 ( 0.000 0.082 0.000) 0.082 6.500 ( 0.000 -0.088 0.000) 0.088 6.522 ( 0.000 0.017 0.000) 0.017 6.522 ( 0.000 -0.024 0.000) 0.024 6.673 ( 0.000 0.152 0.000) 0.152 6.676 ( 0.000 -0.157 0.000) 0.157 6.714 ( 0.000 0.200 0.000) 0.200 6.718 ( 0.000 -0.202 0.000) 0.202 6.736 ( 0.000 0.048 0.000) 0.048 6.737 ( 0.000 -0.044 0.000) 0.044 6.757 ( 0.000 0.207 0.000) 0.207 6.761 ( 0.000 -0.202 0.000) 0.202 6.853 ( 0.000 0.190 0.000) 0.190 6.857 ( 0.000 -0.185 0.000) 0.185 6.895 ( 0.000 0.046 0.000) 0.046 6.896 ( 0.000 -0.050 0.000) 0.050 6.932 ( 0.000 0.023 0.000) 0.023 6.933 ( 0.000 -0.025 0.000) 0.025 6.951 ( 0.000 0.055 0.000) 0.055 6.952 ( 0.000 -0.052 0.000) 0.052 7.133 ( 0.000 0.254 0.000) 0.254 7.138 ( 0.000 -0.257 0.000) 0.257 7.151 ( 0.000 0.250 0.000) 0.250 7.155 ( 0.000 -0.234 0.000) 0.234 7.199 ( 0.000 0.201 0.000) 0.201 7.203 ( 0.000 -0.206 0.000) 0.206 7.204 ( 0.000 0.083 0.000) 0.083 7.205 ( 0.000 -0.086 0.000) 0.086 7.393 ( 0.000 0.013 0.000) 0.013 7.393 ( 0.000 -0.015 0.000) 0.015 7.396 ( 0.000 0.101 0.000) 0.101 7.397 ( 0.000 -0.105 0.000) 0.105 7.610 ( 0.000 0.006 0.000) 0.006 7.611 ( 0.000 -0.021 0.000) 0.021 7.637 ( 0.000 0.058 0.000) 0.058 7.638 ( 0.000 -0.035 0.000) 0.035 7.795 ( 0.000 0.122 0.000) 0.122 7.798 ( 0.000 -0.122 0.000) 0.122 7.815 ( 0.000 0.046 0.000) 0.046 7.815 ( 0.000 -0.046 0.000) 0.046 8.400 ( 0.000 0.051 0.000) 0.051 8.401 ( 0.000 -0.051 0.000) 0.051 8.423 ( 0.000 0.028 0.000) 0.028 8.424 ( 0.000 -0.030 0.000) 0.030 8.506 ( 0.000 0.093 0.000) 0.093 8.508 ( 0.000 -0.091 0.000) 0.091 8.569 ( 0.000 0.006 0.000) 0.006 8.569 ( 0.000 -0.006 0.000) 0.006 8.637 ( 0.000 0.149 0.000) 0.149 8.640 ( 0.000 -0.169 0.000) 0.169 8.656 ( 0.000 0.064 0.000) 0.064 8.657 ( 0.000 -0.056 0.000) 0.056 8.682 ( 0.000 0.136 0.000) 0.136 8.684 ( 0.000 -0.104 0.000) 0.104 8.707 ( 0.000 0.280 0.000) 0.280 8.713 ( 0.000 -0.335 0.000) 0.335 8.714 ( 0.000 0.059 0.000) 0.059 8.715 ( 0.000 -0.063 0.000) 0.063 8.752 ( 0.000 0.307 0.000) 0.307 8.758 ( 0.000 -0.339 0.000) 0.339 8.845 ( 0.000 0.472 0.000) 0.472 8.854 ( 0.000 -0.424 0.000) 0.424 8.860 ( 0.000 0.386 0.000) 0.386 8.867 ( 0.000 -0.360 0.000) 0.360======================= Grid point 10 (7/26) =======================q-point: ( 0.12 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.275 ( 9.038 5.795 1.561) 10.849 0.324 ( 6.721 6.035 4.368) 10.034 0.347 ( 7.885 1.453 4.842) 9.366 0.487 ( 0.672 -6.656 -2.489) 7.138 0.522 ( 4.489 2.616 -1.031) 5.297 0.594 ( 11.211 -4.581 0.074) 12.111 0.634 ( 21.528 0.950 2.405) 21.683 0.664 ( 13.906 -2.375 2.950) 14.412 0.724 ( 3.943 0.527 0.579) 4.020 0.735 ( 5.655 -0.435 1.442) 5.853 0.779 ( 5.101 1.889 -4.336) 6.956 0.787 ( 1.328 2.589 -1.510) 3.278 0.820 ( 3.325 1.411 -0.114) 3.614 0.841 ( -0.184 -0.994 -1.565) 1.863 0.862 ( 0.375 -1.088 -1.975) 2.286 0.872 ( -3.014 -1.057 2.784) 4.238 0.911 ( 6.494 0.975 -1.796) 6.808 0.924 ( 7.809 -0.171 -2.156) 8.103 0.960 ( 9.256 0.993 2.003) 9.522 0.977 ( 11.618 -0.602 2.648) 11.931 1.031 ( 1.519 3.099 1.332) 3.699 1.045 ( 2.398 3.070 0.191) 3.901 1.077 ( 3.798 -1.454 0.754) 4.136 1.098 ( 1.103 -0.472 -0.037) 1.201 1.101 ( 4.294 -0.952 -0.900) 4.489 1.141 ( 4.914 -2.502 -1.728) 5.778 1.192 ( -0.032 0.408 -0.612) 0.736 1.204 ( 0.495 -0.724 -1.269) 1.542 1.352 ( 3.113 0.982 -0.193) 3.270 1.360 ( 1.361 0.223 0.163) 1.389 1.367 ( 0.821 -0.398 0.748) 1.179 1.371 ( 3.761 -0.746 0.445) 3.860 1.495 ( 1.795 0.052 0.599) 1.893 1.504 ( 1.511 -1.021 0.487) 1.887 1.553 ( 0.391 -0.260 -0.169) 0.499 1.560 ( 0.129 -1.216 -0.222) 1.243 1.606 ( -1.562 0.670 -2.206) 2.785 1.612 ( -1.009 0.214 -3.081) 3.249 1.654 ( 2.289 0.995 1.884) 3.127 1.669 ( 1.547 -0.577 1.956) 2.560 1.777 ( 1.907 0.506 0.766) 2.116 1.794 ( 1.650 -1.578 0.913) 2.459 1.831 ( -0.072 0.194 -0.093) 0.227 1.838 ( -0.104 -0.690 -0.442) 0.826 1.919 ( 0.466 2.160 -0.245) 2.223 1.936 ( 1.166 2.413 -0.412) 2.712 1.958 ( 0.741 -1.564 0.009) 1.731 1.972 ( 1.268 -1.293 -0.412) 1.858 2.251 ( -4.143 1.277 0.067) 4.336 2.273 ( -4.116 -1.075 0.170) 4.257 2.308 ( -3.277 0.639 -0.405) 3.364 2.321 ( -3.414 -0.823 -0.460) 3.542 2.345 ( 0.151 0.775 -0.768) 1.101 2.355 ( -0.029 -0.325 -0.699) 0.771 2.419 ( 2.223 0.075 1.279) 2.566 2.420 ( 2.313 -0.043 1.175) 2.595 3.033 ( 0.377 0.524 -0.544) 0.844 3.034 ( 0.468 0.306 -0.682) 0.882 3.035 ( 0.481 -0.001 -0.681) 0.834 3.049 ( 0.303 -0.841 -0.309) 0.945 3.267 ( -0.715 0.027 1.070) 1.287 3.274 ( -0.446 -0.694 0.911) 1.229 3.406 ( -1.836 -0.328 -0.709) 1.995 3.408 ( -1.401 -0.519 -0.641) 1.625 3.664 ( -1.416 -0.018 0.980) 1.722 3.667 ( -1.101 -0.388 0.802) 1.416 3.683 ( -1.247 1.081 0.690) 1.789 3.695 ( -1.058 -0.119 0.666) 1.255 3.745 ( 1.612 0.427 -0.205) 1.680 3.745 ( 1.614 0.281 -0.293) 1.665 3.793 ( 1.076 0.322 0.268) 1.155 3.797 ( 0.893 0.110 0.095) 0.905 3.827 ( 0.234 0.733 0.172) 0.789 3.844 ( 0.472 -0.938 -0.023) 1.050 3.882 ( -0.958 1.749 -0.355) 2.026 3.911 ( -1.212 -1.011 -0.343) 1.616 4.017 ( -5.484 0.049 0.325) 5.494 4.019 ( -5.167 -0.200 0.257) 5.177 4.027 ( -0.396 0.097 -1.344) 1.404 4.028 ( -0.375 -0.009 -1.335) 1.387 4.054 ( -6.137 0.577 -0.326) 6.172 4.066 ( -5.849 -0.665 -0.206) 5.891 4.110 ( 0.159 0.113 0.182) 0.267 4.114 ( 0.205 -0.278 0.067) 0.352 4.311 ( 3.245 0.195 0.181) 3.256 4.315 ( 3.105 -0.183 0.153) 3.114 4.349 ( 3.162 0.143 0.141) 3.169 4.350 ( 2.777 0.183 0.354) 2.806 4.351 ( 3.409 -0.090 0.019) 3.410 4.353 ( 2.261 -0.156 0.433) 2.307 4.437 ( 0.324 0.199 -2.110) 2.144 4.441 ( 0.283 -0.255 -2.024) 2.060 4.474 ( -1.363 0.015 0.295) 1.394 4.475 ( -1.220 -0.027 0.142) 1.229 4.510 ( 0.802 0.080 1.147) 1.402 4.511 ( 0.735 -0.086 1.218) 1.425 4.584 ( -1.949 0.062 1.258) 2.320 4.584 ( -2.152 0.001 1.007) 2.376 4.594 ( 0.331 0.083 0.193) 0.392 4.595 ( 0.645 -0.093 0.656) 0.924 4.604 ( -1.369 0.043 -0.304) 1.403 4.605 ( -1.297 -0.027 -0.367) 1.348 4.675 ( 0.232 -0.006 -0.554) 0.601 4.675 ( 0.157 -0.029 -0.618) 0.639 4.938 ( -0.315 0.095 -0.233) 0.403 4.940 ( -0.381 -0.098 -0.255) 0.469 5.011 ( -0.849 0.089 -0.030) 0.854 5.013 ( -0.829 -0.088 0.007) 0.833 5.061 ( -1.522 0.029 1.442) 2.097 5.063 ( -1.508 -0.122 1.046) 1.839 5.093 ( -2.967 0.145 -0.658) 3.042 5.094 ( -3.049 0.106 -0.568) 3.104 5.160 ( 0.103 0.060 0.036) 0.124 5.161 ( 0.088 -0.078 0.142) 0.184 5.193 ( -0.964 0.037 0.942) 1.348 5.194 ( -0.954 -0.038 0.845) 1.275 5.249 ( 1.885 0.094 0.289) 1.909 5.251 ( 1.861 -0.105 0.266) 1.883 5.265 ( 2.311 0.110 -0.767) 2.437 5.267 ( 2.308 -0.093 -0.774) 2.436 5.313 ( -0.027 -0.000 -0.633) 0.633 5.313 ( 0.061 -0.016 -0.614) 0.617 5.385 ( -0.453 0.108 0.300) 0.554 5.387 ( -0.513 -0.116 0.300) 0.605 5.569 ( -0.230 0.083 0.316) 0.400 5.570 ( -0.277 -0.080 0.221) 0.363 5.581 ( -0.297 0.223 0.535) 0.651 5.584 ( -0.678 -0.141 0.464) 0.834 5.610 ( 0.339 0.352 0.059) 0.492 5.617 ( 0.687 -0.402 0.050) 0.797 5.625 ( -0.303 0.158 -0.370) 0.504 5.628 ( -0.105 -0.150 -0.397) 0.437 5.707 ( 2.848 0.134 -0.445) 2.886 5.710 ( 2.602 -0.214 -0.511) 2.661 5.713 ( 3.197 0.038 0.533) 3.241 5.714 ( 3.106 -0.039 0.433) 3.137 5.791 ( -0.036 0.084 0.030) 0.096 5.793 ( -0.085 -0.125 0.026) 0.153 5.810 ( -0.170 0.071 -0.058) 0.193 5.811 ( -0.120 -0.034 -0.070) 0.143 6.089 ( -3.191 0.024 -0.136) 3.193 6.090 ( -3.249 -0.077 -0.234) 3.258 6.102 ( -3.063 0.038 0.030) 3.063 6.103 ( -3.071 -0.019 0.071) 3.072 6.326 ( -7.760 0.051 -0.411) 7.771 6.327 ( -7.331 -0.102 -0.071) 7.332 6.328 ( -6.902 0.027 0.224) 6.906 6.329 ( -6.883 -0.046 0.215) 6.887 6.457 ( 0.643 0.091 0.089) 0.655 6.459 ( 0.656 -0.098 0.056) 0.666 6.471 ( 0.357 0.080 -0.083) 0.376 6.473 ( 0.412 -0.097 -0.053) 0.427 6.493 ( 3.864 0.113 0.519) 3.900 6.496 ( 3.702 -0.200 0.912) 3.818 6.556 ( 2.604 0.088 0.033) 2.605 6.558 ( 2.713 -0.074 -0.039) 2.714 6.656 ( -1.341 0.121 -0.172) 1.357 6.658 ( -1.389 -0.126 -0.168) 1.405 6.695 ( -1.575 0.158 0.206) 1.596 6.698 ( -1.638 -0.159 0.218) 1.660 6.787 ( 2.037 0.078 -0.773) 2.180 6.787 ( 2.371 0.093 0.937) 2.551 6.788 ( 1.900 -0.085 -0.799) 2.063 6.791 ( 2.039 -0.292 1.321) 2.447 6.865 ( 0.844 -0.010 0.065) 0.847 6.866 ( 0.670 -0.098 -0.042) 0.679 6.886 ( -0.680 0.401 0.104) 0.796 6.891 ( -0.643 -0.175 0.116) 0.676 6.935 ( 0.240 0.034 0.008) 0.242 6.936 ( 0.274 -0.039 0.034) 0.279 6.954 ( 0.354 0.071 -0.036) 0.363 6.955 ( 0.373 -0.067 -0.018) 0.380 7.153 ( 0.919 0.147 -0.041) 0.932 7.157 ( 0.826 -0.196 -0.059) 0.851 7.171 ( 0.878 0.346 -0.044) 0.945 7.176 ( 0.753 -0.158 -0.035) 0.771 7.212 ( 2.291 0.160 0.020) 2.297 7.215 ( 2.155 0.029 -0.035) 2.155 7.216 ( 2.173 -0.040 -0.009) 2.174 7.218 ( 2.143 -0.126 -0.053) 2.147 7.338 ( -3.068 0.033 0.005) 3.068 7.339 ( -3.019 -0.063 0.040) 3.020 7.340 ( -2.779 0.038 0.043) 2.780 7.341 ( -2.774 -0.010 0.040) 2.774 7.686 ( 5.460 0.047 -0.145) 5.462 7.687 ( 5.522 -0.068 -0.194) 5.525 7.704 ( 4.205 0.105 0.193) 4.211 7.706 ( 4.219 -0.085 0.223) 4.225 7.776 ( -1.626 0.085 -0.050) 1.629 7.778 ( -1.680 -0.084 -0.055) 1.683 7.803 ( -0.513 0.023 -0.014) 0.513 7.803 ( -0.375 -0.059 0.007) 0.380 8.399 ( -0.019 0.036 -0.253) 0.256 8.399 ( -0.045 -0.038 -0.244) 0.251 8.425 ( 0.181 0.042 0.157) 0.243 8.426 ( 0.192 -0.042 0.158) 0.253 8.509 ( -0.085 -0.004 -0.002) 0.085 8.510 ( -0.053 -0.101 -0.170) 0.205 8.572 ( 0.083 0.032 -0.111) 0.142 8.573 ( 0.114 -0.030 -0.117) 0.166 8.655 ( 1.498 -0.022 0.180) 1.509 8.656 ( 1.494 -0.108 0.030) 1.498 8.661 ( 0.361 0.081 0.225) 0.433 8.663 ( 0.365 -0.028 0.183) 0.410 8.685 ( 0.429 0.098 0.212) 0.488 8.686 ( 0.382 -0.071 0.154) 0.419 8.704 ( -0.290 0.257 -0.079) 0.396 8.708 ( -0.421 -0.176 -0.020) 0.457 8.711 ( -0.287 -0.016 -0.129) 0.315 8.711 ( -0.267 -0.112 -0.132) 0.318 8.746 ( -0.537 0.304 -0.020) 0.617 8.752 ( -0.536 -0.339 -0.044) 0.636 8.834 ( -1.188 0.465 0.025) 1.276 8.842 ( -1.209 -0.419 0.029) 1.280 8.847 ( -1.296 0.374 -0.013) 1.349 8.854 ( -1.300 -0.339 -0.020) 1.344======================= Grid point 11 (8/26) =======================q-point: ( 0.25 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 37Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( 9.838 5.351 0.197) 11.201 0.531 ( 7.395 -3.663 -0.284) 8.257 0.561 ( 10.810 2.081 3.556) 11.568 0.592 ( 11.800 -0.829 4.245) 12.568 0.618 ( 6.081 2.406 -0.110) 6.540 0.690 ( 3.023 -4.543 0.006) 5.457 0.715 ( 0.199 0.629 0.570) 0.872 0.726 ( 0.110 -0.482 0.402) 0.638 0.749 ( -0.844 0.994 0.318) 1.342 0.766 ( -3.072 0.064 -1.221) 3.307 0.768 ( -3.484 -0.370 -0.811) 3.596 0.771 ( -2.059 -0.722 -0.448) 2.227 0.846 ( 0.559 0.584 1.182) 1.432 0.856 ( 2.743 -0.523 0.793) 2.903 0.976 ( 4.536 0.321 -1.558) 4.807 0.982 ( 4.478 -0.390 -0.604) 4.535 1.023 ( 1.384 3.937 0.827) 4.255 1.046 ( 7.992 1.207 0.772) 8.120 1.061 ( 3.555 -0.468 -1.326) 3.823 1.090 ( 4.568 -1.801 -0.183) 4.913 1.120 ( 2.671 1.254 -2.223) 3.695 1.157 ( 2.235 -2.497 -1.618) 3.721 1.188 ( 8.379 1.580 -0.243) 8.530 1.212 ( 7.561 -1.092 0.438) 7.652 1.273 ( 10.182 1.265 1.592) 10.383 1.300 ( 9.291 -1.724 -0.031) 9.450 1.351 ( 3.118 -0.027 1.086) 3.301 1.365 ( 3.920 -1.355 0.493) 4.177 1.381 ( 7.165 0.800 0.326) 7.217 1.391 ( 7.612 -0.226 1.081) 7.692 1.425 ( 4.512 1.007 1.112) 4.755 1.441 ( 3.637 -0.750 0.526) 3.750 1.514 ( -0.713 0.394 -1.190) 1.442 1.528 ( -0.998 -0.691 -1.639) 2.039 1.544 ( -1.944 0.468 -1.013) 2.241 1.561 ( -0.645 -1.260 -0.691) 1.575 1.585 ( 3.550 0.795 -0.974) 3.766 1.599 ( 3.307 -0.710 -0.954) 3.514 1.768 ( 8.978 0.207 0.690) 9.007 1.772 ( 8.281 -0.191 0.091) 8.284 1.825 ( 3.273 0.435 1.536) 3.642 1.838 ( 2.973 -0.995 0.503) 3.175 1.852 ( 3.489 0.155 -0.985) 3.629 1.858 ( 4.145 -0.486 -0.357) 4.188 1.925 ( 0.397 2.226 0.185) 2.268 1.956 ( 1.158 1.143 -0.163) 1.636 1.977 ( 1.435 -0.833 0.079) 1.662 1.998 ( 1.724 -1.208 -0.142) 2.110 2.149 ( -5.446 1.707 0.236) 5.713 2.177 ( -4.957 -1.326 0.195) 5.136 2.215 ( -5.172 0.768 -0.519) 5.254 2.227 ( -5.077 -0.557 -0.529) 5.135 2.344 ( -0.508 0.468 -1.267) 1.443 2.352 ( -0.529 -0.443 -1.199) 1.383 2.463 ( 0.417 0.128 1.821) 1.872 2.465 ( 0.493 -0.113 1.749) 1.821 3.036 ( 0.240 0.123 -0.913) 0.952 3.037 ( 0.181 -0.038 -0.741) 0.764 3.041 ( 0.549 0.667 -0.648) 1.080 3.054 ( 0.470 -0.751 -0.585) 1.062 3.259 ( -0.872 0.250 1.478) 1.734 3.270 ( -0.617 -0.936 1.288) 1.708 3.370 ( -1.283 0.085 -0.648) 1.440 3.378 ( -1.140 -0.758 -0.793) 1.582 3.626 ( -3.699 0.457 0.674) 3.787 3.631 ( -3.415 -0.301 0.688) 3.496 3.654 ( -1.209 0.921 0.953) 1.794 3.669 ( -1.375 -0.479 0.624) 1.584 3.754 ( -1.489 0.933 -0.013) 1.758 3.759 ( -0.867 0.279 -0.080) 0.915 3.820 ( 0.473 1.516 0.064) 1.589 3.838 ( 2.890 0.429 0.745) 3.015 3.845 ( 1.437 -0.581 0.303) 1.579 3.848 ( 0.359 -1.052 0.265) 1.143 3.854 ( -0.476 0.334 -0.158) 0.603 3.867 ( -3.040 -0.944 -0.510) 3.223 3.937 ( -2.257 0.236 0.342) 2.295 3.942 ( -2.296 -0.258 0.387) 2.343 3.968 ( -1.693 0.409 0.119) 1.745 3.977 ( -2.603 -0.510 0.001) 2.653 4.032 ( 1.800 0.077 -2.444) 3.037 4.033 ( 1.810 -0.079 -2.441) 3.040 4.118 ( 0.376 0.121 0.341) 0.522 4.122 ( 0.412 -0.277 0.229) 0.547 4.321 ( -2.312 0.022 -0.931) 2.492 4.321 ( -2.379 -0.034 -0.919) 2.551 4.390 ( -0.840 0.064 0.700) 1.095 4.391 ( -1.047 -0.027 0.808) 1.323 4.420 ( 3.552 0.198 0.299) 3.570 4.424 ( 3.754 -0.209 0.339) 3.775 4.456 ( 3.405 0.001 -0.397) 3.428 4.457 ( 3.004 -0.091 -0.230) 3.015 4.473 ( 2.334 0.201 1.642) 2.861 4.476 ( 2.349 -0.111 1.713) 2.909 4.504 ( -0.557 0.050 -1.491) 1.592 4.504 ( -0.467 -0.046 -1.570) 1.638 4.558 ( 0.304 0.153 0.102) 0.355 4.561 ( 0.268 -0.150 0.104) 0.324 4.588 ( -0.003 0.121 -0.299) 0.322 4.591 ( 0.106 -0.113 -0.303) 0.341 4.629 ( 1.468 0.046 1.934) 2.428 4.630 ( 1.333 -0.035 1.964) 2.374 4.669 ( -0.226 0.105 -1.356) 1.378 4.671 ( -0.148 -0.091 -1.311) 1.323 4.935 ( 0.211 0.041 -0.327) 0.391 4.936 ( 0.209 -0.042 -0.361) 0.420 4.991 ( -1.210 0.142 -0.336) 1.264 4.994 ( -1.157 -0.138 -0.279) 1.198 5.022 ( -3.792 -0.005 -0.123) 3.794 5.023 ( -3.710 -0.121 -0.011) 3.712 5.034 ( -2.283 0.130 1.042) 2.513 5.035 ( -2.201 0.035 1.047) 2.438 5.161 ( 0.159 0.040 -0.514) 0.540 5.162 ( 0.115 -0.071 -0.464) 0.483 5.185 ( -0.559 0.016 1.379) 1.488 5.185 ( -0.571 -0.003 1.359) 1.474 5.292 ( 1.905 0.023 0.424) 1.952 5.293 ( 1.813 -0.075 0.322) 1.843 5.297 ( 1.031 0.043 -1.896) 2.158 5.298 ( 1.031 0.014 -1.948) 2.204 5.313 ( 0.892 0.176 0.200) 0.931 5.316 ( 0.963 -0.177 0.199) 0.999 5.376 ( -0.596 0.030 0.303) 0.669 5.377 ( -0.690 -0.029 0.298) 0.752 5.524 ( -4.067 0.069 0.053) 4.068 5.525 ( -3.916 -0.091 0.191) 3.921 5.549 ( -2.972 0.039 0.463) 3.008 5.550 ( -2.948 -0.035 0.387) 2.974 5.626 ( 0.811 0.357 0.146) 0.898 5.630 ( 0.573 0.236 -0.194) 0.649 5.633 ( 0.686 -0.338 -0.065) 0.767 5.636 ( 0.706 -0.274 -0.171) 0.776 5.767 ( 0.350 0.031 0.199) 0.404 5.768 ( 0.293 -0.107 0.530) 0.615 5.770 ( 0.414 0.107 0.016) 0.428 5.771 ( 0.855 -0.048 -0.377) 0.935 5.788 ( -0.156 0.088 0.106) 0.208 5.790 ( -0.021 -0.128 0.158) 0.204 5.806 ( 0.061 0.100 -0.177) 0.213 5.807 ( 0.048 -0.069 -0.213) 0.229 6.015 ( -2.713 0.039 0.557) 2.770 6.016 ( -2.722 -0.047 0.559) 2.780 6.041 ( -1.097 0.025 -0.600) 1.251 6.042 ( -1.067 -0.023 -0.607) 1.228 6.177 ( -5.549 0.033 -0.404) 5.564 6.177 ( -5.672 -0.041 -0.399) 5.686 6.208 ( -4.875 0.030 0.371) 4.889 6.208 ( -4.934 -0.027 0.371) 4.948 6.485 ( 1.349 0.061 0.139) 1.358 6.486 ( 1.314 -0.068 0.118) 1.321 6.496 ( 1.536 0.116 -0.189) 1.552 6.498 ( 1.546 -0.114 -0.173) 1.560 6.543 ( -0.327 0.043 -0.221) 0.397 6.544 ( -0.400 -0.045 -0.245) 0.471 6.578 ( -1.783 0.110 0.278) 1.808 6.580 ( -1.797 -0.108 0.203) 1.812 6.644 ( 0.591 0.056 0.016) 0.594 6.645 ( 0.535 -0.069 -0.020) 0.540 6.677 ( 0.115 0.102 0.153) 0.217 6.679 ( 0.050 -0.091 0.180) 0.208 6.800 ( 0.561 0.014 -1.229) 1.352 6.801 ( 0.539 -0.018 -1.229) 1.343 6.812 ( 0.098 0.019 0.904) 0.909 6.813 ( 0.197 -0.033 0.886) 0.908 6.858 ( -1.428 0.027 0.264) 1.452 6.859 ( -1.398 -0.101 0.354) 1.446 6.868 ( -1.026 0.328 0.153) 1.088 6.873 ( -0.950 -0.244 0.144) 0.992 6.945 ( 0.708 0.076 0.104) 0.720 6.947 ( 0.729 -0.076 0.120) 0.743 6.964 ( 0.616 0.090 -0.087) 0.628 6.965 ( 0.617 -0.086 -0.059) 0.626 7.148 ( -0.512 0.176 0.251) 0.597 7.151 ( -0.467 -0.188 0.229) 0.553 7.159 ( -1.233 0.188 -0.218) 1.266 7.163 ( -1.215 -0.157 -0.201) 1.241 7.286 ( 4.608 0.148 -0.116) 4.612 7.288 ( 4.553 -0.159 -0.110) 4.557 7.292 ( 4.831 0.145 0.159) 4.836 7.294 ( 4.765 -0.133 0.162) 4.770 7.338 ( 2.896 0.004 0.065) 2.896 7.338 ( 2.851 -0.008 0.086) 2.852 7.349 ( 3.275 0.038 -0.146) 3.278 7.350 ( 3.306 -0.035 -0.146) 3.310 7.706 ( -3.119 0.036 -0.306) 3.134 7.707 ( -3.101 -0.055 -0.351) 3.121 7.709 ( -3.021 0.107 0.303) 3.038 7.711 ( -2.959 -0.112 0.343) 2.981 7.804 ( 3.973 0.024 0.079) 3.974 7.805 ( 4.007 -0.023 0.068) 4.007 7.845 ( 3.715 0.118 -0.087) 3.718 7.847 ( 3.720 -0.117 -0.063) 3.722 8.399 ( 0.293 0.011 -0.385) 0.484 8.399 ( 0.271 -0.014 -0.364) 0.454 8.434 ( 0.684 0.043 0.252) 0.730 8.435 ( 0.680 -0.044 0.241) 0.723 8.501 ( -0.751 0.032 0.121) 0.761 8.502 ( -0.745 -0.041 0.153) 0.762 8.563 ( -1.023 0.044 -0.088) 1.027 8.564 ( -1.019 -0.044 -0.107) 1.025 8.664 ( -0.012 0.064 -0.015) 0.066 8.664 ( 0.024 -0.030 -0.068) 0.078 8.688 ( 1.118 0.002 0.190) 1.134 8.688 ( 1.125 -0.036 0.249) 1.152 8.693 ( -0.150 0.213 0.412) 0.488 8.698 ( -0.177 -0.254 0.556) 0.636 8.705 ( 0.497 0.064 -0.462) 0.682 8.706 ( 0.565 -0.069 -0.447) 0.724 8.714 ( 1.664 0.163 -0.135) 1.677 8.717 ( 1.588 -0.154 -0.226) 1.611 8.736 ( -0.478 0.276 0.083) 0.558 8.741 ( -0.519 -0.321 0.030) 0.611 8.802 ( -2.041 0.428 0.060) 2.086 8.810 ( -2.076 -0.388 0.058) 2.113 8.813 ( -2.170 0.377 -0.046) 2.203 8.819 ( -2.171 -0.330 -0.052) 2.197======================= Grid point 12 (9/26) =======================q-point: ( 0.38 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 2.940 0.756 -0.683) 3.111 0.628 ( 0.394 -1.856 -0.835) 2.073 0.685 ( 2.419 2.667 -0.412) 3.624 0.697 ( 0.962 0.514 0.720) 1.307 0.709 ( -0.171 -0.534 0.148) 0.580 0.712 ( -0.654 -0.775 -0.212) 1.036 0.720 ( 1.754 1.370 0.495) 2.280 0.731 ( 0.184 -0.136 0.931) 0.959 0.750 ( 2.297 1.178 0.285) 2.598 0.791 ( 4.992 -2.351 -1.132) 5.633 0.812 ( 8.069 1.379 2.391) 8.528 0.838 ( 9.639 -1.241 2.315) 9.990 0.924 ( 7.300 0.617 -0.234) 7.329 0.945 ( 4.954 -1.971 0.985) 5.422 1.024 ( 0.705 2.973 1.167) 3.270 1.057 ( 2.785 1.264 -0.300) 3.073 1.078 ( -0.911 -0.595 -0.841) 1.375 1.102 ( 5.049 0.565 -2.179) 5.528 1.114 ( 1.690 -1.569 -1.068) 2.542 1.132 ( 1.183 -1.846 -0.682) 2.296 1.173 ( 3.583 2.468 -0.573) 4.388 1.213 ( 4.198 -2.050 -0.717) 4.726 1.303 ( -4.411 1.443 0.634) 4.684 1.329 ( 0.134 -0.438 0.451) 0.643 1.337 ( 1.433 0.214 2.232) 2.661 1.349 ( 4.615 -0.329 0.632) 4.670 1.381 ( -1.078 -0.287 -0.074) 1.118 1.396 ( 0.275 -1.396 0.719) 1.595 1.417 ( -1.641 0.546 1.307) 2.168 1.422 ( -1.056 0.345 1.391) 1.781 1.491 ( 3.388 0.610 -1.827) 3.897 1.500 ( 3.212 -0.521 -2.037) 3.839 1.533 ( 1.054 1.418 -1.556) 2.354 1.560 ( 2.452 -1.375 0.698) 2.897 1.570 ( 2.824 -0.278 0.593) 2.899 1.579 ( 2.905 -1.094 0.070) 3.105 1.600 ( -1.481 0.419 -0.515) 1.623 1.609 ( -1.690 -0.545 0.135) 1.781 1.821 ( -2.432 0.006 -1.446) 2.829 1.831 ( -0.900 -1.139 -0.908) 1.713 1.884 ( 0.624 1.497 -0.578) 1.722 1.897 ( 1.153 0.279 -0.642) 1.349 1.944 ( 0.845 1.729 0.681) 2.041 1.975 ( 0.781 -1.549 0.985) 1.995 2.043 ( 10.458 0.234 -0.050) 10.461 2.051 ( 10.537 -0.629 -0.055) 10.556 2.072 ( 3.500 1.104 0.225) 3.677 2.081 ( 6.615 0.545 0.489) 6.656 2.104 ( 5.015 0.073 -0.221) 5.020 2.118 ( 0.892 -1.080 -0.370) 1.449 2.136 ( -1.355 0.798 -0.219) 1.588 2.150 ( -1.754 -0.693 -0.106) 1.889 2.304 ( -2.916 0.502 -0.256) 2.970 2.314 ( -2.833 -0.518 -0.259) 2.891 2.430 ( -4.724 0.152 0.991) 4.829 2.432 ( -4.726 -0.143 0.950) 4.822 3.035 ( 0.137 0.133 -0.358) 0.405 3.038 ( 0.250 -0.100 -0.426) 0.504 3.047 ( 0.368 0.642 -0.580) 0.940 3.059 ( 0.301 -0.653 -0.583) 0.926 3.251 ( -0.596 0.382 1.069) 1.282 3.266 ( -0.426 -1.160 0.943) 1.554 3.354 ( -0.134 0.039 -0.358) 0.385 3.361 ( -0.212 -0.696 -0.532) 0.901 3.549 ( -3.721 0.849 0.455) 3.844 3.557 ( -3.670 -0.114 0.429) 3.697 3.653 ( 0.052 0.566 1.001) 1.151 3.660 ( -0.616 0.042 0.970) 1.150 3.700 ( -2.237 0.540 -1.136) 2.567 3.708 ( -2.790 -0.111 -0.943) 2.947 3.817 ( -0.405 0.971 0.192) 1.069 3.829 ( -0.693 0.342 -0.100) 0.780 3.830 ( -0.849 -0.369 0.176) 0.942 3.840 ( -0.110 -0.725 0.068) 0.736 3.902 ( 0.452 0.331 0.138) 0.577 3.910 ( 0.706 -0.508 0.135) 0.880 3.948 ( 3.817 0.347 0.798) 3.915 3.951 ( 0.630 0.228 0.259) 0.718 3.959 ( 2.938 -0.475 0.829) 3.090 3.961 ( 1.322 -0.494 0.566) 1.520 4.071 ( 3.353 0.033 -2.321) 4.078 4.072 ( 3.273 -0.052 -2.318) 4.011 4.126 ( 0.232 0.118 0.479) 0.545 4.130 ( 0.251 -0.285 0.428) 0.572 4.236 ( -4.825 0.014 -1.641) 5.096 4.236 ( -4.827 -0.034 -1.586) 5.081 4.330 ( -4.523 0.025 1.607) 4.800 4.330 ( -4.505 -0.017 1.689) 4.811 4.494 ( 3.649 0.274 0.697) 3.725 4.499 ( 3.553 -0.231 0.647) 3.619 4.514 ( 2.034 0.035 -1.084) 2.305 4.514 ( 1.962 -0.020 -1.032) 2.217 4.542 ( 3.435 0.253 -1.025) 3.594 4.547 ( 3.552 -0.285 -1.032) 3.710 4.561 ( 3.212 0.046 0.942) 3.348 4.562 ( 3.267 -0.022 0.945) 3.401 4.585 ( 3.462 0.079 0.977) 3.598 4.586 ( 3.844 -0.047 0.852) 3.937 4.611 ( 3.127 0.200 0.694) 3.210 4.615 ( 3.063 -0.194 0.665) 3.141 4.657 ( 1.323 0.119 -1.238) 1.816 4.660 ( 1.315 -0.152 -1.190) 1.780 4.663 ( 2.000 0.069 -0.110) 2.004 4.664 ( 1.669 -0.016 -0.036) 1.669 4.921 ( -4.471 0.094 0.216) 4.477 4.923 ( -4.594 -0.135 0.203) 4.601 4.949 ( -3.465 0.129 -0.197) 3.473 4.951 ( -3.380 -0.121 -0.191) 3.388 4.953 ( -1.440 0.148 0.079) 1.449 4.956 ( -1.337 -0.139 0.124) 1.349 5.002 ( -1.494 0.023 0.322) 1.528 5.002 ( -1.517 -0.014 0.326) 1.551 5.161 ( 0.133 0.023 -0.455) 0.475 5.161 ( 0.109 -0.029 -0.463) 0.477 5.182 ( -0.560 0.027 0.890) 1.052 5.183 ( -0.507 -0.007 0.911) 1.043 5.287 ( -0.384 0.043 -1.562) 1.609 5.288 ( -0.342 -0.042 -1.616) 1.653 5.315 ( -0.500 0.095 0.807) 0.954 5.316 ( -0.305 -0.084 0.778) 0.840 5.332 ( -0.322 0.049 0.095) 0.339 5.333 ( 0.252 -0.039 -0.051) 0.260 5.366 ( -0.472 0.086 0.054) 0.483 5.368 ( -0.377 -0.091 0.025) 0.388 5.434 ( -4.283 0.191 0.016) 4.288 5.438 ( -4.519 -0.218 0.200) 4.528 5.478 ( -4.034 0.059 0.267) 4.043 5.479 ( -4.030 -0.064 0.149) 4.034 5.632 ( -0.258 0.229 -0.264) 0.434 5.637 ( -0.310 -0.267 -0.314) 0.516 5.640 ( 0.160 0.275 0.155) 0.354 5.646 ( 0.085 -0.258 0.141) 0.306 5.691 ( -4.665 0.049 -0.976) 4.767 5.692 ( -4.964 -0.052 -0.984) 5.060 5.706 ( -4.192 0.076 1.216) 4.365 5.708 ( -4.222 -0.068 1.176) 4.383 5.789 ( -0.173 0.068 0.132) 0.228 5.790 ( -0.202 -0.083 0.138) 0.259 5.801 ( -0.348 0.033 -0.133) 0.374 5.801 ( -0.377 -0.021 -0.161) 0.411 6.079 ( 6.193 0.042 1.267) 6.321 6.080 ( 6.164 -0.043 1.273) 6.294 6.103 ( 5.008 0.062 -1.351) 5.188 6.104 ( 5.032 -0.061 -1.356) 5.212 6.115 ( -0.073 0.040 -0.786) 0.790 6.116 ( -0.026 -0.040 -0.783) 0.785 6.161 ( 0.997 0.017 0.921) 1.357 6.161 ( 1.038 -0.014 0.903) 1.376 6.456 ( -7.482 0.022 -0.671) 7.512 6.456 ( -7.475 -0.021 -0.675) 7.506 6.481 ( -7.790 0.039 0.460) 7.804 6.482 ( -7.729 -0.031 0.446) 7.742 6.497 ( -0.115 0.020 0.011) 0.117 6.497 ( -0.157 -0.031 0.017) 0.161 6.515 ( 0.269 0.090 -0.040) 0.286 6.517 ( 0.290 -0.093 -0.051) 0.309 6.667 ( 1.536 0.017 0.005) 1.536 6.668 ( 1.513 -0.024 -0.022) 1.513 6.695 ( 1.242 0.059 0.026) 1.244 6.696 ( 1.207 -0.055 0.055) 1.210 6.818 ( 0.252 0.079 0.161) 0.309 6.819 ( 1.431 0.057 -0.579) 1.545 6.820 ( 1.066 -0.069 -0.328) 1.118 6.820 ( 0.699 -0.061 -0.131) 0.714 6.847 ( 0.365 0.060 0.504) 0.625 6.848 ( 0.332 -0.071 0.503) 0.607 6.856 ( -0.347 0.297 0.013) 0.457 6.861 ( -0.390 -0.282 0.029) 0.482 6.957 ( 0.410 0.101 0.068) 0.428 6.959 ( 0.427 -0.100 0.079) 0.446 6.973 ( 0.371 0.096 -0.078) 0.391 6.975 ( 0.369 -0.092 -0.058) 0.385 7.140 ( -0.574 0.229 -0.247) 0.665 7.144 ( -0.514 -0.232 -0.217) 0.604 7.148 ( 0.119 0.198 0.302) 0.381 7.151 ( 0.130 -0.200 0.279) 0.367 7.363 ( 3.128 0.106 -0.058) 3.131 7.365 ( 3.095 -0.108 -0.054) 3.097 7.373 ( 3.176 0.075 0.063) 3.178 7.375 ( 3.132 -0.074 0.059) 3.133 7.423 ( 5.388 0.033 0.349) 5.399 7.424 ( 5.410 -0.035 0.337) 5.421 7.436 ( 5.438 0.089 -0.371) 5.452 7.438 ( 5.497 -0.089 -0.373) 5.511 7.628 ( -4.530 0.064 -0.409) 4.549 7.629 ( -4.520 -0.066 -0.438) 4.542 7.636 ( -4.512 0.154 0.403) 4.533 7.639 ( -4.499 -0.156 0.428) 4.522 7.863 ( 1.938 0.032 0.069) 1.940 7.863 ( 1.940 -0.033 0.058) 1.941 7.899 ( 1.795 0.114 -0.065) 1.800 7.901 ( 1.777 -0.111 -0.055) 1.781 8.405 ( 0.459 0.026 -0.310) 0.554 8.405 ( 0.484 -0.029 -0.307) 0.574 8.453 ( 1.072 0.031 0.222) 1.095 8.453 ( 1.064 -0.034 0.203) 1.084 8.485 ( -0.869 0.038 0.177) 0.887 8.486 ( -0.885 -0.036 0.188) 0.905 8.536 ( -1.564 0.040 -0.054) 1.566 8.537 ( -1.562 -0.038 -0.069) 1.564 8.666 ( 0.263 0.110 -0.099) 0.302 8.667 ( 0.355 -0.071 -0.155) 0.393 8.693 ( 0.304 0.046 0.141) 0.338 8.695 ( 0.248 -0.136 0.188) 0.339 8.699 ( 0.307 0.025 0.267) 0.407 8.700 ( 0.386 -0.058 0.235) 0.456 8.719 ( 0.545 0.269 -0.547) 0.818 8.724 ( 0.743 -0.259 -0.624) 1.004 8.735 ( 0.503 0.112 0.006) 0.515 8.738 ( 0.274 -0.153 0.046) 0.317 8.744 ( 0.908 0.132 0.224) 0.945 8.747 ( 0.759 -0.111 0.263) 0.811 8.761 ( -2.026 0.361 0.192) 2.067 8.768 ( -2.125 -0.314 0.130) 2.152 8.771 ( -1.629 0.329 -0.148) 1.668 8.777 ( -1.810 -0.280 -0.152) 1.838======================= Grid point 13 (10/26) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( 0.000 -0.185 0.000) 0.185 0.606 ( 0.000 -0.384 0.000) 0.384 0.693 ( 0.000 0.222 0.000) 0.222 0.695 ( 0.000 0.085 0.000) 0.085 0.705 ( 0.000 0.298 -0.000) 0.298 0.706 ( -0.000 0.259 0.000) 0.259 0.732 ( 0.000 -0.053 0.000) 0.053 0.735 ( 0.000 -0.254 -0.000) 0.254 0.887 ( -0.000 1.073 0.000) 1.073 0.893 ( 0.000 0.351 0.000) 0.351 0.923 ( -0.000 3.527 -0.000) 3.527 0.937 ( 0.000 1.303 0.000) 1.303 0.960 ( 0.000 -0.569 0.000) 0.569 0.993 ( -0.000 -3.793 0.000) 3.793 1.019 ( 0.000 -1.023 0.000) 1.023 1.028 ( 0.000 -1.058 0.000) 1.058 1.087 ( 0.000 2.046 0.000) 2.046 1.139 ( 0.000 -3.338 0.000) 3.338 1.175 ( -0.000 3.357 0.000) 3.357 1.196 ( 0.000 1.441 -0.000) 1.441 1.219 ( 0.000 -0.870 -0.000) 0.870 1.220 ( -0.000 -0.200 0.000) 0.200 1.243 ( 0.000 0.151 0.000) 0.151 1.274 ( 0.000 -2.107 0.000) 2.107 1.323 ( 0.000 0.024 0.000) 0.024 1.325 ( -0.000 -0.383 0.000) 0.383 1.406 ( 0.000 2.419 0.000) 2.419 1.410 ( 0.000 1.384 0.000) 1.384 1.444 ( 0.000 -1.412 0.000) 1.412 1.455 ( 0.000 -2.023 0.000) 2.023 1.521 ( 0.000 0.792 -0.000) 0.792 1.529 ( 0.000 0.633 -0.000) 0.633 1.530 ( 0.000 -0.005 -0.000) 0.005 1.540 ( -0.000 -0.344 -0.000) 0.344 1.587 ( 0.000 0.041 0.000) 0.041 1.596 ( 0.000 -0.687 0.000) 0.687 1.614 ( 0.000 -0.624 0.000) 0.624 1.623 ( 0.000 -0.917 0.000) 0.917 1.768 ( 0.000 0.997 0.000) 0.997 1.792 ( 0.000 -1.756 0.000) 1.756 1.899 ( 0.000 2.301 0.000) 2.301 1.923 ( 0.000 -0.427 0.000) 0.427 1.941 ( 0.000 1.391 0.000) 1.391 1.964 ( 0.000 -1.249 -0.000) 1.249 2.069 ( 0.000 1.420 0.000) 1.420 2.091 ( 0.000 0.784 0.000) 0.784 2.097 ( 0.000 -1.122 0.000) 1.122 2.110 ( 0.000 -0.940 0.000) 0.940 2.205 ( 0.000 0.496 0.000) 0.496 2.215 ( 0.000 -0.574 0.000) 0.574 2.230 ( 0.000 0.124 0.000) 0.124 2.231 ( 0.000 -0.013 0.000) 0.013 2.256 ( -0.000 0.174 0.000) 0.174 2.260 ( -0.000 -0.246 0.000) 0.246 2.342 ( 0.000 0.041 0.000) 0.041 2.343 ( 0.000 -0.042 0.000) 0.042 3.036 ( 0.000 0.193 0.000) 0.193 3.040 ( 0.000 -0.168 0.000) 0.168 3.048 ( 0.000 0.614 -0.000) 0.614 3.060 ( 0.000 -0.609 0.000) 0.609 3.248 ( 0.000 0.427 0.000) 0.427 3.264 ( 0.000 -1.275 0.000) 1.275 3.353 ( 0.000 -0.084 -0.000) 0.084 3.359 ( 0.000 -0.634 0.000) 0.634 3.512 ( 0.000 0.918 0.000) 0.918 3.520 ( 0.000 -0.062 0.000) 0.062 3.646 ( 0.000 1.245 0.000) 1.245 3.658 ( 0.000 -0.086 -0.000) 0.086 3.674 ( 0.000 0.552 0.000) 0.552 3.687 ( 0.000 -0.830 0.000) 0.830 3.813 ( 0.000 0.713 0.000) 0.713 3.822 ( 0.000 -0.215 0.000) 0.215 3.823 ( 0.000 0.745 -0.000) 0.745 3.839 ( 0.000 -0.933 0.000) 0.933 3.903 ( 0.000 0.528 0.000) 0.528 3.913 ( 0.000 -0.504 0.000) 0.504 3.947 ( 0.000 0.563 0.000) 0.563 3.961 ( 0.000 -0.892 -0.000) 0.892 4.023 ( 0.000 0.413 0.000) 0.413 4.034 ( 0.000 -0.708 0.000) 0.708 4.106 ( 0.000 0.022 0.000) 0.022 4.106 ( 0.000 -0.055 0.000) 0.055 4.139 ( -0.000 0.233 -0.000) 0.233 4.144 ( 0.000 -0.287 0.000) 0.287 4.155 ( 0.000 0.095 0.000) 0.095 4.157 ( 0.000 -0.139 0.000) 0.139 4.281 ( 0.000 0.061 0.000) 0.061 4.282 ( 0.000 -0.054 0.000) 0.054 4.537 ( -0.107 0.071 -0.041) 0.135 4.537 ( 0.107 0.098 0.041) 0.151 4.538 ( 0.000 -0.019 0.000) 0.019 4.539 ( 0.000 -0.067 0.000) 0.067 4.555 ( 0.000 0.134 -0.000) 0.134 4.558 ( 0.000 -0.146 0.000) 0.146 4.589 ( -0.000 0.490 -0.000) 0.490 4.598 ( -0.000 -0.458 -0.000) 0.458 4.614 ( 0.000 0.063 0.000) 0.063 4.615 ( 0.000 -0.076 0.000) 0.076 4.634 ( 0.000 0.537 0.000) 0.537 4.643 ( 0.000 -0.475 0.000) 0.475 4.770 ( -0.000 0.234 0.000) 0.234 4.774 ( -0.000 -0.230 0.000) 0.230 4.784 ( 0.000 0.059 -0.000) 0.059 4.787 ( 0.000 -0.182 -0.000) 0.182 4.804 ( -0.000 0.067 -0.000) 0.067 4.805 ( 0.000 -0.039 0.000) 0.039 4.811 ( -0.000 0.231 -0.000) 0.231 4.814 ( 0.000 -0.144 0.000) 0.144 4.954 ( 0.000 0.076 0.000) 0.076 4.956 ( 0.000 -0.102 0.000) 0.102 4.987 ( 0.000 0.113 0.000) 0.113 4.989 ( 0.000 -0.125 0.000) 0.125 5.161 ( 0.000 0.010 -0.000) 0.010 5.161 ( 0.000 -0.003 0.000) 0.003 5.175 ( 0.000 0.107 0.000) 0.107 5.176 ( 0.000 -0.069 -0.000) 0.069 5.277 ( 0.000 0.048 0.000) 0.048 5.277 ( 0.000 -0.045 -0.000) 0.045 5.299 ( 0.000 0.238 0.000) 0.238 5.303 ( 0.000 -0.230 0.000) 0.230 5.314 ( 0.000 0.463 -0.000) 0.463 5.323 ( 0.000 -0.488 0.000) 0.488 5.361 ( 0.000 0.114 0.000) 0.114 5.363 ( 0.000 -0.124 0.000) 0.124 5.399 ( 0.000 0.110 0.000) 0.110 5.401 ( 0.000 -0.121 0.000) 0.121 5.439 ( 0.000 0.020 0.000) 0.020 5.439 ( 0.000 -0.017 0.000) 0.017 5.613 ( 0.000 0.088 0.000) 0.088 5.615 ( 0.000 -0.076 0.000) 0.076 5.640 ( 0.000 0.115 0.000) 0.115 5.642 ( 0.000 -0.173 0.000) 0.173 5.654 ( 0.000 0.232 0.000) 0.232 5.658 ( 0.000 -0.208 0.000) 0.208 5.672 ( 0.000 0.104 0.000) 0.104 5.674 ( 0.000 -0.088 0.000) 0.088 5.787 ( 0.000 0.059 0.000) 0.059 5.788 ( 0.000 -0.064 0.000) 0.064 5.797 ( 0.000 0.008 -0.000) 0.008 5.797 ( 0.000 -0.009 0.000) 0.009 6.092 ( 0.000 0.047 -0.000) 0.047 6.093 ( 0.000 -0.047 0.000) 0.047 6.120 ( 0.000 0.051 -0.000) 0.051 6.120 ( 0.000 -0.049 0.000) 0.049 6.232 ( 0.000 0.006 0.000) 0.006 6.233 ( 0.000 -0.008 0.000) 0.008 6.268 ( 0.000 0.006 0.000) 0.006 6.268 ( 0.000 -0.009 -0.000) 0.009 6.313 ( 0.000 0.085 0.000) 0.085 6.315 ( 0.000 -0.081 0.000) 0.081 6.342 ( -0.008 -0.000 -0.007) 0.011 6.342 ( 0.008 0.002 0.007) 0.011 6.495 ( 0.000 0.009 -0.000) 0.009 6.495 ( 0.000 -0.012 0.000) 0.012 6.517 ( 0.000 0.091 0.000) 0.091 6.519 ( 0.000 -0.093 -0.000) 0.093 6.685 ( -0.004 -0.003 -0.003) 0.006 6.685 ( 0.004 -0.002 0.003) 0.005 6.710 ( 0.000 0.037 0.000) 0.037 6.711 ( 0.000 -0.036 0.000) 0.036 6.818 ( 0.000 0.078 0.000) 0.078 6.819 ( 0.000 -0.076 0.000) 0.076 6.834 ( 0.000 0.143 0.000) 0.143 6.836 ( 0.000 -0.099 0.000) 0.099 6.854 ( 0.000 0.208 0.000) 0.208 6.857 ( -0.000 0.038 0.000) 0.038 6.858 ( 0.000 -0.141 0.000) 0.141 6.858 ( 0.000 -0.140 0.000) 0.140 6.961 ( 0.000 0.112 0.000) 0.112 6.963 ( 0.000 -0.111 -0.000) 0.111 6.977 ( 0.000 0.098 0.000) 0.098 6.978 ( 0.000 -0.094 0.000) 0.094 7.134 ( 0.000 0.266 0.000) 0.266 7.139 ( 0.000 -0.271 0.000) 0.271 7.150 ( 0.000 0.199 0.000) 0.199 7.154 ( 0.000 -0.201 0.000) 0.201 7.394 ( 0.000 0.090 0.000) 0.090 7.396 ( 0.000 -0.091 0.000) 0.091 7.405 ( 0.000 0.053 0.000) 0.053 7.406 ( 0.000 -0.053 0.000) 0.053 7.527 ( 0.000 0.092 0.000) 0.092 7.528 ( 0.000 0.026 0.000) 0.026 7.530 ( 0.000 -0.029 0.000) 0.029 7.530 ( 0.000 -0.087 -0.000) 0.087 7.533 ( -0.000 0.028 -0.000) 0.028 7.534 ( -0.000 -0.031 -0.000) 0.031 7.556 ( 0.000 0.160 0.000) 0.160 7.559 ( -0.000 -0.158 0.000) 0.158 7.881 ( 0.000 0.030 0.000) 0.030 7.881 ( 0.000 -0.031 0.000) 0.031 7.915 ( 0.000 0.104 -0.000) 0.104 7.917 ( 0.000 -0.100 0.000) 0.100 8.410 ( 0.000 0.041 0.000) 0.041 8.410 ( 0.000 -0.044 0.000) 0.044 8.469 ( -0.000 0.016 0.000) 0.016 8.469 ( -0.000 -0.032 -0.000) 0.032 8.476 ( 0.000 0.032 -0.000) 0.032 8.477 ( -0.000 -0.014 0.000) 0.014 8.515 ( 0.000 0.045 0.000) 0.045 8.516 ( 0.000 -0.042 0.000) 0.042 8.669 ( 0.000 0.164 0.000) 0.164 8.672 ( 0.000 -0.150 0.000) 0.150 8.701 ( 0.000 -0.009 0.000) 0.009 8.702 ( 0.000 -0.168 0.000) 0.168 8.709 ( 0.000 0.075 0.000) 0.075 8.711 ( 0.000 -0.019 0.000) 0.019 8.719 ( 0.000 0.263 0.000) 0.263 8.725 ( 0.000 -0.335 0.000) 0.335 8.732 ( 0.000 0.209 0.000) 0.209 8.734 ( -0.000 -0.019 -0.000) 0.019 8.739 ( 0.000 0.176 -0.000) 0.176 8.741 ( 0.000 -0.042 0.000) 0.042 8.748 ( -0.000 0.013 0.000) 0.013 8.749 ( 0.000 -0.134 -0.000) 0.134 8.767 ( 0.000 0.007 0.000) 0.007 8.767 ( 0.000 -0.032 0.000) 0.032======================= Grid point 27 (11/26) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.182 ( 0.123 0.000 9.319) 9.319 0.238 ( 6.073 0.000 9.849) 11.571 0.251 ( 3.989 0.000 10.056) 10.818 0.381 ( 0.161 0.000 -7.799) 7.800 0.420 ( -4.060 0.000 -7.633) 8.646 0.474 ( -4.067 0.000 -9.592) 10.418 0.548 ( -2.282 0.000 12.144) 12.357 0.561 ( -4.241 0.000 23.270) 23.653 0.627 ( -0.675 0.000 -3.213) 3.284 0.709 ( 1.635 0.000 5.537) 5.774 0.724 ( 1.584 0.000 1.328) 2.067 0.732 ( -0.016 0.000 0.378) 0.378 0.749 ( 0.020 0.000 2.777) 2.777 0.806 ( -0.112 0.000 4.306) 4.308 0.818 ( 0.436 0.000 -3.183) 3.213 0.861 ( 0.072 0.000 0.361) 0.369 0.909 ( -0.256 0.000 0.799) 0.839 0.926 ( -3.066 0.000 -2.891) 4.214 0.927 ( -0.763 0.000 1.770) 1.928 0.950 ( 2.581 0.000 -2.021) 3.278 0.962 ( 1.822 0.000 -2.000) 2.705 0.999 ( 0.937 0.000 -2.245) 2.433 1.001 ( 0.807 0.000 -3.663) 3.751 1.029 ( 3.305 0.000 -11.528) 11.993 1.039 ( -0.879 0.000 1.581) 1.809 1.119 ( 0.451 0.000 -8.085) 8.097 1.159 ( -0.902 0.000 1.372) 1.642 1.179 ( -0.912 0.000 -1.209) 1.515 1.342 ( -0.416 0.000 3.544) 3.568 1.346 ( 0.568 0.000 3.585) 3.629 1.367 ( -1.037 0.000 2.153) 2.390 1.406 ( -1.037 0.000 1.241) 1.617 1.443 ( 1.448 0.000 -0.684) 1.601 1.492 ( 0.535 0.000 -1.563) 1.652 1.509 ( 1.204 0.000 -4.353) 4.517 1.532 ( 0.420 0.000 -4.757) 4.775 1.593 ( -1.290 0.000 4.263) 4.454 1.640 ( -1.134 0.000 4.709) 4.843 1.694 ( 0.195 0.000 -3.067) 3.073 1.712 ( -0.706 0.000 0.839) 1.097 1.738 ( -0.273 0.000 3.646) 3.657 1.764 ( 2.452 0.000 -1.859) 3.077 1.802 ( 0.469 0.000 -2.435) 2.480 1.806 ( 0.311 0.000 -2.652) 2.670 1.906 ( -0.280 0.000 0.787) 0.835 1.908 ( -0.669 0.000 0.700) 0.969 1.984 ( -0.061 0.000 1.037) 1.039 1.985 ( -0.672 0.000 0.820) 1.060 2.295 ( -0.827 0.000 1.579) 1.782 2.324 ( -1.064 0.000 1.259) 1.648 2.327 ( 0.558 0.000 -1.109) 1.241 2.353 ( 0.866 0.000 -1.183) 1.466 2.359 ( -0.303 0.000 1.321) 1.355 2.365 ( -0.628 0.000 0.750) 0.979 2.383 ( 0.791 0.000 -0.894) 1.193 2.389 ( 0.529 0.000 -0.993) 1.125 2.974 ( 0.511 0.000 -2.150) 2.210 2.980 ( 0.201 0.000 -1.723) 1.735 2.986 ( 0.491 0.000 -2.496) 2.544 3.006 ( 0.781 0.000 -3.276) 3.368 3.339 ( -0.467 0.000 3.821) 3.850 3.346 ( -0.431 0.000 3.669) 3.694 3.403 ( 0.043 0.000 -2.203) 2.203 3.410 ( 0.033 0.000 -2.428) 2.429 3.691 ( -0.156 0.000 1.045) 1.057 3.698 ( -0.313 0.000 1.014) 1.061 3.702 ( 0.292 0.000 0.034) 0.294 3.705 ( 0.675 0.000 0.106) 0.683 3.786 ( -1.299 0.000 6.058) 6.195 3.803 ( -0.706 0.000 6.004) 6.045 3.819 ( -0.663 0.000 2.598) 2.681 3.827 ( -0.684 0.000 2.216) 2.319 3.842 ( -0.788 0.000 2.476) 2.598 3.864 ( -0.200 0.000 -0.565) 0.600 3.866 ( -0.865 0.000 2.300) 2.457 3.904 ( 0.319 0.000 -0.597) 0.677 3.989 ( -0.767 0.000 -3.112) 3.205 3.990 ( -0.734 0.000 -3.192) 3.276 4.029 ( 2.572 0.000 -5.911) 6.446 4.035 ( 2.300 0.000 -6.216) 6.628 4.105 ( 0.344 0.000 0.388) 0.519 4.110 ( 0.018 0.000 0.683) 0.683 4.121 ( -0.229 0.000 -0.969) 0.995 4.133 ( 0.133 0.000 -1.249) 1.256 4.263 ( -0.021 0.000 1.111) 1.111 4.269 ( -0.206 0.000 1.020) 1.041 4.288 ( 0.108 0.000 -1.018) 1.024 4.291 ( 0.252 0.000 -0.902) 0.936 4.350 ( 0.266 0.000 1.971) 1.989 4.357 ( 0.144 0.000 1.914) 1.920 4.402 ( -1.067 0.000 -2.715) 2.917 4.410 ( -0.937 0.000 -2.786) 2.939 4.495 ( -0.450 0.000 0.525) 0.692 4.500 ( 1.025 0.000 0.223) 1.049 4.504 ( 1.126 0.000 0.347) 1.178 4.504 ( -0.297 0.000 0.142) 0.329 4.591 ( 1.001 0.000 1.371) 1.697 4.597 ( 1.025 0.000 1.310) 1.664 4.617 ( -0.508 0.000 -0.781) 0.932 4.620 ( -0.488 0.000 -0.640) 0.805 4.632 ( -0.372 0.000 1.287) 1.340 4.633 ( -0.497 0.000 1.291) 1.383 4.660 ( 0.147 0.000 -1.112) 1.122 4.661 ( -0.062 0.000 -1.166) 1.168 4.960 ( -0.649 0.000 1.523) 1.655 4.968 ( -0.759 0.000 1.744) 1.901 4.997 ( 0.684 0.000 -1.702) 1.834 5.007 ( 0.771 0.000 -1.505) 1.691 5.092 ( 0.601 0.000 0.872) 1.059 5.110 ( -0.703 0.000 -0.915) 1.154 5.111 ( 1.036 0.000 -0.554) 1.175 5.112 ( -0.746 0.000 -0.563) 0.935 5.177 ( -0.344 0.000 1.247) 1.294 5.181 ( 0.065 0.000 1.647) 1.648 5.196 ( 0.950 0.000 -0.581) 1.114 5.207 ( 0.222 0.000 -0.390) 0.449 5.227 ( 0.331 0.000 -0.047) 0.335 5.232 ( 0.295 0.000 -0.023) 0.296 5.233 ( -0.760 0.000 -0.676) 1.016 5.236 ( -0.611 0.000 -0.376) 0.718 5.337 ( -1.036 0.000 1.779) 2.058 5.342 ( -1.050 0.000 1.683) 1.983 5.373 ( 0.755 0.000 -1.330) 1.530 5.378 ( 0.784 0.000 -1.375) 1.583 5.572 ( -0.262 0.000 1.042) 1.074 5.572 ( -0.306 0.000 0.941) 0.990 5.577 ( 0.275 0.000 0.568) 0.631 5.587 ( 0.230 0.000 0.106) 0.253 5.611 ( 0.073 0.000 0.229) 0.241 5.612 ( 0.214 0.000 -0.068) 0.225 5.624 ( -0.144 0.000 -0.784) 0.798 5.625 ( -0.081 0.000 -0.868) 0.871 5.679 ( 0.604 0.000 0.137) 0.620 5.683 ( -0.125 0.000 -0.001) 0.125 5.684 ( 0.265 0.000 0.004) 0.265 5.688 ( -0.508 0.000 -0.644) 0.820 5.795 ( -0.082 0.000 0.430) 0.437 5.799 ( -0.060 0.000 0.324) 0.330 5.805 ( 0.084 0.000 -0.455) 0.463 5.807 ( 0.063 0.000 -0.393) 0.398 6.124 ( -0.159 0.000 0.196) 0.252 6.127 ( -0.395 0.000 0.118) 0.413 6.130 ( 0.110 0.000 -0.260) 0.282 6.131 ( 0.273 0.000 -0.213) 0.346 6.389 ( 0.453 0.000 0.319) 0.554 6.391 ( 0.424 0.000 0.367) 0.561 6.397 ( -0.536 0.000 -0.401) 0.670 6.400 ( -0.424 0.000 -0.422) 0.599 6.462 ( -0.536 0.000 1.709) 1.791 6.476 ( 0.868 0.000 0.227) 0.897 6.478 ( 0.350 0.000 0.431) 0.555 6.489 ( -0.490 0.000 -0.525) 0.718 6.495 ( 0.325 0.000 -0.274) 0.425 6.506 ( 0.716 0.000 0.439) 0.840 6.507 ( -0.462 0.000 -1.183) 1.270 6.516 ( -0.145 0.000 -0.421) 0.445 6.682 ( -0.452 0.000 0.863) 0.974 6.688 ( -0.444 0.000 0.892) 0.996 6.702 ( 0.444 0.000 -0.882) 0.988 6.709 ( 0.446 0.000 -0.922) 1.024 6.743 ( 1.367 0.000 0.541) 1.470 6.753 ( -1.186 0.000 -0.267) 1.216 6.759 ( 2.396 0.000 0.138) 2.400 6.762 ( -1.271 0.000 -0.078) 1.273 6.860 ( -0.388 0.000 0.684) 0.786 6.867 ( -0.431 0.000 0.762) 0.876 6.875 ( 0.299 0.000 -0.608) 0.677 6.886 ( 0.406 0.000 -0.840) 0.933 6.937 ( -0.122 0.000 0.420) 0.438 6.938 ( -0.096 0.000 0.387) 0.399 6.946 ( 0.064 0.000 -0.357) 0.363 6.947 ( 0.120 0.000 -0.422) 0.438 7.134 ( -0.182 0.000 0.293) 0.345 7.141 ( 0.180 0.000 -0.289) 0.340 7.144 ( -0.220 0.000 0.346) 0.410 7.153 ( 0.204 0.000 -0.400) 0.449 7.196 ( -0.042 0.000 0.056) 0.070 7.197 ( 0.019 0.000 -0.026) 0.032 7.202 ( -0.065 0.000 0.004) 0.065 7.204 ( 0.017 0.000 -0.085) 0.087 7.393 ( 0.031 0.000 0.028) 0.042 7.394 ( 0.043 0.000 -0.046) 0.063 7.395 ( -0.108 0.000 -0.009) 0.109 7.397 ( 0.257 0.000 -0.105) 0.278 7.618 ( -0.336 0.000 0.634) 0.718 7.619 ( -0.538 0.000 0.677) 0.864 7.631 ( 0.283 0.000 -0.476) 0.554 7.633 ( 0.458 0.000 -0.485) 0.667 7.798 ( -0.169 0.000 0.386) 0.422 7.802 ( -0.166 0.000 0.328) 0.368 7.808 ( 0.173 0.000 -0.470) 0.501 7.811 ( 0.165 0.000 -0.408) 0.440 8.406 ( -0.312 0.000 0.514) 0.601 8.407 ( -0.349 0.000 0.487) 0.599 8.417 ( 0.289 0.000 -0.490) 0.569 8.419 ( 0.312 0.000 -0.486) 0.578 8.523 ( -0.690 0.000 1.208) 1.391 8.525 ( -0.319 0.000 1.293) 1.332 8.553 ( 0.321 0.000 -1.325) 1.363 8.554 ( 0.277 0.000 -1.260) 1.290 8.642 ( -0.066 0.000 0.083) 0.106 8.643 ( 0.100 0.000 0.002) 0.100 8.647 ( 0.277 0.000 -0.457) 0.535 8.649 ( 0.337 0.000 -0.527) 0.626 8.693 ( -0.124 0.000 0.883) 0.892 8.697 ( -0.162 0.000 0.847) 0.863 8.708 ( 0.070 0.000 -0.503) 0.508 8.711 ( 0.043 0.000 -0.408) 0.411 8.718 ( -0.297 0.000 1.005) 1.048 8.730 ( -0.275 0.000 1.017) 1.054 8.739 ( 0.233 0.000 -0.875) 0.906 8.752 ( 0.184 0.000 -0.856) 0.876 8.845 ( -0.081 0.000 0.340) 0.349 8.852 ( 0.075 0.000 -0.300) 0.309 8.861 ( -0.039 0.000 0.256) 0.259 8.867 ( 0.047 0.000 -0.235) 0.240======================= Grid point 28 (12/26) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.284 ( 5.444 0.000 7.696) 9.427 0.382 ( 5.245 0.000 -7.457) 9.117 0.499 ( 5.423 0.000 -0.054) 5.424 0.594 ( 6.831 0.000 3.756) 7.795 0.618 ( 12.208 0.000 -6.254) 13.717 0.633 ( 2.723 0.000 16.577) 16.799 0.660 ( 8.743 0.000 5.654) 10.412 0.706 ( 4.369 0.000 -2.697) 5.134 0.737 ( 16.326 0.000 7.541) 17.983 0.752 ( -0.229 0.000 1.384) 1.403 0.752 ( 4.951 0.000 3.840) 6.266 0.798 ( 10.000 0.000 -2.056) 10.209 0.805 ( 3.531 0.000 -1.363) 3.785 0.813 ( -0.164 0.000 2.362) 2.368 0.826 ( -0.486 0.000 -3.119) 3.157 0.861 ( 10.091 0.000 3.995) 10.853 0.881 ( 1.270 0.000 -0.361) 1.320 0.928 ( -2.718 0.000 -0.036) 2.718 0.986 ( 8.894 0.000 -2.270) 9.179 1.000 ( 6.157 0.000 -1.796) 6.413 1.008 ( 5.096 0.000 -2.122) 5.520 1.027 ( -0.191 0.000 2.044) 2.053 1.053 ( 8.617 0.000 -1.304) 8.715 1.060 ( 5.490 0.000 -10.216) 11.597 1.073 ( 8.238 0.000 -2.400) 8.580 1.106 ( 6.049 0.000 -5.531) 8.196 1.145 ( -1.023 0.000 1.441) 1.767 1.153 ( 0.578 0.000 0.929) 1.094 1.364 ( 0.989 0.000 3.023) 3.180 1.382 ( 1.212 0.000 0.986) 1.562 1.399 ( 2.720 0.000 2.442) 3.655 1.410 ( 0.733 0.000 -0.194) 0.758 1.473 ( 1.920 0.000 -0.342) 1.950 1.508 ( 1.934 0.000 -1.110) 2.230 1.515 ( -0.027 0.000 -4.101) 4.101 1.521 ( 1.628 0.000 -3.664) 4.009 1.589 ( -1.507 0.000 4.355) 4.609 1.643 ( -1.254 0.000 5.215) 5.364 1.684 ( 0.942 0.000 -1.989) 2.201 1.700 ( 0.157 0.000 -0.206) 0.259 1.773 ( 2.018 0.000 0.873) 2.199 1.793 ( 0.235 0.000 -2.979) 2.988 1.801 ( 0.400 0.000 -2.728) 2.757 1.808 ( 2.883 0.000 -1.312) 3.167 1.913 ( 0.706 0.000 0.970) 1.200 1.915 ( 0.491 0.000 1.292) 1.382 1.990 ( 0.710 0.000 0.732) 1.020 1.998 ( 0.774 0.000 1.347) 1.554 2.263 ( -4.057 0.000 1.951) 4.501 2.289 ( -4.049 0.000 -0.970) 4.164 2.305 ( -3.478 0.000 1.537) 3.803 2.319 ( -4.222 0.000 -0.831) 4.303 2.339 ( -0.745 0.000 1.165) 1.383 2.354 ( -0.325 0.000 0.629) 0.708 2.418 ( 3.605 0.000 -1.448) 3.885 2.420 ( 3.344 0.000 -1.231) 3.564 2.975 ( 0.593 0.000 -1.643) 1.747 2.979 ( 0.567 0.000 -1.539) 1.640 2.983 ( 0.699 0.000 -2.539) 2.633 3.004 ( 0.872 0.000 -3.172) 3.289 3.341 ( -1.466 0.000 3.597) 3.885 3.350 ( -1.167 0.000 3.386) 3.581 3.380 ( -1.188 0.000 -2.090) 2.404 3.385 ( -0.912 0.000 -2.006) 2.204 3.697 ( -0.642 0.000 1.094) 1.269 3.700 ( -0.277 0.000 0.981) 1.019 3.716 ( 0.701 0.000 -0.093) 0.707 3.721 ( 0.623 0.000 -0.120) 0.635 3.799 ( -1.439 0.000 7.299) 7.439 3.821 ( -1.863 0.000 8.141) 8.351 3.827 ( 0.277 0.000 2.011) 2.030 3.830 ( -0.119 0.000 2.293) 2.296 3.841 ( -0.119 0.000 1.272) 1.277 3.853 ( -0.298 0.000 -0.877) 0.926 3.868 ( -0.086 0.000 1.705) 1.707 3.908 ( -0.096 0.000 0.204) 0.225 3.954 ( -0.270 0.000 -4.740) 4.748 3.955 ( -0.280 0.000 -4.976) 4.984 4.021 ( -5.065 0.000 -1.152) 5.194 4.028 ( -4.118 0.000 -1.416) 4.355 4.029 ( -6.165 0.000 -1.018) 6.248 4.051 ( -5.508 0.000 -1.473) 5.702 4.052 ( 0.549 0.000 -2.655) 2.711 4.054 ( 0.999 0.000 -3.245) 3.395 4.324 ( 3.172 0.000 0.929) 3.305 4.329 ( 3.141 0.000 0.790) 3.239 4.338 ( 3.726 0.000 -0.849) 3.822 4.344 ( 3.841 0.000 -0.708) 3.905 4.381 ( 1.618 0.000 2.584) 3.049 4.384 ( 1.244 0.000 2.498) 2.791 4.389 ( 1.162 0.000 -2.067) 2.371 4.399 ( 1.242 0.000 -2.079) 2.422 4.483 ( -0.624 0.000 0.311) 0.697 4.484 ( -1.221 0.000 0.084) 1.224 4.510 ( -0.144 0.000 -0.708) 0.722 4.513 ( -0.276 0.000 -0.710) 0.762 4.590 ( -1.029 0.000 -0.984) 1.424 4.590 ( -2.162 0.000 0.594) 2.242 4.592 ( -1.258 0.000 -0.879) 1.535 4.593 ( -2.051 0.000 0.666) 2.157 4.638 ( 0.916 0.000 2.230) 2.411 4.643 ( 0.908 0.000 2.162) 2.345 4.650 ( -0.459 0.000 -1.566) 1.632 4.653 ( -0.351 0.000 -1.512) 1.552 4.950 ( -0.972 0.000 1.323) 1.642 4.955 ( -1.275 0.000 1.402) 1.895 4.990 ( -0.316 0.000 -1.485) 1.518 4.999 ( -0.498 0.000 -1.358) 1.447 5.075 ( -2.304 0.000 -0.702) 2.409 5.078 ( -2.335 0.000 -0.585) 2.407 5.088 ( -1.626 0.000 0.868) 1.844 5.094 ( -2.237 0.000 0.559) 2.306 5.166 ( -1.029 0.000 0.391) 1.101 5.174 ( -1.252 0.000 0.668) 1.418 5.201 ( 0.007 0.000 -0.590) 0.590 5.201 ( 0.119 0.000 -0.597) 0.609 5.241 ( 1.577 0.000 -0.664) 1.711 5.245 ( 1.495 0.000 -0.583) 1.605 5.257 ( 2.333 0.000 0.559) 2.399 5.260 ( 2.266 0.000 0.506) 2.321 5.328 ( -0.767 0.000 1.622) 1.794 5.329 ( -0.995 0.000 1.715) 1.983 5.376 ( 0.207 0.000 -1.041) 1.061 5.380 ( 0.109 0.000 -1.077) 1.083 5.585 ( -0.906 0.000 0.944) 1.309 5.586 ( -0.817 0.000 0.930) 1.238 5.599 ( -1.620 0.000 0.343) 1.656 5.599 ( -1.567 0.000 0.380) 1.612 5.604 ( 1.544 0.000 0.374) 1.588 5.609 ( 0.346 0.000 -0.791) 0.863 5.610 ( 0.321 0.000 -1.259) 1.299 5.613 ( 1.681 0.000 -0.336) 1.714 5.696 ( 2.188 0.000 -0.550) 2.256 5.704 ( 2.453 0.000 -0.059) 2.454 5.718 ( 3.696 0.000 -0.053) 3.697 5.721 ( 3.806 0.000 0.095) 3.807 5.795 ( -0.163 0.000 0.410) 0.442 5.799 ( -0.147 0.000 0.376) 0.404 5.803 ( -0.054 0.000 -0.418) 0.422 5.805 ( -0.056 0.000 -0.388) 0.392 6.091 ( -3.191 0.000 0.265) 3.202 6.092 ( -3.130 0.000 0.290) 3.143 6.100 ( -3.046 0.000 -0.173) 3.051 6.103 ( -3.112 0.000 -0.105) 3.113 6.316 ( -7.630 0.000 -0.221) 7.633 6.321 ( -7.684 0.000 -0.307) 7.690 6.335 ( -6.876 0.000 0.220) 6.880 6.337 ( -6.848 0.000 0.213) 6.852 6.461 ( 0.458 0.000 0.339) 0.570 6.464 ( 0.551 0.000 0.323) 0.638 6.465 ( 0.652 0.000 -0.371) 0.750 6.469 ( 0.567 0.000 -0.325) 0.653 6.516 ( 2.651 0.000 1.493) 3.043 6.528 ( 1.738 0.000 1.043) 2.027 6.541 ( 3.544 0.000 -1.443) 3.827 6.547 ( 2.919 0.000 -0.906) 3.057 6.661 ( -1.646 0.000 0.740) 1.804 6.666 ( -1.782 0.000 0.742) 1.930 6.687 ( -1.143 0.000 -0.749) 1.367 6.693 ( -1.237 0.000 -0.797) 1.472 6.771 ( 1.745 0.000 -0.399) 1.790 6.774 ( 1.385 0.000 -0.487) 1.469 6.806 ( 2.639 0.000 0.599) 2.706 6.816 ( 1.701 0.000 0.260) 1.720 6.868 ( 0.823 0.000 0.047) 0.824 6.869 ( 0.213 0.000 0.300) 0.368 6.876 ( -0.162 0.000 -0.388) 0.420 6.886 ( -0.170 0.000 -0.558) 0.583 6.940 ( 0.186 0.000 0.471) 0.507 6.941 ( 0.263 0.000 0.403) 0.481 6.948 ( 0.379 0.000 -0.387) 0.542 6.951 ( 0.454 0.000 -0.444) 0.635 7.155 ( 1.046 0.000 0.318) 1.093 7.162 ( 0.798 0.000 0.378) 0.883 7.164 ( 1.020 0.000 -0.307) 1.065 7.172 ( 0.765 0.000 -0.364) 0.847 7.211 ( 2.032 0.000 -0.047) 2.033 7.213 ( 2.485 0.000 0.077) 2.486 7.218 ( 2.090 0.000 -0.049) 2.091 7.219 ( 2.541 0.000 0.090) 2.543 7.337 ( -3.073 0.000 -0.022) 3.074 7.339 ( -2.805 0.000 -0.083) 2.806 7.340 ( -3.172 0.000 -0.046) 3.172 7.340 ( -2.744 0.000 -0.080) 2.745 7.689 ( 4.872 0.000 0.367) 4.886 7.691 ( 4.906 0.000 0.390) 4.921 7.703 ( 4.805 0.000 -0.230) 4.811 7.708 ( 4.836 0.000 -0.182) 4.839 7.781 ( -1.388 0.000 0.549) 1.493 7.783 ( -1.516 0.000 0.472) 1.588 7.795 ( -0.726 0.000 -0.598) 0.941 7.796 ( -0.667 0.000 -0.606) 0.901 8.401 ( -0.328 0.000 0.510) 0.606 8.403 ( -0.319 0.000 0.510) 0.602 8.421 ( 0.427 0.000 -0.450) 0.620 8.423 ( 0.419 0.000 -0.450) 0.615 8.524 ( -0.371 0.000 1.349) 1.399 8.526 ( -0.409 0.000 1.353) 1.413 8.554 ( 0.333 0.000 -1.260) 1.303 8.555 ( 0.318 0.000 -1.370) 1.406 8.654 ( 1.332 0.000 -0.147) 1.340 8.655 ( 1.215 0.000 -0.210) 1.233 8.658 ( 0.999 0.000 -0.371) 1.066 8.661 ( 0.942 0.000 -0.290) 0.986 8.695 ( 0.120 0.000 0.740) 0.750 8.698 ( -0.093 0.000 0.827) 0.832 8.703 ( -0.281 0.000 -0.505) 0.578 8.706 ( -0.277 0.000 -0.413) 0.497 8.713 ( -0.676 0.000 0.931) 1.151 8.726 ( -0.718 0.000 1.010) 1.240 8.734 ( -0.205 0.000 -0.795) 0.821 8.746 ( -0.264 0.000 -0.793) 0.836 8.833 ( -1.272 0.000 0.315) 1.311 8.840 ( -1.206 0.000 -0.286) 1.239 8.850 ( -1.282 0.000 0.240) 1.304 8.854 ( -1.235 0.000 -0.233) 1.257======================= Grid point 29 (13/26) =======================q-point: ( 0.25 0.00 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.465 ( 9.252 0.000 5.087) 10.558 0.491 ( 8.725 0.000 -4.161) 9.666 0.611 ( 6.244 0.000 2.845) 6.862 0.685 ( -0.357 0.000 -2.073) 2.104 0.707 ( 1.199 0.000 -0.915) 1.509 0.709 ( 1.889 0.000 0.132) 1.894 0.737 ( -0.158 0.000 0.107) 0.190 0.744 ( -3.113 0.000 0.044) 3.113 0.749 ( 0.774 0.000 0.112) 0.782 0.766 ( 4.239 0.000 6.189) 7.501 0.791 ( 3.617 0.000 2.175) 4.220 0.804 ( -1.689 0.000 0.756) 1.851 0.862 ( -1.160 0.000 3.265) 3.465 0.888 ( 5.847 0.000 5.821) 8.251 0.907 ( 5.033 0.000 -4.329) 6.639 0.931 ( 6.067 0.000 -5.118) 7.938 1.009 ( 0.561 0.000 3.042) 3.093 1.033 ( 2.387 0.000 -0.270) 2.402 1.078 ( 0.892 0.000 -0.399) 0.977 1.086 ( 5.799 0.000 4.035) 7.065 1.134 ( 7.340 0.000 0.447) 7.354 1.152 ( 9.014 0.000 -0.477) 9.027 1.179 ( 3.597 0.000 -0.220) 3.604 1.198 ( 5.772 0.000 -2.558) 6.313 1.249 ( 9.268 0.000 -7.088) 11.668 1.279 ( 8.986 0.000 0.441) 8.996 1.295 ( 9.027 0.000 -6.490) 11.117 1.310 ( 11.169 0.000 1.162) 11.230 1.405 ( 0.605 0.000 -0.069) 0.609 1.418 ( 0.362 0.000 -0.993) 1.057 1.451 ( 3.233 0.000 1.655) 3.632 1.466 ( -2.172 0.000 -2.592) 3.382 1.482 ( 5.445 0.000 1.745) 5.718 1.531 ( 2.187 0.000 1.299) 2.543 1.531 ( 3.272 0.000 0.943) 3.406 1.551 ( 2.257 0.000 -0.545) 2.322 1.608 ( 2.742 0.000 4.347) 5.139 1.652 ( -0.499 0.000 5.532) 5.554 1.729 ( 5.589 0.000 -4.308) 7.057 1.752 ( 6.408 0.000 -3.118) 7.126 1.801 ( 2.501 0.000 -2.399) 3.466 1.809 ( 3.620 0.000 -1.644) 3.975 1.841 ( 6.571 0.000 0.437) 6.585 1.871 ( 5.363 0.000 -0.986) 5.453 1.933 ( 0.520 0.000 1.329) 1.427 1.945 ( 2.355 0.000 1.352) 2.716 2.018 ( 1.986 0.000 0.656) 2.092 2.022 ( 0.738 0.000 1.445) 1.623 2.166 ( -6.392 0.000 2.501) 6.864 2.186 ( -5.281 0.000 -1.341) 5.449 2.215 ( -5.593 0.000 1.709) 5.848 2.220 ( -4.754 0.000 -0.756) 4.814 2.343 ( -0.593 0.000 1.644) 1.748 2.357 ( -0.521 0.000 1.329) 1.428 2.460 ( 0.841 0.000 -2.106) 2.267 2.463 ( 1.000 0.000 -2.061) 2.291 2.978 ( 0.614 0.000 -1.337) 1.471 2.983 ( 0.643 0.000 -1.360) 1.504 2.984 ( 0.876 0.000 -2.760) 2.895 3.003 ( 0.926 0.000 -3.315) 3.441 3.326 ( -1.801 0.000 2.907) 3.420 3.341 ( -1.469 0.000 2.724) 3.095 3.349 ( -0.703 0.000 -1.539) 1.692 3.358 ( -0.696 0.000 -1.641) 1.783 3.663 ( -4.009 0.000 2.424) 4.685 3.670 ( -3.784 0.000 1.804) 4.192 3.706 ( -1.926 0.000 -0.630) 2.027 3.715 ( -1.268 0.000 -0.461) 1.349 3.797 ( -3.429 0.000 7.450) 8.201 3.802 ( -3.338 0.000 6.562) 7.362 3.833 ( -0.701 0.000 1.835) 1.965 3.857 ( -0.240 0.000 2.329) 2.341 3.858 ( 0.862 0.000 0.516) 1.005 3.863 ( -3.435 0.000 -0.559) 3.480 3.871 ( 2.869 0.000 0.425) 2.900 3.879 ( 1.206 0.000 1.245) 1.733 3.932 ( -2.292 0.000 -0.764) 2.416 3.943 ( 1.735 0.000 -4.616) 4.932 3.946 ( 2.082 0.000 -3.883) 4.406 3.948 ( -2.263 0.000 -0.431) 2.304 3.967 ( 0.377 0.000 -0.751) 0.840 3.969 ( -1.228 0.000 -1.349) 1.825 4.064 ( 1.877 0.000 -3.423) 3.904 4.069 ( 2.070 0.000 -3.548) 4.108 4.324 ( -4.090 0.000 1.180) 4.257 4.326 ( -4.046 0.000 1.235) 4.231 4.390 ( 1.186 0.000 -0.656) 1.355 4.398 ( 0.938 0.000 -0.441) 1.036 4.427 ( 3.861 0.000 -1.450) 4.124 4.431 ( 3.304 0.000 0.825) 3.406 4.437 ( 3.647 0.000 -1.295) 3.870 4.439 ( 3.511 0.000 0.780) 3.596 4.474 ( -1.662 0.000 -1.367) 2.152 4.476 ( -1.463 0.000 -1.295) 1.954 4.508 ( 3.333 0.000 1.531) 3.668 4.514 ( 3.287 0.000 1.553) 3.635 4.570 ( -0.036 0.000 0.966) 0.967 4.574 ( -0.062 0.000 0.904) 0.906 4.579 ( 0.546 0.000 -0.488) 0.733 4.583 ( 0.821 0.000 -0.525) 0.975 4.629 ( -0.596 0.000 -2.056) 2.141 4.634 ( -0.487 0.000 -2.022) 2.080 4.666 ( 0.516 0.000 1.410) 1.502 4.668 ( 0.476 0.000 1.401) 1.480 4.945 ( -0.200 0.000 1.182) 1.199 4.945 ( -0.317 0.000 1.162) 1.204 4.975 ( -0.585 0.000 -0.920) 1.090 4.982 ( -0.582 0.000 -0.898) 1.071 5.019 ( -3.219 0.000 -0.074) 3.220 5.023 ( -3.107 0.000 -0.112) 3.109 5.044 ( -2.923 0.000 -0.200) 2.929 5.046 ( -2.760 0.000 -0.140) 2.763 5.154 ( -0.218 0.000 -0.049) 0.224 5.158 ( -0.467 0.000 -0.016) 0.467 5.198 ( -0.059 0.000 -0.539) 0.543 5.199 ( -0.091 0.000 -0.538) 0.546 5.267 ( 1.058 0.000 -0.090) 1.062 5.268 ( 0.788 0.000 -0.016) 0.789 5.306 ( 2.067 0.000 0.535) 2.135 5.308 ( 2.023 0.000 0.587) 2.106 5.328 ( 0.104 0.000 1.291) 1.295 5.332 ( 0.383 0.000 1.105) 1.169 5.370 ( -0.263 0.000 -0.857) 0.896 5.371 ( -0.371 0.000 -0.828) 0.907 5.530 ( -4.324 0.000 0.456) 4.348 5.535 ( -3.823 0.000 0.389) 3.843 5.550 ( -3.321 0.000 -0.486) 3.357 5.552 ( -3.331 0.000 -0.364) 3.351 5.625 ( 0.669 0.000 -0.011) 0.669 5.627 ( 0.848 0.000 -0.376) 0.928 5.630 ( 0.855 0.000 0.446) 0.964 5.636 ( 0.871 0.000 -0.167) 0.887 5.737 ( -0.025 0.000 -0.950) 0.950 5.748 ( -0.092 0.000 -0.795) 0.801 5.794 ( 0.023 0.000 0.463) 0.464 5.794 ( 1.679 0.000 0.264) 1.699 5.796 ( 0.430 0.000 0.570) 0.714 5.798 ( 0.357 0.000 -0.025) 0.358 5.798 ( 0.024 0.000 0.460) 0.460 5.799 ( -0.102 0.000 -0.405) 0.418 6.024 ( -2.613 0.000 -0.858) 2.750 6.025 ( -2.698 0.000 -0.844) 2.827 6.031 ( -1.520 0.000 0.828) 1.731 6.032 ( -1.493 0.000 0.821) 1.704 6.178 ( -5.436 0.000 0.513) 5.460 6.179 ( -5.652 0.000 0.511) 5.676 6.207 ( -4.693 0.000 -0.421) 4.712 6.208 ( -4.788 0.000 -0.422) 4.806 6.489 ( 1.444 0.000 -0.303) 1.475 6.490 ( 1.359 0.000 0.325) 1.397 6.492 ( 1.301 0.000 0.354) 1.348 6.494 ( 1.431 0.000 -0.321) 1.467 6.548 ( -1.507 0.000 0.574) 1.613 6.549 ( -1.268 0.000 0.711) 1.453 6.576 ( -0.866 0.000 -0.606) 1.057 6.576 ( -0.966 0.000 -0.390) 1.042 6.652 ( 0.591 0.000 0.625) 0.860 6.653 ( 0.428 0.000 0.611) 0.746 6.670 ( 0.280 0.000 -0.690) 0.745 6.674 ( 0.230 0.000 -0.705) 0.741 6.783 ( 0.340 0.000 -0.333) 0.476 6.784 ( 0.286 0.000 -0.197) 0.347 6.829 ( -0.062 0.000 0.662) 0.665 6.831 ( 0.137 0.000 0.727) 0.739 6.859 ( -1.153 0.000 -0.121) 1.160 6.860 ( -0.961 0.000 -0.366) 1.028 6.862 ( -1.181 0.000 -0.394) 1.245 6.870 ( -0.887 0.000 -0.551) 1.044 6.951 ( 0.562 0.000 0.487) 0.744 6.953 ( 0.628 0.000 0.386) 0.737 6.957 ( 0.710 0.000 -0.396) 0.813 6.960 ( 0.729 0.000 -0.497) 0.882 7.151 ( -1.225 0.000 -0.373) 1.280 7.153 ( -0.548 0.000 0.365) 0.658 7.158 ( -1.148 0.000 -0.341) 1.197 7.159 ( -0.499 0.000 0.339) 0.603 7.284 ( 4.671 0.000 0.065) 4.671 7.289 ( 4.555 0.000 0.041) 4.555 7.292 ( 4.815 0.000 -0.060) 4.815 7.297 ( 4.676 0.000 -0.065) 4.676 7.341 ( 3.221 0.000 0.302) 3.235 7.342 ( 3.133 0.000 0.301) 3.147 7.343 ( 3.045 0.000 -0.322) 3.062 7.344 ( 3.040 0.000 -0.327) 3.058 7.700 ( -3.165 0.000 -0.126) 3.168 7.702 ( -3.134 0.000 -0.097) 3.135 7.713 ( -3.003 0.000 0.117) 3.006 7.717 ( -2.897 0.000 0.086) 2.898 7.816 ( 3.609 0.000 0.938) 3.729 7.817 ( 3.654 0.000 0.995) 3.787 7.833 ( 4.007 0.000 -0.875) 4.102 7.837 ( 4.060 0.000 -0.935) 4.166 8.402 ( 0.118 0.000 0.649) 0.660 8.404 ( 0.111 0.000 0.689) 0.698 8.430 ( 0.837 0.000 -0.528) 0.990 8.431 ( 0.805 0.000 -0.569) 0.986 8.517 ( -1.102 0.000 1.259) 1.673 8.519 ( -1.125 0.000 1.275) 1.700 8.544 ( -0.626 0.000 -1.376) 1.512 8.545 ( -0.567 0.000 -1.458) 1.564 8.669 ( -0.045 0.000 0.390) 0.392 8.671 ( 0.176 0.000 0.378) 0.417 8.681 ( 1.472 0.000 -0.532) 1.565 8.685 ( 1.666 0.000 -0.392) 1.711 8.696 ( -0.115 0.000 -0.398) 0.414 8.700 ( -0.006 0.000 -0.368) 0.368 8.701 ( -0.567 0.000 0.812) 0.990 8.715 ( 0.081 0.000 0.560) 0.566 8.716 ( 1.142 0.000 0.276) 1.175 8.720 ( 1.257 0.000 0.354) 1.306 8.728 ( 0.099 0.000 -0.434) 0.446 8.737 ( -0.085 0.000 -0.504) 0.511 8.802 ( -2.050 0.000 0.264) 2.067 8.805 ( -2.121 0.000 -0.236) 2.134 8.817 ( -2.128 0.000 0.217) 2.139 8.819 ( -2.153 0.000 -0.206) 2.163======================= Grid point 30 (14/26) =======================q-point: ( 0.38 0.00 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.611 ( 2.887 0.000 0.995) 3.053 0.634 ( 4.143 0.000 -0.195) 4.147 0.641 ( -2.014 0.000 0.057) 2.015 0.692 ( -0.057 0.000 -0.479) 0.483 0.701 ( -0.887 0.000 0.239) 0.919 0.716 ( -0.566 0.000 0.079) 0.572 0.730 ( 0.029 0.000 0.043) 0.052 0.751 ( -1.072 0.000 -0.169) 1.085 0.782 ( 6.254 0.000 3.001) 6.937 0.804 ( 5.537 0.000 2.468) 6.062 0.846 ( 7.064 0.000 -4.827) 8.556 0.929 ( 7.311 0.000 0.244) 7.315 0.963 ( 4.804 0.000 8.649) 9.894 1.006 ( 4.750 0.000 -2.898) 5.564 1.006 ( 3.720 0.000 -0.269) 3.730 1.046 ( 9.211 0.000 -3.597) 9.888 1.061 ( 2.268 0.000 7.243) 7.589 1.065 ( -2.466 0.000 2.703) 3.659 1.118 ( 3.804 0.000 -0.222) 3.811 1.157 ( 1.506 0.000 2.123) 2.603 1.184 ( -2.452 0.000 2.160) 3.268 1.242 ( -0.724 0.000 -3.217) 3.297 1.245 ( 2.119 0.000 1.532) 2.614 1.306 ( 5.168 0.000 -1.417) 5.359 1.331 ( 3.520 0.000 -6.730) 7.595 1.342 ( 0.183 0.000 -2.037) 2.045 1.363 ( 3.669 0.000 -5.398) 6.526 1.382 ( -1.806 0.000 1.082) 2.105 1.396 ( -2.471 0.000 -1.266) 2.776 1.401 ( 0.101 0.000 -2.364) 2.366 1.419 ( 0.024 0.000 -3.073) 3.073 1.427 ( 1.655 0.000 -0.019) 1.655 1.548 ( -0.282 0.000 1.845) 1.866 1.556 ( -1.232 0.000 -0.672) 1.403 1.587 ( 1.322 0.000 0.636) 1.467 1.593 ( 2.431 0.000 0.361) 2.458 1.666 ( -0.406 0.000 5.300) 5.315 1.702 ( 1.052 0.000 6.924) 7.003 1.797 ( 3.915 0.000 -5.039) 6.381 1.834 ( -0.997 0.000 2.553) 2.741 1.840 ( 4.420 0.000 -4.707) 6.457 1.887 ( 0.178 0.000 2.993) 2.999 1.928 ( -0.792 0.000 -0.394) 0.884 2.002 ( -0.793 0.000 -0.510) 0.942 2.047 ( 8.810 0.000 0.514) 8.825 2.063 ( 8.327 0.000 0.063) 8.327 2.066 ( 8.525 0.000 -0.127) 8.525 2.082 ( 0.068 0.000 1.479) 1.480 2.109 ( 5.540 0.000 -0.031) 5.540 2.125 ( 2.362 0.000 -0.236) 2.373 2.141 ( -2.450 0.000 1.207) 2.731 2.160 ( -0.025 0.000 0.064) 0.068 2.320 ( -2.929 0.000 2.107) 3.609 2.334 ( -2.815 0.000 1.754) 3.317 2.408 ( -4.703 0.000 -2.884) 5.517 2.412 ( -4.688 0.000 -2.765) 5.443 2.982 ( 0.493 0.000 -1.522) 1.600 2.988 ( 0.532 0.000 -1.274) 1.381 2.988 ( 1.230 0.000 -2.963) 3.208 3.006 ( 1.314 0.000 -3.443) 3.685 3.309 ( -1.524 0.000 2.588) 3.003 3.327 ( -1.299 0.000 2.215) 2.568 3.338 ( 0.324 0.000 -1.487) 1.522 3.346 ( 0.278 0.000 -1.418) 1.445 3.591 ( -4.425 0.000 3.395) 5.578 3.597 ( -4.239 0.000 2.538) 4.940 3.645 ( -2.725 0.000 -1.776) 3.253 3.662 ( -2.556 0.000 -2.630) 3.667 3.785 ( -2.168 0.000 8.796) 9.059 3.792 ( -1.456 0.000 6.858) 7.011 3.826 ( -0.839 0.000 1.163) 1.434 3.827 ( -0.961 0.000 0.608) 1.137 3.838 ( -1.409 0.000 0.070) 1.411 3.859 ( -0.710 0.000 1.965) 2.090 3.905 ( -0.311 0.000 0.479) 0.571 3.918 ( 0.075 0.000 -0.381) 0.388 3.935 ( -0.335 0.000 -0.847) 0.911 3.952 ( 4.781 0.000 -1.862) 5.131 3.965 ( 4.582 0.000 -3.268) 5.628 3.966 ( 0.279 0.000 0.033) 0.281 4.005 ( 4.831 0.000 -3.225) 5.809 4.007 ( 5.025 0.000 -3.156) 5.934 4.088 ( 2.138 0.000 -1.547) 2.639 4.095 ( 2.254 0.000 -1.887) 2.939 4.228 ( -5.563 0.000 1.197) 5.690 4.232 ( -5.542 0.000 1.276) 5.688 4.336 ( -4.412 0.000 -1.117) 4.552 4.339 ( -4.490 0.000 -1.087) 4.620 4.494 ( 3.274 0.000 -0.775) 3.364 4.499 ( 3.254 0.000 -0.401) 3.278 4.512 ( 3.805 0.000 1.170) 3.981 4.519 ( 3.443 0.000 1.066) 3.605 4.522 ( 4.152 0.000 -0.243) 4.160 4.527 ( 4.593 0.000 -0.647) 4.639 4.565 ( 1.323 0.000 -0.276) 1.352 4.570 ( 2.286 0.000 -0.050) 2.287 4.599 ( 3.744 0.000 0.572) 3.787 4.601 ( 4.185 0.000 0.431) 4.207 4.604 ( -0.766 0.000 -1.798) 1.955 4.612 ( -0.726 0.000 -1.880) 2.016 4.649 ( 6.987 0.000 0.873) 7.041 4.650 ( 6.825 0.000 0.925) 6.887 4.665 ( -1.066 0.000 0.438) 1.153 4.673 ( -0.720 0.000 0.540) 0.900 4.938 ( -3.650 0.000 1.229) 3.851 4.941 ( -4.091 0.000 1.056) 4.225 4.944 ( -4.226 0.000 -0.215) 4.232 4.947 ( -4.701 0.000 -0.349) 4.714 4.957 ( -0.712 0.000 0.465) 0.850 4.963 ( -1.394 0.000 0.395) 1.449 4.987 ( -1.571 0.000 -1.495) 2.168 4.989 ( -1.295 0.000 -1.409) 1.913 5.156 ( 0.331 0.000 0.031) 0.333 5.157 ( 0.294 0.000 0.031) 0.295 5.188 ( -0.757 0.000 -0.410) 0.861 5.189 ( -0.712 0.000 -0.407) 0.820 5.273 ( -0.323 0.000 0.445) 0.550 5.277 ( -0.050 0.000 0.620) 0.622 5.326 ( -0.904 0.000 0.264) 0.942 5.328 ( -0.482 0.000 0.164) 0.509 5.339 ( 0.101 0.000 0.670) 0.678 5.343 ( -0.393 0.000 0.833) 0.921 5.358 ( -0.346 0.000 -0.673) 0.757 5.361 ( -0.193 0.000 -0.699) 0.725 5.440 ( -4.293 0.000 0.793) 4.365 5.452 ( -4.575 0.000 0.769) 4.639 5.469 ( -4.082 0.000 -1.024) 4.208 5.471 ( -4.067 0.000 -0.910) 4.167 5.629 ( -0.528 0.000 0.178) 0.557 5.632 ( -0.562 0.000 -0.174) 0.588 5.643 ( 0.233 0.000 0.217) 0.319 5.646 ( 0.241 0.000 -0.262) 0.355 5.676 ( -2.975 0.000 -0.342) 2.995 5.678 ( -3.627 0.000 -0.241) 3.635 5.721 ( -5.542 0.000 0.113) 5.543 5.723 ( -5.536 0.000 0.116) 5.537 5.794 ( -0.346 0.000 0.313) 0.467 5.795 ( -0.141 0.000 -0.339) 0.367 5.796 ( -0.158 0.000 -0.285) 0.326 5.796 ( -0.410 0.000 0.308) 0.513 6.072 ( 5.258 0.000 -1.218) 5.398 6.074 ( 5.320 0.000 -1.251) 5.466 6.105 ( 7.477 0.000 1.035) 7.549 6.107 ( 7.378 0.000 1.060) 7.453 6.114 ( -1.925 0.000 0.662) 2.035 6.115 ( -1.931 0.000 0.623) 2.029 6.166 ( 1.413 0.000 -0.546) 1.514 6.166 ( 1.398 0.000 -0.504) 1.486 6.452 ( -7.568 0.000 0.365) 7.576 6.454 ( -7.399 0.000 0.418) 7.411 6.485 ( -7.185 0.000 -0.101) 7.186 6.485 ( -7.301 0.000 -0.125) 7.302 6.503 ( -0.496 0.000 0.463) 0.679 6.505 ( -0.705 0.000 0.518) 0.875 6.510 ( 0.138 0.000 -0.338) 0.366 6.513 ( 0.249 0.000 -0.406) 0.476 6.674 ( 1.253 0.000 0.577) 1.379 6.674 ( 1.237 0.000 0.589) 1.370 6.688 ( 1.488 0.000 -0.607) 1.607 6.690 ( 1.402 0.000 -0.617) 1.532 6.810 ( 2.180 0.000 -0.089) 2.181 6.811 ( 2.223 0.000 -0.088) 2.225 6.829 ( -0.380 0.000 0.748) 0.839 6.833 ( -0.401 0.000 0.873) 0.960 6.846 ( -0.333 0.000 -0.570) 0.660 6.850 ( 0.386 0.000 -0.235) 0.452 6.851 ( 0.354 0.000 -0.337) 0.489 6.856 ( -0.302 0.000 -0.730) 0.790 6.962 ( 0.235 0.000 0.448) 0.506 6.964 ( 0.287 0.000 0.322) 0.432 6.968 ( 0.531 0.000 -0.312) 0.616 6.970 ( 0.537 0.000 -0.451) 0.701 7.135 ( -0.328 0.000 -0.024) 0.329 7.144 ( -0.255 0.000 -0.029) 0.256 7.148 ( -0.185 0.000 -0.074) 0.199 7.155 ( -0.127 0.000 -0.078) 0.149 7.364 ( 3.161 0.000 0.189) 3.167 7.367 ( 3.100 0.000 0.159) 3.104 7.371 ( 3.177 0.000 -0.196) 3.183 7.374 ( 3.097 0.000 -0.180) 3.102 7.426 ( 5.355 0.000 -0.433) 5.373 7.429 ( 5.453 0.000 -0.482) 5.474 7.433 ( 5.465 0.000 0.469) 5.486 7.434 ( 5.534 0.000 0.511) 5.557 7.622 ( -4.637 0.000 -0.052) 4.638 7.625 ( -4.622 0.000 -0.005) 4.622 7.640 ( -4.433 0.000 0.044) 4.433 7.646 ( -4.387 0.000 -0.001) 4.387 7.873 ( 1.631 0.000 0.813) 1.822 7.875 ( 1.628 0.000 0.876) 1.849 7.888 ( 2.086 0.000 -0.782) 2.228 7.892 ( 2.055 0.000 -0.832) 2.217 8.412 ( 0.441 0.000 0.954) 1.051 8.414 ( 0.448 0.000 0.984) 1.081 8.446 ( 1.083 0.000 -0.812) 1.354 8.447 ( 1.106 0.000 -0.807) 1.370 8.498 ( -1.340 0.000 1.002) 1.673 8.500 ( -1.373 0.000 1.019) 1.710 8.519 ( -1.051 0.000 -1.277) 1.654 8.520 ( -1.017 0.000 -1.284) 1.638 8.673 ( 0.305 0.000 0.591) 0.665 8.676 ( 0.166 0.000 0.807) 0.824 8.694 ( 0.521 0.000 -0.328) 0.616 8.697 ( -0.040 0.000 0.463) 0.465 8.697 ( 0.657 0.000 -0.455) 0.799 8.702 ( 0.619 0.000 -0.795) 1.008 8.709 ( -0.358 0.000 0.681) 0.770 8.711 ( 0.835 0.000 -0.838) 1.183 8.735 ( 0.334 0.000 0.083) 0.344 8.738 ( 0.031 0.000 0.027) 0.041 8.746 ( 1.096 0.000 -0.032) 1.096 8.752 ( 1.204 0.000 -0.045) 1.205 8.761 ( -2.031 0.000 -0.248) 2.047 8.765 ( -1.540 0.000 0.318) 1.573 8.775 ( -2.027 0.000 -0.222) 2.039 8.777 ( -1.915 0.000 0.264) 1.933======================= Grid point 31 (15/26) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( -0.510 0.000 1.489) 1.574 0.635 ( 0.478 0.000 2.012) 2.068 0.663 ( 1.480 0.000 -2.036) 2.517 0.679 ( -0.040 0.000 -1.537) 1.538 0.702 ( 0.496 0.000 0.201) 0.535 0.714 ( 0.152 0.000 0.689) 0.706 0.715 ( -0.743 0.000 -1.184) 1.398 0.729 ( -0.576 0.000 -0.557) 0.801 0.902 ( -6.599 0.000 2.197) 6.955 0.913 ( 2.011 0.000 2.981) 3.595 0.952 ( 0.917 0.000 -0.057) 0.919 0.982 ( 0.115 0.000 -2.536) 2.538 1.003 ( 4.246 0.000 5.385) 6.857 1.051 ( -1.552 0.000 4.876) 5.117 1.059 ( -6.887 0.000 3.052) 7.533 1.063 ( -4.409 0.000 4.393) 6.224 1.108 ( 1.920 0.000 2.116) 2.857 1.140 ( -0.402 0.000 -3.183) 3.208 1.148 ( 0.855 0.000 0.381) 0.936 1.157 ( 4.936 0.000 -3.754) 6.201 1.179 ( 1.013 0.000 -0.594) 1.174 1.189 ( 2.824 0.000 -1.142) 3.046 1.253 ( -6.627 0.000 -0.093) 6.628 1.301 ( 0.406 0.000 0.683) 0.794 1.313 ( 3.295 0.000 -1.433) 3.593 1.332 ( 0.366 0.000 -1.993) 2.026 1.346 ( -1.876 0.000 0.897) 2.080 1.359 ( -1.043 0.000 -1.816) 2.094 1.393 ( -0.193 0.000 -2.756) 2.763 1.422 ( 4.110 0.000 -7.341) 8.413 1.435 ( -1.803 0.000 -1.839) 2.576 1.460 ( 3.614 0.000 -4.365) 5.667 1.562 ( 2.015 0.000 1.133) 2.312 1.573 ( 1.904 0.000 1.216) 2.259 1.586 ( -1.081 0.000 -0.999) 1.471 1.598 ( -1.278 0.000 -1.564) 2.019 1.670 ( -2.979 0.000 7.831) 8.379 1.740 ( -2.515 0.000 7.405) 7.821 1.822 ( 1.085 0.000 -5.345) 5.454 1.830 ( 0.608 0.000 4.693) 4.732 1.874 ( 0.658 0.000 -4.543) 4.590 1.887 ( 0.105 0.000 4.997) 4.999 1.902 ( 0.075 0.000 -1.859) 1.860 1.966 ( 0.265 0.000 -1.808) 1.828 2.076 ( -0.221 0.000 1.409) 1.426 2.091 ( 0.355 0.000 0.241) 0.429 2.117 ( -0.593 0.000 0.643) 0.875 2.125 ( 0.863 0.000 0.107) 0.870 2.221 ( 6.125 0.000 1.252) 6.251 2.229 ( -3.309 0.000 0.063) 3.310 2.235 ( 2.100 0.000 1.484) 2.572 2.238 ( -1.887 0.000 0.478) 1.946 2.252 ( -3.683 0.000 0.116) 3.684 2.265 ( -4.276 0.000 0.811) 4.352 2.305 ( 1.384 0.000 -3.145) 3.436 2.310 ( 2.279 0.000 -2.665) 3.507 2.980 ( 0.356 0.000 -2.032) 2.063 2.988 ( 0.342 0.000 -1.742) 1.775 2.998 ( 1.367 0.000 -2.922) 3.226 3.015 ( 1.498 0.000 -3.396) 3.712 3.296 ( -1.300 0.000 2.747) 3.039 3.315 ( -1.129 0.000 2.055) 2.345 3.340 ( 0.638 0.000 -1.454) 1.588 3.350 ( 0.854 0.000 -1.277) 1.536 3.553 ( -1.259 0.000 3.835) 4.036 3.559 ( -0.986 0.000 2.853) 3.019 3.610 ( 0.388 0.000 -1.718) 1.761 3.624 ( 0.405 0.000 -2.455) 2.488 3.795 ( -2.129 0.000 8.682) 8.939 3.803 ( -1.170 0.000 5.750) 5.868 3.818 ( -0.468 0.000 0.946) 1.055 3.821 ( -0.178 0.000 1.077) 1.091 3.821 ( -0.229 0.000 -0.158) 0.279 3.854 ( -1.039 0.000 2.483) 2.692 3.901 ( -0.199 0.000 0.319) 0.376 3.916 ( -0.007 0.000 -0.559) 0.559 3.927 ( 0.092 0.000 -1.044) 1.048 3.963 ( -0.430 0.000 -0.304) 0.527 4.003 ( 1.261 0.000 -2.766) 3.040 4.011 ( 2.144 0.000 -4.967) 5.410 4.080 ( -3.657 0.000 -2.060) 4.197 4.085 ( 3.814 0.000 -1.482) 4.092 4.085 ( -2.850 0.000 -3.144) 4.243 4.089 ( 3.691 0.000 -1.356) 3.932 4.198 ( 2.522 0.000 3.076) 3.978 4.200 ( 2.489 0.000 3.172) 4.032 4.258 ( -1.922 0.000 -2.133) 2.871 4.260 ( -1.970 0.000 -2.111) 2.887 4.539 ( -1.531 0.000 0.251) 1.551 4.543 ( -1.133 0.000 0.264) 1.163 4.544 ( 1.377 0.000 0.046) 1.378 4.546 ( 0.744 0.000 0.391) 0.840 4.551 ( 0.729 0.000 0.366) 0.816 4.560 ( 0.707 0.000 0.490) 0.860 4.573 ( -0.516 0.000 -1.093) 1.209 4.584 ( -1.000 0.000 -1.363) 1.690 4.616 ( 2.504 0.000 0.521) 2.558 4.626 ( 2.473 0.000 0.824) 2.606 4.628 ( -2.948 0.000 -0.325) 2.966 4.643 ( -2.521 0.000 -0.596) 2.591 4.761 ( 10.200 0.000 0.401) 10.207 4.764 ( 10.183 0.000 0.176) 10.185 4.782 ( -10.345 0.000 -1.275) 10.424 4.784 ( -9.901 0.000 -1.291) 9.984 4.809 ( -8.940 0.000 1.140) 9.013 4.813 ( -8.648 0.000 1.057) 8.712 4.820 ( 9.209 0.000 0.123) 9.210 4.823 ( 8.874 0.000 0.103) 8.874 4.960 ( -0.159 0.000 0.612) 0.632 4.963 ( -0.107 0.000 0.616) 0.625 4.976 ( 0.315 0.000 -0.774) 0.836 4.980 ( 0.185 0.000 -0.816) 0.837 5.165 ( 0.430 0.000 0.375) 0.571 5.166 ( 0.436 0.000 0.402) 0.593 5.173 ( -0.481 0.000 -0.229) 0.532 5.174 ( -0.513 0.000 -0.288) 0.588 5.274 ( 1.265 0.000 0.267) 1.293 5.284 ( 1.095 0.000 0.637) 1.267 5.288 ( -1.006 0.000 -0.723) 1.239 5.299 ( -0.929 0.000 -0.598) 1.105 5.332 ( -0.450 0.000 1.390) 1.461 5.338 ( -0.103 0.000 0.847) 0.854 5.353 ( 0.177 0.000 -0.621) 0.646 5.357 ( 0.241 0.000 -0.697) 0.738 5.407 ( -0.594 0.000 0.831) 1.022 5.409 ( -0.103 0.000 0.714) 0.721 5.428 ( 0.363 0.000 -0.936) 1.004 5.429 ( 0.024 0.000 -0.900) 0.900 5.621 ( 0.646 0.000 0.700) 0.952 5.623 ( 0.826 0.000 0.613) 1.029 5.635 ( -0.628 0.000 -0.394) 0.742 5.637 ( -0.507 0.000 -0.656) 0.829 5.656 ( 0.222 0.000 0.395) 0.453 5.660 ( 0.265 0.000 0.052) 0.270 5.665 ( -0.464 0.000 -0.450) 0.647 5.667 ( -0.352 0.000 -0.582) 0.680 5.789 ( -0.198 0.000 0.204) 0.284 5.791 ( -0.208 0.000 0.187) 0.279 5.794 ( 0.205 0.000 -0.217) 0.299 5.795 ( 0.207 0.000 -0.166) 0.265 6.096 ( -0.469 0.000 0.444) 0.646 6.097 ( -0.469 0.000 0.424) 0.632 6.109 ( 0.816 0.000 -0.723) 1.091 6.111 ( 0.802 0.000 -0.746) 1.096 6.239 ( -1.551 0.000 0.654) 1.683 6.240 ( -1.485 0.000 0.694) 1.639 6.257 ( 0.903 0.000 -0.895) 1.271 6.258 ( 0.887 0.000 -0.861) 1.236 6.326 ( 1.756 0.000 1.006) 2.024 6.328 ( 1.492 0.000 0.941) 1.764 6.341 ( -1.380 0.000 -0.275) 1.407 6.342 ( -1.202 0.000 -0.222) 1.222 6.500 ( -0.178 0.000 0.480) 0.512 6.502 ( -0.198 0.000 0.544) 0.579 6.511 ( 0.168 0.000 -0.435) 0.467 6.514 ( 0.200 0.000 -0.487) 0.526 6.691 ( -0.157 0.000 0.512) 0.535 6.692 ( -0.096 0.000 0.529) 0.538 6.704 ( 0.154 0.000 -0.541) 0.562 6.704 ( 0.094 0.000 -0.575) 0.583 6.825 ( -0.284 0.000 0.708) 0.763 6.830 ( -0.305 0.000 0.862) 0.915 6.837 ( 0.228 0.000 0.297) 0.375 6.841 ( 0.530 0.000 0.372) 0.647 6.843 ( 0.524 0.000 -0.561) 0.768 6.850 ( 0.244 0.000 -0.846) 0.881 6.851 ( -0.478 0.000 -0.519) 0.705 6.852 ( -0.473 0.000 -0.522) 0.704 6.965 ( -0.177 0.000 0.414) 0.450 6.967 ( -0.160 0.000 0.265) 0.309 6.973 ( 0.162 0.000 -0.239) 0.289 6.975 ( 0.169 0.000 -0.399) 0.433 7.135 ( 0.213 0.000 0.304) 0.371 7.143 ( -0.214 0.000 -0.403) 0.457 7.144 ( 0.167 0.000 0.241) 0.294 7.151 ( -0.171 0.000 -0.356) 0.395 7.396 ( -0.016 0.000 0.237) 0.238 7.399 ( -0.014 0.000 0.203) 0.203 7.402 ( 0.019 0.000 -0.237) 0.238 7.404 ( 0.019 0.000 -0.211) 0.212 7.524 ( -4.446 0.000 -0.094) 4.447 7.524 ( 3.034 0.000 -0.129) 3.037 7.526 ( -4.424 0.000 -0.058) 4.425 7.528 ( 3.155 0.000 -0.208) 3.162 7.542 ( 4.223 0.000 0.533) 4.257 7.545 ( 4.450 0.000 0.638) 4.496 7.551 ( -2.938 0.000 -0.281) 2.952 7.556 ( -3.036 0.000 -0.363) 3.058 7.889 ( -0.290 0.000 0.736) 0.791 7.891 ( -0.293 0.000 0.798) 0.850 7.906 ( 0.280 0.000 -0.712) 0.764 7.909 ( 0.281 0.000 -0.761) 0.811 8.425 ( -0.012 0.000 1.305) 1.305 8.426 ( -0.017 0.000 1.315) 1.315 8.454 ( -0.000 0.000 -1.229) 1.229 8.456 ( 0.026 0.000 -1.192) 1.192 8.484 ( -0.428 0.000 0.721) 0.839 8.485 ( -0.453 0.000 0.756) 0.881 8.503 ( 0.440 0.000 -0.937) 1.035 8.505 ( 0.458 0.000 -0.937) 1.043 8.681 ( -0.229 0.000 1.102) 1.126 8.685 ( 0.075 0.000 0.891) 0.894 8.701 ( -0.450 0.000 -0.603) 0.752 8.702 ( -0.091 0.000 0.131) 0.159 8.705 ( -0.110 0.000 -0.817) 0.825 8.707 ( -0.453 0.000 0.267) 0.526 8.708 ( 0.564 0.000 -0.441) 0.716 8.719 ( 0.912 0.000 -0.708) 1.155 8.729 ( 0.101 0.000 0.001) 0.101 8.731 ( -0.131 0.000 -0.147) 0.197 8.737 ( 0.526 0.000 0.096) 0.535 8.740 ( -0.354 0.000 -0.112) 0.371 8.755 ( -0.363 0.000 0.511) 0.627 8.759 ( -0.487 0.000 0.511) 0.706 8.764 ( 0.186 0.000 -0.264) 0.323 8.767 ( 0.268 0.000 -0.176) 0.321======================= Grid point 32 (16/26) =======================q-point: (-0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( -0.701 0.000 0.784) 1.052 0.630 ( -9.033 0.000 -0.370) 9.041 0.660 ( -1.420 0.000 -1.596) 2.136 0.679 ( 2.210 0.000 0.746) 2.333 0.714 ( 2.133 0.000 -0.794) 2.276 0.717 ( 1.216 0.000 0.996) 1.572 0.720 ( 0.146 0.000 -0.196) 0.245 0.732 ( 1.402 0.000 0.908) 1.670 0.755 ( -3.277 0.000 2.765) 4.287 0.858 ( -7.479 0.000 -1.030) 7.549 0.872 ( -7.813 0.000 3.315) 8.487 0.888 ( -9.345 0.000 -0.110) 9.345 0.903 ( -11.927 0.000 3.341) 12.386 0.937 ( -8.800 0.000 4.708) 9.980 0.964 ( -0.951 0.000 0.669) 1.163 1.055 ( -4.073 0.000 -0.415) 4.094 1.108 ( -6.462 0.000 0.309) 6.470 1.123 ( -1.562 0.000 -1.299) 2.032 1.137 ( 0.189 0.000 2.162) 2.170 1.181 ( -0.376 0.000 1.521) 1.567 1.188 ( -0.788 0.000 1.918) 2.074 1.235 ( 4.645 0.000 -3.612) 5.884 1.268 ( -0.943 0.000 -2.636) 2.799 1.271 ( -3.598 0.000 2.419) 4.335 1.286 ( -1.628 0.000 -2.013) 2.589 1.333 ( -2.784 0.000 -1.770) 3.299 1.369 ( -0.349 0.000 0.073) 0.356 1.373 ( 2.012 0.000 -4.179) 4.638 1.388 ( 3.847 0.000 -1.650) 4.186 1.396 ( 1.160 0.000 0.317) 1.202 1.419 ( 0.098 0.000 -3.886) 3.887 1.468 ( -0.963 0.000 -4.144) 4.254 1.548 ( -1.483 0.000 0.163) 1.492 1.564 ( -1.026 0.000 -0.076) 1.029 1.591 ( -0.306 0.000 1.011) 1.056 1.601 ( 0.130 0.000 -0.151) 0.199 1.656 ( -2.404 0.000 6.598) 7.022 1.704 ( -4.642 0.000 7.107) 8.488 1.790 ( -0.691 0.000 -4.979) 5.026 1.831 ( -1.285 0.000 -4.506) 4.686 1.892 ( 2.401 0.000 3.122) 3.938 1.893 ( -2.171 0.000 -2.375) 3.218 1.952 ( 2.021 0.000 3.887) 4.381 1.952 ( -4.141 0.000 -2.589) 4.884 2.055 ( -8.917 0.000 -0.277) 8.921 2.055 ( -9.279 0.000 0.835) 9.317 2.070 ( -5.026 0.000 -0.272) 5.033 2.080 ( -7.110 0.000 1.231) 7.216 2.108 ( -5.696 0.000 0.885) 5.764 2.128 ( 1.738 0.000 -0.805) 1.915 2.148 ( -0.697 0.000 1.100) 1.303 2.161 ( 2.711 0.000 -0.233) 2.721 2.335 ( 4.149 0.000 3.049) 5.148 2.348 ( 3.990 0.000 2.536) 4.727 2.379 ( 3.931 0.000 -3.072) 4.989 2.387 ( 3.906 0.000 -2.876) 4.850 2.976 ( 0.662 0.000 -2.523) 2.608 2.984 ( 0.550 0.000 -2.188) 2.256 3.004 ( 0.889 0.000 -2.785) 2.924 3.022 ( 1.069 0.000 -3.411) 3.574 3.291 ( -0.800 0.000 2.927) 3.035 3.309 ( -0.669 0.000 2.130) 2.232 3.347 ( 0.881 0.000 -1.113) 1.420 3.362 ( 1.134 0.000 -1.153) 1.618 3.586 ( 2.246 0.000 3.979) 4.570 3.592 ( 2.547 0.000 2.858) 3.828 3.640 ( 3.162 0.000 -1.197) 3.381 3.648 ( 2.731 0.000 -1.452) 3.093 3.793 ( -2.600 0.000 7.897) 8.314 3.806 ( -2.353 0.000 7.088) 7.468 3.819 ( 0.032 0.000 1.023) 1.024 3.828 ( 1.030 0.000 -0.252) 1.061 3.835 ( 1.333 0.000 0.523) 1.432 3.848 ( -0.393 0.000 0.937) 1.017 3.898 ( -0.504 0.000 0.060) 0.507 3.911 ( -0.262 0.000 -0.905) 0.942 3.930 ( 1.006 0.000 -1.439) 1.756 3.944 ( -5.279 0.000 1.279) 5.431 3.950 ( -0.439 0.000 -1.036) 1.126 3.960 ( -4.982 0.000 0.988) 5.079 4.033 ( 1.824 0.000 -7.643) 7.857 4.048 ( 1.508 0.000 -6.660) 6.829 4.091 ( -2.294 0.000 -0.313) 2.315 4.092 ( -2.127 0.000 -0.268) 2.144 4.277 ( 4.892 0.000 -2.879) 5.676 4.281 ( 4.929 0.000 -2.771) 5.655 4.288 ( 4.278 0.000 2.911) 5.175 4.291 ( 4.250 0.000 3.020) 5.213 4.483 ( -3.612 0.000 0.060) 3.613 4.494 ( -3.527 0.000 0.016) 3.527 4.532 ( -5.305 0.000 -1.134) 5.425 4.533 ( -3.306 0.000 -0.150) 3.310 4.534 ( -4.746 0.000 -1.150) 4.884 4.535 ( -2.364 0.000 0.223) 2.374 4.552 ( -2.671 0.000 0.567) 2.730 4.565 ( -3.863 0.000 0.353) 3.879 4.573 ( 0.277 0.000 0.619) 0.679 4.578 ( -0.330 0.000 0.636) 0.717 4.605 ( -2.900 0.000 -0.013) 2.900 4.609 ( -2.695 0.000 -0.287) 2.710 4.661 ( -5.320 0.000 -0.194) 5.324 4.664 ( -5.725 0.000 -0.216) 5.729 4.671 ( 0.755 0.000 0.101) 0.762 4.678 ( 0.575 0.000 0.189) 0.605 4.932 ( 6.410 0.000 1.016) 6.490 4.935 ( 6.350 0.000 0.810) 6.401 4.951 ( 4.172 0.000 0.039) 4.172 4.955 ( 4.360 0.000 -0.131) 4.362 4.956 ( -0.512 0.000 0.842) 0.986 4.961 ( -0.370 0.000 0.718) 0.808 4.980 ( 0.550 0.000 -1.411) 1.515 4.981 ( 0.723 0.000 -1.324) 1.509 5.163 ( -0.232 0.000 -0.689) 0.727 5.164 ( -0.278 0.000 -0.665) 0.721 5.174 ( 0.158 0.000 0.750) 0.767 5.175 ( 0.131 0.000 0.739) 0.751 5.293 ( 0.716 0.000 -1.089) 1.303 5.298 ( 0.208 0.000 -1.039) 1.060 5.319 ( 0.898 0.000 1.084) 1.408 5.322 ( 1.370 0.000 0.864) 1.620 5.339 ( -0.053 0.000 0.974) 0.976 5.344 ( -0.372 0.000 0.803) 0.885 5.356 ( 0.321 0.000 -0.744) 0.810 5.361 ( 0.240 0.000 -0.710) 0.749 5.444 ( 4.243 0.000 1.007) 4.361 5.446 ( 4.120 0.000 1.035) 4.248 5.461 ( 4.183 0.000 -1.027) 4.307 5.469 ( 4.240 0.000 -0.759) 4.308 5.632 ( -0.107 0.000 -0.228) 0.252 5.638 ( -0.075 0.000 0.422) 0.428 5.640 ( 0.376 0.000 -0.575) 0.687 5.645 ( 0.084 0.000 0.042) 0.094 5.680 ( 2.994 0.000 -0.842) 3.111 5.685 ( 3.266 0.000 -0.825) 3.369 5.712 ( 5.903 0.000 0.885) 5.969 5.714 ( 6.027 0.000 0.879) 6.090 5.789 ( 0.064 0.000 0.183) 0.194 5.791 ( 0.095 0.000 0.147) 0.175 5.799 ( 0.429 0.000 -0.203) 0.475 5.802 ( 0.501 0.000 -0.151) 0.523 6.061 ( -5.531 0.000 -0.239) 5.537 6.062 ( -5.569 0.000 -0.242) 5.574 6.119 ( -5.672 0.000 0.055) 5.672 6.121 ( -5.463 0.000 0.033) 5.463 6.135 ( 0.408 0.000 -1.316) 1.378 6.136 ( -0.043 0.000 -1.321) 1.322 6.142 ( -1.104 0.000 1.502) 1.864 6.143 ( -1.158 0.000 1.477) 1.876 6.466 ( 7.462 0.000 -0.810) 7.506 6.468 ( 7.212 0.000 -0.776) 7.253 6.474 ( 7.396 0.000 0.847) 7.444 6.476 ( 7.460 0.000 0.835) 7.506 6.502 ( 0.228 0.000 0.407) 0.466 6.503 ( 0.167 0.000 0.425) 0.456 6.511 ( -0.041 0.000 -0.299) 0.302 6.515 ( -0.007 0.000 -0.337) 0.337 6.674 ( -1.650 0.000 0.590) 1.752 6.676 ( -1.568 0.000 0.640) 1.694 6.688 ( -1.136 0.000 -0.588) 1.279 6.688 ( -1.109 0.000 -0.636) 1.278 6.814 ( -1.629 0.000 -0.232) 1.645 6.816 ( -1.721 0.000 -0.423) 1.772 6.836 ( -0.919 0.000 0.858) 1.258 6.838 ( -0.970 0.000 0.805) 1.260 6.838 ( 0.196 0.000 -0.125) 0.233 6.841 ( 0.267 0.000 0.356) 0.445 6.845 ( 0.506 0.000 -0.666) 0.837 6.854 ( 0.587 0.000 -0.828) 1.015 6.960 ( -0.569 0.000 0.393) 0.692 6.961 ( -0.576 0.000 0.243) 0.625 6.971 ( -0.264 0.000 -0.227) 0.348 6.972 ( -0.236 0.000 -0.392) 0.457 7.138 ( -0.026 0.000 -0.327) 0.328 7.144 ( 0.545 0.000 0.285) 0.615 7.147 ( -0.049 0.000 -0.279) 0.283 7.151 ( 0.446 0.000 0.234) 0.504 7.366 ( -3.159 0.000 0.252) 3.169 7.369 ( -3.204 0.000 -0.255) 3.214 7.369 ( -3.087 0.000 0.217) 3.094 7.372 ( -3.131 0.000 -0.233) 3.140 7.420 ( -5.316 0.000 0.102) 5.317 7.422 ( -5.373 0.000 0.127) 5.375 7.439 ( -5.462 0.000 -0.079) 5.463 7.442 ( -5.571 0.000 -0.143) 5.573 7.626 ( 4.626 0.000 -0.355) 4.640 7.630 ( 4.617 0.000 -0.457) 4.640 7.636 ( 4.439 0.000 0.344) 4.452 7.641 ( 4.401 0.000 0.437) 4.423 7.870 ( -2.159 0.000 0.745) 2.284 7.873 ( -2.154 0.000 0.822) 2.305 7.891 ( -1.573 0.000 -0.709) 1.726 7.894 ( -1.555 0.000 -0.776) 1.738 8.423 ( -0.758 0.000 1.196) 1.416 8.424 ( -0.816 0.000 1.184) 1.438 8.437 ( -0.745 0.000 -1.132) 1.355 8.439 ( -0.740 0.000 -1.120) 1.343 8.493 ( 0.751 0.000 0.940) 1.203 8.494 ( 0.722 0.000 0.935) 1.182 8.522 ( 1.715 0.000 -1.091) 2.032 8.524 ( 1.728 0.000 -1.083) 2.039 8.679 ( -0.550 0.000 1.041) 1.177 8.682 ( -0.584 0.000 0.953) 1.118 8.686 ( -0.402 0.000 -0.566) 0.694 8.691 ( -0.509 0.000 -0.588) 0.777 8.692 ( -0.567 0.000 0.097) 0.575 8.698 ( -0.428 0.000 0.157) 0.456 8.713 ( 0.500 0.000 -0.772) 0.919 8.726 ( 0.527 0.000 -0.747) 0.914 8.738 ( -0.623 0.000 -0.218) 0.660 8.740 ( -1.208 0.000 0.430) 1.282 8.741 ( -0.261 0.000 -0.241) 0.356 8.744 ( -1.335 0.000 0.555) 1.446 8.758 ( 2.101 0.000 0.122) 2.104 8.769 ( 1.356 0.000 -0.032) 1.356 8.771 ( 2.143 0.000 0.112) 2.146 8.781 ( 1.785 0.000 -0.064) 1.786======================= Grid point 33 (17/26) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( -12.969 0.000 3.173) 13.352 0.553 ( -6.043 0.000 -1.459) 6.216 0.626 ( -2.241 0.000 2.555) 3.399 0.653 ( -12.334 0.000 6.244) 13.825 0.671 ( -11.192 0.000 4.295) 11.988 0.698 ( -3.103 0.000 1.831) 3.603 0.713 ( -0.987 0.000 -0.944) 1.366 0.735 ( -0.077 0.000 0.678) 0.682 0.751 ( 0.145 0.000 -1.241) 1.250 0.755 ( -1.825 0.000 1.077) 2.119 0.784 ( 0.960 0.000 0.881) 1.303 0.798 ( 1.716 0.000 1.135) 2.058 0.808 ( 0.473 0.000 1.480) 1.554 0.834 ( 0.561 0.000 0.680) 0.882 0.958 ( -0.471 0.000 -0.719) 0.860 0.973 ( -2.098 0.000 -2.743) 3.453 1.003 ( -6.838 0.000 1.844) 7.082 1.035 ( -7.884 0.000 1.361) 8.000 1.104 ( -2.469 0.000 0.793) 2.593 1.137 ( -6.793 0.000 1.265) 6.910 1.146 ( -8.600 0.000 -1.591) 8.746 1.146 ( -2.236 0.000 -0.762) 2.362 1.172 ( -8.563 0.000 -2.161) 8.831 1.211 ( -3.588 0.000 -2.212) 4.215 1.231 ( -4.889 0.000 -1.462) 5.103 1.267 ( -3.377 0.000 -2.366) 4.123 1.307 ( -8.577 0.000 -3.491) 9.261 1.344 ( -11.756 0.000 -2.053) 11.934 1.372 ( -4.694 0.000 0.303) 4.704 1.396 ( -1.331 0.000 -2.085) 2.473 1.405 ( 0.454 0.000 2.348) 2.392 1.420 ( -0.302 0.000 3.542) 3.555 1.547 ( -6.111 0.000 -3.083) 6.845 1.553 ( 0.579 0.000 -0.141) 0.596 1.569 ( 1.204 0.000 -0.792) 1.442 1.579 ( -1.558 0.000 -0.674) 1.698 1.609 ( -5.590 0.000 4.501) 7.177 1.642 ( -3.561 0.000 5.783) 6.791 1.732 ( -5.145 0.000 -5.163) 7.289 1.743 ( -5.985 0.000 -1.257) 6.116 1.780 ( -4.657 0.000 -0.109) 4.659 1.796 ( -1.426 0.000 -2.877) 3.211 1.853 ( -6.229 0.000 -0.367) 6.240 1.868 ( -5.287 0.000 -0.504) 5.311 1.932 ( 0.122 0.000 1.474) 1.479 1.952 ( -2.595 0.000 0.764) 2.705 2.015 ( -2.032 0.000 1.115) 2.318 2.027 ( -1.048 0.000 0.963) 1.423 2.151 ( 5.401 0.000 1.710) 5.665 2.200 ( 4.394 0.000 0.964) 4.498 2.208 ( 5.547 0.000 -0.879) 5.617 2.240 ( 5.212 0.000 -0.248) 5.217 2.393 ( -0.224 0.000 3.436) 3.444 2.401 ( 0.267 0.000 -3.348) 3.359 2.402 ( -0.199 0.000 2.957) 2.963 2.409 ( 0.180 0.000 -3.134) 3.139 2.978 ( 0.945 0.000 -2.808) 2.962 2.986 ( 0.872 0.000 -2.378) 2.532 3.001 ( 0.347 0.000 -2.644) 2.667 3.018 ( 0.599 0.000 -3.455) 3.506 3.299 ( -0.069 0.000 3.173) 3.173 3.315 ( -0.026 0.000 2.515) 2.515 3.367 ( 1.874 0.000 -1.037) 2.142 3.382 ( 1.588 0.000 -1.231) 2.009 3.661 ( 2.547 0.000 3.549) 4.368 3.665 ( 2.643 0.000 2.530) 3.659 3.684 ( 0.619 0.000 1.389) 1.521 3.692 ( 1.762 0.000 0.169) 1.770 3.791 ( -1.346 0.000 4.942) 5.122 3.797 ( -1.914 0.000 5.450) 5.776 3.828 ( 0.169 0.000 1.328) 1.339 3.840 ( -1.467 0.000 1.248) 1.926 3.854 ( 0.694 0.000 0.005) 0.694 3.855 ( -3.063 0.000 1.823) 3.565 3.872 ( -0.746 0.000 1.304) 1.502 3.882 ( 2.857 0.000 0.034) 2.857 3.924 ( 2.339 0.000 -0.919) 2.513 3.941 ( 2.202 0.000 0.261) 2.217 3.946 ( 1.873 0.000 -1.423) 2.352 3.962 ( 3.440 0.000 -1.707) 3.840 4.025 ( 1.625 0.000 -7.651) 7.822 4.039 ( 1.296 0.000 -6.925) 7.045 4.045 ( -1.707 0.000 -0.547) 1.792 4.047 ( -1.823 0.000 -0.583) 1.914 4.357 ( -0.045 0.000 2.131) 2.131 4.361 ( 3.761 0.000 -1.881) 4.205 4.361 ( 0.058 0.000 2.384) 2.385 4.363 ( 3.531 0.000 -1.822) 3.973 4.419 ( -4.062 0.000 0.017) 4.062 4.421 ( -4.133 0.000 0.127) 4.135 4.448 ( -2.675 0.000 -0.754) 2.780 4.454 ( -3.057 0.000 -0.562) 3.109 4.454 ( 0.082 0.000 0.414) 0.422 4.455 ( -0.049 0.000 0.023) 0.054 4.528 ( -2.407 0.000 0.127) 2.410 4.533 ( -2.062 0.000 0.315) 2.086 4.564 ( -0.954 0.000 0.747) 1.212 4.568 ( -0.847 0.000 0.662) 1.075 4.587 ( 0.167 0.000 -0.437) 0.467 4.591 ( 0.111 0.000 -0.459) 0.472 4.601 ( -0.524 0.000 -0.099) 0.534 4.604 ( -0.659 0.000 0.209) 0.691 4.683 ( 0.067 0.000 -0.051) 0.084 4.685 ( -0.186 0.000 -0.098) 0.210 4.953 ( -0.300 0.000 1.102) 1.142 4.958 ( -0.307 0.000 1.326) 1.361 4.977 ( 0.651 0.000 -1.546) 1.678 4.979 ( 0.656 0.000 -1.700) 1.822 5.018 ( 2.634 0.000 -0.004) 2.634 5.019 ( 2.422 0.000 0.061) 2.422 5.032 ( 3.980 0.000 0.645) 4.031 5.033 ( 3.880 0.000 0.782) 3.958 5.160 ( 0.442 0.000 -0.721) 0.846 5.163 ( 0.628 0.000 -0.591) 0.863 5.177 ( -0.325 0.000 1.061) 1.110 5.178 ( -0.355 0.000 0.983) 1.045 5.278 ( -1.594 0.000 -0.683) 1.734 5.280 ( -1.365 0.000 -0.689) 1.529 5.311 ( -1.836 0.000 0.047) 1.837 5.315 ( -1.858 0.000 -0.081) 1.860 5.342 ( -0.170 0.000 1.719) 1.727 5.343 ( -0.201 0.000 1.777) 1.788 5.358 ( 0.579 0.000 -1.303) 1.426 5.359 ( 0.478 0.000 -1.266) 1.353 5.532 ( 3.555 0.000 0.876) 3.662 5.535 ( 3.655 0.000 0.974) 3.782 5.539 ( 3.467 0.000 -0.410) 3.491 5.542 ( 3.179 0.000 -0.349) 3.198 5.620 ( -0.940 0.000 0.055) 0.942 5.632 ( -0.600 0.000 0.183) 0.627 5.633 ( -0.646 0.000 -0.415) 0.767 5.639 ( -0.560 0.000 -0.244) 0.611 5.736 ( 0.804 0.000 -0.891) 1.201 5.745 ( 0.716 0.000 -0.601) 0.935 5.786 ( -1.334 0.000 0.408) 1.395 5.790 ( -1.039 0.000 0.292) 1.079 5.796 ( -0.831 0.000 0.632) 1.044 5.797 ( -0.718 0.000 0.636) 0.959 5.803 ( 0.017 0.000 -0.319) 0.320 5.807 ( 0.042 0.000 -0.292) 0.295 6.011 ( 3.584 0.000 0.255) 3.593 6.012 ( 3.603 0.000 0.234) 3.611 6.044 ( 0.819 0.000 -0.327) 0.882 6.045 ( 0.718 0.000 -0.308) 0.781 6.192 ( 5.052 0.000 0.891) 5.130 6.193 ( 5.186 0.000 0.880) 5.260 6.194 ( 5.144 0.000 -0.835) 5.211 6.195 ( 5.294 0.000 -0.818) 5.357 6.484 ( -1.424 0.000 0.143) 1.432 6.488 ( -1.368 0.000 0.202) 1.383 6.495 ( -1.485 0.000 -0.170) 1.495 6.499 ( -1.459 0.000 -0.226) 1.477 6.557 ( -0.080 0.000 0.997) 1.000 6.560 ( -0.073 0.000 1.037) 1.039 6.564 ( 1.932 0.000 -0.805) 2.093 6.568 ( 1.871 0.000 -0.920) 2.085 6.652 ( -0.510 0.000 0.799) 0.947 6.656 ( -0.462 0.000 0.828) 0.948 6.666 ( -0.348 0.000 -0.690) 0.773 6.668 ( -0.175 0.000 -0.765) 0.785 6.790 ( -0.254 0.000 -0.927) 0.961 6.793 ( -0.132 0.000 -0.912) 0.922 6.828 ( -0.451 0.000 1.054) 1.146 6.828 ( -0.516 0.000 1.037) 1.158 6.854 ( 1.307 0.000 0.060) 1.308 6.857 ( 1.116 0.000 -0.321) 1.162 6.858 ( 1.251 0.000 0.390) 1.311 6.865 ( 1.108 0.000 -0.685) 1.303 6.948 ( -0.767 0.000 0.421) 0.875 6.949 ( -0.779 0.000 0.326) 0.845 6.961 ( -0.574 0.000 -0.270) 0.635 6.962 ( -0.527 0.000 -0.419) 0.674 7.145 ( 0.923 0.000 0.141) 0.933 7.152 ( 0.822 0.000 0.155) 0.837 7.159 ( 0.920 0.000 -0.108) 0.927 7.165 ( 0.919 0.000 -0.128) 0.928 7.286 ( -4.794 0.000 -0.173) 4.797 7.288 ( -4.690 0.000 0.218) 4.695 7.292 ( -4.665 0.000 -0.165) 4.668 7.294 ( -4.562 0.000 0.198) 4.567 7.338 ( -2.836 0.000 0.123) 2.838 7.339 ( -2.852 0.000 0.163) 2.857 7.348 ( -3.378 0.000 -0.221) 3.385 7.349 ( -3.402 0.000 -0.253) 3.411 7.701 ( 3.122 0.000 -0.220) 3.130 7.704 ( 3.060 0.000 -0.308) 3.076 7.712 ( 3.067 0.000 0.213) 3.075 7.715 ( 2.997 0.000 0.279) 3.010 7.813 ( -4.134 0.000 0.834) 4.217 7.815 ( -4.250 0.000 0.937) 4.352 7.836 ( -3.503 0.000 -0.782) 3.590 7.839 ( -3.531 0.000 -0.868) 3.636 8.414 ( -0.667 0.000 0.880) 1.104 8.415 ( -0.620 0.000 0.900) 1.093 8.421 ( -0.333 0.000 -0.897) 0.957 8.422 ( -0.339 0.000 -0.899) 0.961 8.514 ( 0.539 0.000 1.217) 1.331 8.515 ( 0.718 0.000 1.207) 1.405 8.547 ( 1.357 0.000 -1.335) 1.904 8.549 ( 1.359 0.000 -1.319) 1.894 8.671 ( -0.816 0.000 0.510) 0.963 8.677 ( -0.831 0.000 0.733) 1.109 8.679 ( -0.364 0.000 -0.508) 0.625 8.679 ( -0.790 0.000 -0.479) 0.924 8.686 ( -0.136 0.000 0.047) 0.144 8.690 ( -0.223 0.000 0.113) 0.250 8.714 ( -1.159 0.000 0.321) 1.203 8.717 ( -1.285 0.000 0.297) 1.319 8.719 ( -0.912 0.000 0.427) 1.007 8.722 ( 0.810 0.000 -0.857) 1.179 8.727 ( -0.633 0.000 0.468) 0.787 8.735 ( 0.819 0.000 -0.768) 1.123 8.800 ( 2.024 0.000 0.218) 2.036 8.807 ( 2.125 0.000 -0.177) 2.133 8.815 ( 2.105 0.000 0.164) 2.111 8.821 ( 2.164 0.000 -0.143) 2.168======================= Grid point 34 (18/26) =======================q-point: (-0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.213 ( -8.518 0.000 6.809) 10.905 0.431 ( -5.944 0.000 -0.653) 5.980 0.467 ( -11.394 0.000 6.543) 13.139 0.497 ( -9.510 0.000 4.923) 10.708 0.603 ( -3.357 0.000 -0.162) 3.361 0.666 ( -5.668 0.000 0.580) 5.698 0.672 ( -0.355 0.000 1.562) 1.601 0.700 ( -10.069 0.000 8.706) 13.311 0.702 ( -21.498 0.000 9.383) 23.456 0.734 ( -0.554 0.000 1.250) 1.367 0.761 ( -0.855 0.000 1.482) 1.711 0.764 ( -8.051 0.000 1.099) 8.126 0.829 ( -2.361 0.000 -2.123) 3.175 0.843 ( 0.559 0.000 1.996) 2.073 0.858 ( -17.367 0.000 -5.254) 18.144 0.878 ( 4.410 0.000 1.964) 4.828 0.881 ( -16.720 0.000 -4.092) 17.214 0.906 ( 2.981 0.000 -1.252) 3.234 0.955 ( -5.877 0.000 0.558) 5.903 0.987 ( -3.519 0.000 -1.456) 3.809 0.989 ( -2.153 0.000 0.802) 2.298 1.028 ( -8.525 0.000 1.304) 8.624 1.051 ( -4.652 0.000 -2.544) 5.302 1.071 ( -2.459 0.000 -4.867) 5.453 1.095 ( -6.326 0.000 -0.929) 6.394 1.128 ( 2.105 0.000 -6.654) 6.979 1.178 ( -2.450 0.000 -1.042) 2.663 1.187 ( -0.034 0.000 -2.648) 2.648 1.343 ( -1.474 0.000 2.708) 3.083 1.356 ( -2.252 0.000 1.161) 2.533 1.394 ( -2.550 0.000 2.957) 3.904 1.426 ( -1.413 0.000 4.133) 4.368 1.445 ( -1.310 0.000 -3.702) 3.927 1.510 ( -1.781 0.000 -1.892) 2.599 1.529 ( -0.637 0.000 -4.164) 4.212 1.559 ( -0.411 0.000 -4.419) 4.438 1.591 ( -1.067 0.000 4.374) 4.502 1.635 ( -1.011 0.000 4.404) 4.518 1.683 ( 1.276 0.000 -2.089) 2.448 1.709 ( -0.082 0.000 4.131) 4.131 1.741 ( -0.947 0.000 -0.613) 1.128 1.764 ( -0.693 0.000 -2.712) 2.799 1.806 ( 0.020 0.000 -1.561) 1.561 1.822 ( -0.464 0.000 -1.904) 1.960 1.919 ( -1.401 0.000 0.583) 1.518 1.925 ( -1.123 0.000 0.595) 1.271 1.990 ( -1.122 0.000 0.911) 1.445 2.003 ( -1.557 0.000 0.816) 1.758 2.259 ( 3.972 0.000 1.599) 4.282 2.295 ( 4.029 0.000 1.121) 4.182 2.298 ( 3.599 0.000 -0.891) 3.707 2.332 ( 3.570 0.000 -0.532) 3.609 2.373 ( -2.700 0.000 2.275) 3.531 2.376 ( -0.160 0.000 -2.174) 2.180 2.383 ( -0.452 0.000 -1.949) 2.000 2.384 ( -2.244 0.000 1.700) 2.815 2.978 ( 0.575 0.000 -2.646) 2.707 2.987 ( 0.401 0.000 -2.189) 2.225 2.992 ( 0.277 0.000 -2.535) 2.550 3.011 ( 0.607 0.000 -3.407) 3.460 3.320 ( 0.184 0.000 3.607) 3.611 3.331 ( -0.046 0.000 3.193) 3.193 3.399 ( 1.865 0.000 -1.865) 2.637 3.403 ( 1.288 0.000 -1.654) 2.096 3.695 ( -0.075 0.000 1.660) 1.661 3.696 ( -0.468 0.000 1.625) 1.691 3.698 ( -0.121 0.000 1.983) 1.987 3.705 ( -0.248 0.000 0.475) 0.536 3.787 ( -1.673 0.000 4.474) 4.776 3.792 ( -1.374 0.000 4.850) 5.041 3.821 ( -1.255 0.000 3.052) 3.300 3.829 ( -0.833 0.000 1.816) 1.998 3.839 ( -0.570 0.000 3.191) 3.241 3.865 ( 0.424 0.000 -0.490) 0.648 3.872 ( -0.680 0.000 1.634) 1.770 3.902 ( 0.361 0.000 -1.027) 1.088 4.011 ( 0.361 0.000 -2.296) 2.325 4.013 ( 0.124 0.000 -2.068) 2.072 4.013 ( 5.618 0.000 -1.278) 5.762 4.018 ( 3.034 0.000 -4.660) 5.560 4.026 ( 5.539 0.000 -1.355) 5.703 4.030 ( 2.184 0.000 -6.943) 7.278 4.044 ( 5.477 0.000 -0.272) 5.483 4.059 ( 5.659 0.000 -0.901) 5.730 4.318 ( -3.979 0.000 0.845) 4.067 4.327 ( -4.044 0.000 0.831) 4.129 4.342 ( -3.260 0.000 -0.633) 3.321 4.345 ( -3.327 0.000 -0.604) 3.381 4.353 ( -1.777 0.000 1.164) 2.124 4.363 ( -1.807 0.000 1.156) 2.145 4.450 ( -0.063 0.000 -3.381) 3.382 4.453 ( 0.008 0.000 -3.476) 3.476 4.474 ( -0.137 0.000 1.076) 1.084 4.480 ( -1.035 0.000 0.605) 1.199 4.487 ( 1.060 0.000 1.164) 1.574 4.490 ( 1.221 0.000 1.355) 1.824 4.570 ( 0.575 0.000 0.569) 0.809 4.572 ( 0.787 0.000 0.563) 0.968 4.603 ( 1.619 0.000 -0.388) 1.665 4.606 ( 1.571 0.000 -0.362) 1.612 4.615 ( 1.012 0.000 1.534) 1.837 4.618 ( 0.913 0.000 1.632) 1.870 4.671 ( -0.709 0.000 -0.851) 1.108 4.675 ( -0.569 0.000 -0.755) 0.945 4.957 ( -0.059 0.000 1.453) 1.455 4.964 ( 0.019 0.000 1.653) 1.653 4.986 ( 1.224 0.000 -1.825) 2.197 4.990 ( 1.455 0.000 -1.656) 2.205 5.063 ( 1.904 0.000 0.464) 1.960 5.066 ( 2.481 0.000 0.826) 2.614 5.098 ( 2.476 0.000 0.004) 2.476 5.098 ( 2.441 0.000 -0.101) 2.443 5.174 ( -0.473 0.000 1.273) 1.358 5.174 ( 1.331 0.000 -0.561) 1.444 5.175 ( -0.481 0.000 1.345) 1.428 5.182 ( 1.626 0.000 -0.190) 1.638 5.242 ( -1.547 0.000 -0.326) 1.581 5.246 ( -1.521 0.000 -0.292) 1.549 5.268 ( -2.261 0.000 -0.274) 2.278 5.270 ( -2.394 0.000 -0.333) 2.417 5.344 ( -0.651 0.000 1.792) 1.906 5.347 ( -0.566 0.000 1.901) 1.984 5.364 ( 0.879 0.000 -1.501) 1.740 5.367 ( 1.028 0.000 -1.588) 1.891 5.580 ( 0.291 0.000 1.269) 1.302 5.582 ( 0.197 0.000 1.043) 1.061 5.583 ( 0.462 0.000 0.902) 1.014 5.587 ( 1.298 0.000 0.497) 1.390 5.602 ( -0.181 0.000 -0.396) 0.436 5.612 ( -1.001 0.000 -0.731) 1.239 5.622 ( 0.019 0.000 -0.492) 0.493 5.626 ( -0.123 0.000 -0.722) 0.733 5.696 ( -2.406 0.000 -0.539) 2.465 5.705 ( -2.462 0.000 -0.239) 2.474 5.714 ( -3.468 0.000 0.305) 3.482 5.721 ( -3.211 0.000 0.078) 3.212 5.794 ( -0.065 0.000 0.362) 0.368 5.797 ( 0.008 0.000 0.301) 0.301 5.805 ( 0.230 0.000 -0.394) 0.456 5.808 ( 0.132 0.000 -0.368) 0.391 6.095 ( 3.113 0.000 0.325) 3.130 6.098 ( 3.094 0.000 -0.333) 3.112 6.098 ( 3.196 0.000 0.334) 3.213 6.099 ( 3.026 0.000 -0.286) 3.040 6.318 ( 6.944 0.000 -0.348) 6.953 6.321 ( 6.879 0.000 -0.255) 6.883 6.335 ( 7.648 0.000 0.240) 7.652 6.336 ( 7.603 0.000 0.258) 7.608 6.458 ( -0.723 0.000 0.232) 0.760 6.462 ( -0.698 0.000 0.277) 0.751 6.468 ( -0.288 0.000 -0.256) 0.385 6.471 ( -0.449 0.000 -0.290) 0.535 6.506 ( -4.247 0.000 1.523) 4.512 6.515 ( -3.282 0.000 2.016) 3.852 6.546 ( -2.288 0.000 -1.094) 2.536 6.546 ( -2.069 0.000 -0.737) 2.196 6.668 ( 1.049 0.000 0.932) 1.404 6.672 ( 1.141 0.000 0.950) 1.484 6.680 ( 1.790 0.000 -0.914) 2.010 6.685 ( 1.941 0.000 -0.942) 2.157 6.769 ( -1.835 0.000 -0.215) 1.847 6.771 ( -2.151 0.000 -0.401) 2.188 6.805 ( -2.778 0.000 0.667) 2.857 6.809 ( -2.418 0.000 0.796) 2.545 6.867 ( -0.326 0.000 0.338) 0.470 6.874 ( 0.388 0.000 -0.403) 0.559 6.874 ( -0.256 0.000 0.528) 0.587 6.881 ( 0.670 0.000 -0.724) 0.986 6.940 ( -0.345 0.000 0.373) 0.508 6.940 ( -0.358 0.000 0.430) 0.559 6.950 ( -0.286 0.000 -0.334) 0.440 6.951 ( -0.254 0.000 -0.441) 0.509 7.156 ( -0.981 0.000 0.313) 1.029 7.163 ( -1.120 0.000 -0.343) 1.171 7.164 ( -0.812 0.000 0.383) 0.898 7.172 ( -0.775 0.000 -0.461) 0.901 7.211 ( -2.169 0.000 0.017) 2.169 7.214 ( -2.290 0.000 -0.007) 2.290 7.217 ( -2.193 0.000 0.022) 2.193 7.220 ( -2.319 0.000 0.005) 2.320 7.338 ( 2.822 0.000 -0.097) 2.824 7.338 ( 3.035 0.000 -0.054) 3.036 7.338 ( 2.934 0.000 0.064) 2.935 7.340 ( 2.892 0.000 -0.022) 2.892 7.694 ( -5.442 0.000 0.547) 5.469 7.698 ( -4.220 0.000 -0.360) 4.235 7.699 ( -5.575 0.000 0.636) 5.611 7.700 ( -4.247 0.000 -0.418) 4.267 7.782 ( 1.257 0.000 0.528) 1.364 7.785 ( 1.401 0.000 0.459) 1.474 7.796 ( 0.731 0.000 -0.677) 0.997 7.796 ( 0.925 0.000 -0.589) 1.097 8.408 ( -0.385 0.000 0.620) 0.730 8.410 ( -0.328 0.000 0.641) 0.720 8.415 ( 0.187 0.000 -0.659) 0.685 8.417 ( 0.155 0.000 -0.664) 0.682 8.524 ( -0.181 0.000 1.290) 1.303 8.530 ( 0.011 0.000 0.956) 0.956 8.556 ( 0.386 0.000 -1.408) 1.460 8.558 ( 0.339 0.000 -1.356) 1.397 8.652 ( -1.362 0.000 0.121) 1.367 8.654 ( -0.780 0.000 -0.224) 0.812 8.656 ( -0.856 0.000 -0.304) 0.908 8.657 ( -1.346 0.000 0.031) 1.346 8.689 ( 0.059 0.000 0.705) 0.708 8.693 ( 0.090 0.000 0.692) 0.698 8.707 ( 0.211 0.000 -0.307) 0.372 8.710 ( 0.191 0.000 -0.249) 0.313 8.715 ( -0.082 0.000 0.918) 0.922 8.727 ( 0.004 0.000 0.892) 0.892 8.734 ( 0.786 0.000 -0.859) 1.164 8.747 ( 0.733 0.000 -0.815) 1.096 8.833 ( 1.140 0.000 0.305) 1.180 8.840 ( 1.323 0.000 -0.265) 1.350 8.849 ( 1.193 0.000 0.225) 1.214 8.855 ( 1.314 0.000 -0.204) 1.330======================= Grid point 35 (19/26) =======================q-point: ( 0.00 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 37Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.231 ( 4.598 1.150 8.693) 9.901 0.244 ( 3.646 -0.389 8.765) 9.501 0.312 ( -1.215 8.002 3.658) 8.882 0.404 ( -3.640 -2.501 -5.311) 6.907 0.423 ( 1.059 4.977 -5.026) 7.153 0.499 ( -2.903 2.736 -7.815) 8.774 0.517 ( -0.724 -4.026 5.797) 7.095 0.569 ( -1.386 -4.924 -3.677) 6.300 0.581 ( -3.594 2.289 21.897) 22.308 0.646 ( 0.016 -5.086 13.045) 14.001 0.734 ( 0.142 0.661 1.646) 1.779 0.745 ( 0.164 -0.449 2.835) 2.875 0.767 ( 0.656 3.286 -1.342) 3.610 0.810 ( 0.501 -1.381 -2.370) 2.789 0.856 ( 0.085 3.623 2.184) 4.231 0.877 ( -0.037 1.503 0.390) 1.554 0.908 ( -0.114 -0.529 0.830) 0.991 0.911 ( -1.599 -1.362 -2.817) 3.514 0.926 ( -0.734 -0.254 1.309) 1.522 0.935 ( 1.753 -2.065 -1.543) 3.118 0.961 ( 1.538 1.189 -3.173) 3.721 0.986 ( 1.192 -1.421 -3.431) 3.901 1.014 ( 1.469 1.308 -5.153) 5.516 1.031 ( 2.429 -0.369 -9.614) 9.923 1.074 ( -1.091 3.563 1.318) 3.953 1.128 ( -0.152 -0.199 -3.202) 3.212 1.135 ( -0.517 -1.114 -1.435) 1.889 1.163 ( -0.547 -1.840 -2.287) 2.986 1.341 ( -0.424 -0.009 3.404) 3.430 1.343 ( 0.225 -0.213 3.465) 3.479 1.377 ( -0.937 1.036 1.909) 2.366 1.396 ( -1.047 -1.022 1.574) 2.149 1.449 ( 1.343 0.866 -0.971) 1.870 1.473 ( 0.788 -1.697 -1.098) 2.169 1.518 ( 0.967 0.717 -4.318) 4.483 1.529 ( 0.606 -0.494 -4.263) 4.334 1.596 ( -1.242 0.511 3.724) 3.959 1.615 ( -1.165 -1.748 3.793) 4.335 1.705 ( 0.152 0.738 -2.915) 3.011 1.713 ( -0.991 -0.020 -0.590) 1.154 1.738 ( 0.079 -0.090 3.632) 3.634 1.744 ( 2.120 -1.221 0.616) 2.523 1.804 ( 0.390 0.092 -2.629) 2.659 1.806 ( 0.429 -0.036 -2.546) 2.582 1.931 ( -0.274 2.365 0.945) 2.561 1.936 ( -0.492 2.499 0.559) 2.608 1.969 ( -0.223 -1.646 1.041) 1.961 1.973 ( -0.489 -1.478 0.675) 1.697 2.304 ( -0.787 0.948 1.444) 1.898 2.319 ( -0.904 -0.627 1.282) 1.690 2.333 ( 0.324 0.619 -0.776) 1.044 2.346 ( 0.251 -0.793 -0.646) 1.053 2.359 ( 0.032 0.085 0.556) 0.563 2.362 ( 0.093 -0.209 0.106) 0.252 2.388 ( 0.526 0.368 -0.588) 0.870 2.391 ( 0.413 0.062 -0.701) 0.816 2.976 ( 0.422 0.154 -2.065) 2.113 2.979 ( 0.265 -0.174 -1.859) 1.886 2.990 ( 0.557 0.502 -2.651) 2.755 3.000 ( 0.711 -0.574 -3.067) 3.200 3.337 ( -0.490 -0.105 3.740) 3.774 3.341 ( -0.504 -0.469 3.607) 3.672 3.399 ( 0.040 -0.222 -2.151) 2.163 3.402 ( 0.031 -0.543 -2.272) 2.336 3.699 ( -0.108 0.591 1.221) 1.361 3.702 ( -0.200 0.252 1.102) 1.149 3.710 ( 0.314 0.585 0.095) 0.670 3.712 ( 0.372 0.484 -0.053) 0.613 3.787 ( -1.138 0.124 5.823) 5.934 3.794 ( -0.728 -0.703 5.567) 5.658 3.820 ( -0.728 0.187 2.549) 2.657 3.825 ( -0.782 -0.243 2.419) 2.553 3.852 ( -0.739 0.887 2.600) 2.845 3.863 ( -0.723 -0.358 2.419) 2.550 3.878 ( -0.062 1.390 -0.770) 1.590 3.900 ( 0.227 -0.833 -1.215) 1.490 3.989 ( -0.741 0.023 -3.165) 3.250 3.990 ( -0.730 -0.057 -3.207) 3.289 4.030 ( 2.518 0.105 -5.992) 6.500 4.033 ( 2.370 -0.191 -6.148) 6.592 4.105 ( 0.247 0.022 0.508) 0.565 4.108 ( 0.098 -0.225 0.644) 0.690 4.123 ( -0.138 0.232 -1.031) 1.066 4.129 ( 0.038 -0.407 -1.182) 1.251 4.265 ( -0.053 0.175 1.077) 1.092 4.268 ( -0.130 -0.112 1.037) 1.051 4.290 ( 0.147 0.105 -0.987) 1.003 4.291 ( 0.216 -0.052 -0.929) 0.955 4.351 ( 0.244 0.162 1.976) 1.998 4.355 ( 0.180 -0.222 1.923) 1.944 4.404 ( -1.044 0.199 -2.745) 2.944 4.408 ( -0.979 -0.219 -2.778) 2.954 4.496 ( -0.432 0.130 0.549) 0.710 4.500 ( -0.243 -0.264 0.432) 0.561 4.501 ( 0.929 0.063 0.261) 0.967 4.503 ( 1.097 -0.116 0.282) 1.138 4.593 ( 1.005 0.156 1.340) 1.683 4.596 ( 1.022 -0.129 1.322) 1.675 4.618 ( -0.501 0.074 -0.744) 0.900 4.619 ( -0.490 -0.050 -0.672) 0.833 4.633 ( -0.405 0.009 1.268) 1.331 4.633 ( -0.469 -0.027 1.271) 1.355 4.660 ( 0.088 0.006 -1.083) 1.087 4.661 ( -0.024 -0.070 -1.130) 1.132 4.962 ( -0.671 0.212 1.567) 1.718 4.966 ( -0.725 -0.231 1.676) 1.841 4.999 ( 0.704 0.215 -1.621) 1.780 5.004 ( 0.750 -0.318 -1.496) 1.703 5.094 ( 0.571 0.205 0.920) 1.102 5.101 ( 0.520 -0.618 0.634) 1.027 5.112 ( -0.633 0.187 -0.947) 1.155 5.115 ( -0.428 -0.102 -0.978) 1.072 5.178 ( -0.256 0.142 1.289) 1.322 5.181 ( -0.027 -0.089 1.432) 1.435 5.197 ( 0.847 0.151 -0.496) 0.993 5.202 ( 0.505 -0.384 -0.318) 0.710 5.228 ( 0.288 0.092 -0.060) 0.308 5.230 ( 0.158 -0.119 -0.104) 0.224 5.234 ( -0.554 0.056 -0.414) 0.693 5.235 ( -0.604 -0.073 -0.366) 0.710 5.338 ( -1.044 0.084 1.795) 2.078 5.340 ( -1.051 -0.160 1.790) 2.081 5.374 ( 0.759 0.118 -1.345) 1.549 5.376 ( 0.773 -0.134 -1.371) 1.579 5.572 ( -0.255 0.028 1.021) 1.053 5.572 ( -0.281 -0.015 0.964) 1.004 5.580 ( 0.294 0.301 0.438) 0.607 5.585 ( 0.281 -0.233 0.191) 0.412 5.611 ( 0.105 0.019 0.142) 0.177 5.612 ( 0.176 -0.028 -0.007) 0.179 5.624 ( -0.120 0.047 -0.800) 0.810 5.625 ( -0.092 -0.034 -0.844) 0.850 5.679 ( 0.484 0.108 0.102) 0.506 5.682 ( 0.299 -0.162 0.036) 0.342 5.684 ( -0.274 0.125 -0.136) 0.331 5.687 ( -0.451 -0.159 -0.474) 0.673 5.796 ( -0.072 0.084 0.413) 0.428 5.797 ( -0.064 -0.105 0.358) 0.379 5.806 ( 0.083 0.048 -0.441) 0.451 5.807 ( 0.072 -0.046 -0.410) 0.419 6.124 ( -0.227 0.033 0.160) 0.280 6.126 ( -0.301 -0.107 0.093) 0.333 6.130 ( 0.097 0.061 -0.207) 0.237 6.131 ( 0.208 -0.011 -0.204) 0.292 6.389 ( 0.448 0.061 0.330) 0.560 6.391 ( 0.434 -0.061 0.354) 0.563 6.398 ( -0.526 0.080 -0.402) 0.667 6.400 ( -0.473 -0.086 -0.412) 0.633 6.466 ( -0.527 0.547 1.715) 1.876 6.477 ( 0.729 0.048 0.289) 0.785 6.478 ( 0.455 -0.079 0.402) 0.613 6.481 ( -0.622 -1.034 0.899) 1.505 6.495 ( 0.428 0.003 -0.167) 0.459 6.497 ( 0.629 -0.310 0.258) 0.747 6.509 ( -0.377 0.205 -1.076) 1.159 6.514 ( -0.213 -0.273 -0.729) 0.807 6.683 ( -0.451 0.161 0.869) 0.992 6.686 ( -0.447 -0.166 0.883) 1.003 6.704 ( 0.447 0.184 -0.890) 1.012 6.707 ( 0.450 -0.184 -0.911) 1.032 6.745 ( 1.455 0.229 0.595) 1.589 6.752 ( 1.840 -0.535 0.596) 2.007 6.755 ( -1.198 0.227 -0.256) 1.246 6.759 ( -1.229 -0.259 -0.178) 1.268 6.862 ( -0.382 0.199 0.735) 0.852 6.866 ( -0.413 -0.180 0.763) 0.886 6.880 ( 0.352 0.356 -0.883) 1.015 6.885 ( 0.391 -0.169 -0.876) 0.974 6.937 ( -0.113 0.004 0.415) 0.430 6.938 ( -0.100 -0.007 0.397) 0.409 6.946 ( 0.079 0.034 -0.373) 0.382 6.947 ( 0.107 -0.031 -0.405) 0.420 7.136 ( -0.191 0.270 0.313) 0.455 7.141 ( -0.198 -0.254 0.318) 0.452 7.144 ( 0.179 0.337 -0.377) 0.536 7.150 ( 0.199 -0.273 -0.411) 0.532 7.198 ( 0.049 0.170 -0.034) 0.180 7.199 ( -0.089 0.211 -0.112) 0.255 7.202 ( -0.030 -0.086 -0.059) 0.108 7.202 ( -0.021 -0.155 -0.065) 0.169 7.394 ( -0.003 0.045 0.038) 0.059 7.394 ( 0.026 0.002 -0.019) 0.032 7.395 ( -0.003 -0.001 -0.004) 0.005 7.396 ( 0.195 -0.067 -0.093) 0.227 7.618 ( -0.376 0.017 0.627) 0.731 7.619 ( -0.474 -0.045 0.643) 0.800 7.632 ( 0.313 0.065 -0.457) 0.557 7.633 ( 0.404 -0.027 -0.465) 0.617 7.799 ( -0.166 0.103 0.370) 0.419 7.801 ( -0.165 -0.105 0.341) 0.393 7.809 ( 0.165 0.063 -0.454) 0.487 7.810 ( 0.163 -0.069 -0.423) 0.459 8.406 ( -0.328 0.035 0.511) 0.608 8.407 ( -0.345 -0.042 0.495) 0.605 8.418 ( 0.297 0.031 -0.492) 0.575 8.418 ( 0.308 -0.029 -0.488) 0.578 8.523 ( -0.529 0.024 1.279) 1.384 8.524 ( -0.366 -0.055 1.299) 1.351 8.553 ( 0.310 0.042 -1.312) 1.349 8.554 ( 0.288 -0.038 -1.278) 1.310 8.641 ( -0.010 -0.046 0.136) 0.144 8.642 ( -0.035 -0.089 0.154) 0.181 8.648 ( 0.290 0.060 -0.482) 0.566 8.649 ( 0.320 -0.061 -0.518) 0.612 8.694 ( -0.123 0.124 0.862) 0.880 8.696 ( -0.136 -0.116 0.838) 0.857 8.709 ( 0.065 0.072 -0.463) 0.473 8.711 ( 0.057 -0.077 -0.411) 0.422 8.721 ( -0.302 0.316 0.993) 1.085 8.727 ( -0.288 -0.349 1.001) 1.098 8.742 ( 0.219 0.313 -0.855) 0.936 8.748 ( 0.198 -0.339 -0.854) 0.940 8.849 ( -0.071 0.439 0.315) 0.545 8.855 ( 0.033 0.127 -0.122) 0.179 8.858 ( -0.016 -0.131 0.112) 0.173 8.864 ( 0.054 -0.354 -0.257) 0.441======================= Grid point 36 (20/26) =======================q-point: ( 0.12 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.345 ( 3.410 6.296 3.972) 8.188 0.446 ( 4.398 0.317 -1.420) 4.632 0.461 ( 5.585 1.138 -1.617) 5.924 0.556 ( 7.175 -4.498 -0.084) 8.469 0.633 ( 11.637 1.705 -4.970) 12.768 0.643 ( 3.582 0.997 15.238) 15.685 0.663 ( 7.299 -0.219 8.440) 11.161 0.679 ( 8.260 -2.556 -2.970) 9.142 0.723 ( 6.239 0.241 5.271) 8.171 0.748 ( 7.244 -1.916 2.153) 7.796 0.771 ( 3.267 0.885 1.313) 3.631 0.772 ( 0.651 0.277 -0.673) 0.977 0.795 ( 9.653 0.137 2.585) 9.994 0.817 ( 8.282 -1.106 1.909) 8.570 0.862 ( 1.167 2.418 -1.079) 2.894 0.872 ( 2.896 1.038 0.937) 3.216 0.887 ( 1.005 0.103 -0.387) 1.082 0.908 ( -0.421 -1.993 0.231) 2.050 0.991 ( 8.281 0.663 -1.122) 8.383 0.999 ( 7.362 -0.113 -0.636) 7.390 1.024 ( 6.639 1.362 -6.602) 9.462 1.040 ( 5.602 -0.281 -5.004) 7.517 1.059 ( 7.470 0.186 -2.877) 8.007 1.064 ( 4.349 0.686 -2.994) 5.324 1.073 ( 4.455 1.537 -0.578) 4.748 1.110 ( 3.107 0.462 -2.685) 4.132 1.127 ( 0.110 -1.976 0.477) 2.035 1.138 ( 0.698 -1.550 0.020) 1.700 1.367 ( 1.140 0.505 2.827) 3.090 1.379 ( 1.316 -0.553 1.636) 2.171 1.399 ( 2.115 0.097 1.899) 2.844 1.404 ( 1.043 -0.462 0.428) 1.219 1.476 ( 1.875 0.535 -0.791) 2.104 1.492 ( 1.583 -1.151 -1.124) 2.258 1.521 ( 1.298 0.171 -3.777) 3.997 1.523 ( 0.938 0.136 -3.845) 3.960 1.592 ( -1.379 0.542 4.130) 4.388 1.614 ( -1.147 -2.076 4.083) 4.722 1.692 ( 0.557 0.403 -0.875) 1.113 1.699 ( 0.343 -0.253 -0.856) 0.956 1.776 ( 2.053 0.401 0.681) 2.200 1.787 ( 1.701 -0.736 -0.530) 1.928 1.798 ( 0.576 0.150 -2.860) 2.921 1.804 ( 1.120 -0.396 -2.125) 2.435 1.936 ( 0.369 2.346 1.008) 2.580 1.946 ( 0.822 2.563 0.991) 2.868 1.975 ( 0.570 -1.668 0.838) 1.952 1.985 ( 0.853 -1.536 1.150) 2.100 2.273 ( -4.074 1.070 1.703) 4.543 2.289 ( -4.309 -0.386 0.365) 4.342 2.302 ( -3.152 0.038 0.424) 3.180 2.311 ( -3.635 -0.713 -0.588) 3.750 2.345 ( -0.920 0.598 0.880) 1.406 2.353 ( -0.736 -0.218 0.613) 0.982 2.418 ( 3.509 0.071 -1.387) 3.774 2.419 ( 3.376 -0.037 -1.275) 3.609 2.975 ( 0.583 0.067 -1.659) 1.760 2.977 ( 0.561 -0.138 -1.624) 1.724 2.989 ( 0.770 0.548 -2.614) 2.780 2.999 ( 0.851 -0.555 -2.973) 3.142 3.338 ( -1.406 -0.122 3.459) 3.736 3.343 ( -1.256 -0.582 3.336) 3.612 3.376 ( -1.123 -0.192 -1.899) 2.215 3.379 ( -0.965 -0.484 -1.878) 2.166 3.705 ( -0.384 0.524 1.180) 1.348 3.705 ( -0.522 0.506 1.125) 1.340 3.724 ( 0.606 0.461 0.125) 0.771 3.725 ( 0.486 0.247 0.130) 0.561 3.803 ( -1.076 0.498 6.894) 6.995 3.814 ( -1.024 -0.691 6.980) 7.089 3.827 ( 0.322 0.030 1.860) 1.888 3.828 ( 0.287 -0.142 1.695) 1.725 3.851 ( -0.774 0.932 2.536) 2.811 3.863 ( -0.548 0.250 0.987) 1.156 3.867 ( -0.591 0.742 0.425) 1.040 3.894 ( -0.568 -1.498 -0.234) 1.620 3.954 ( -0.250 0.033 -4.809) 4.815 3.954 ( -0.244 -0.030 -4.932) 4.938 4.021 ( -4.728 0.050 -1.342) 4.915 4.024 ( -4.323 -0.307 -1.417) 4.560 4.034 ( -5.904 0.507 -1.126) 6.032 4.044 ( -5.536 -0.642 -1.413) 5.749 4.052 ( 0.508 0.070 -2.678) 2.727 4.053 ( 0.801 -0.040 -3.017) 3.122 4.325 ( 3.146 0.140 0.892) 3.273 4.328 ( 3.124 -0.146 0.815) 3.232 4.340 ( 3.748 0.190 -0.801) 3.837 4.343 ( 3.810 -0.154 -0.741) 3.885 4.382 ( 1.522 0.077 2.523) 2.947 4.383 ( 1.335 -0.093 2.491) 2.827 4.392 ( 1.206 0.250 -2.035) 2.378 4.397 ( 1.239 -0.268 -2.055) 2.415 4.483 ( -0.735 0.002 0.273) 0.784 4.484 ( -1.020 -0.045 0.167) 1.035 4.511 ( -0.170 0.090 -0.712) 0.738 4.513 ( -0.239 -0.091 -0.717) 0.761 4.591 ( -1.614 0.041 -0.190) 1.626 4.591 ( -1.574 0.032 -0.288) 1.600 4.592 ( -1.372 -0.005 -0.586) 1.492 4.592 ( -1.965 -0.045 0.455) 2.017 4.639 ( 0.894 0.131 2.154) 2.336 4.642 ( 0.843 -0.158 2.026) 2.200 4.651 ( -0.343 0.074 -1.399) 1.442 4.652 ( -0.335 -0.075 -1.463) 1.503 4.951 ( -1.041 0.115 1.329) 1.692 4.953 ( -1.192 -0.133 1.366) 1.818 4.992 ( -0.344 0.217 -1.442) 1.498 4.997 ( -0.433 -0.237 -1.376) 1.462 5.075 ( -2.305 0.060 -0.593) 2.381 5.077 ( -2.319 -0.090 -0.514) 2.377 5.089 ( -1.724 0.162 0.724) 1.877 5.092 ( -2.017 -0.144 0.559) 2.098 5.168 ( -1.083 0.197 0.430) 1.182 5.172 ( -1.199 -0.251 0.557) 1.345 5.201 ( 0.052 0.021 -0.569) 0.571 5.201 ( 0.104 -0.013 -0.577) 0.586 5.242 ( 1.560 0.108 -0.635) 1.688 5.244 ( 1.523 -0.134 -0.592) 1.640 5.258 ( 2.309 0.086 0.529) 2.371 5.259 ( 2.279 -0.060 0.505) 2.335 5.328 ( -0.814 0.020 1.648) 1.838 5.329 ( -0.925 -0.038 1.695) 1.931 5.377 ( 0.189 0.094 -1.049) 1.070 5.379 ( 0.142 -0.103 -1.068) 1.082 5.585 ( -0.907 0.010 0.932) 1.301 5.585 ( -0.858 -0.027 0.925) 1.263 5.599 ( -1.594 0.014 0.334) 1.629 5.599 ( -1.561 -0.009 0.359) 1.602 5.607 ( 1.453 0.244 0.131) 1.479 5.610 ( 0.414 -0.005 -0.905) 0.995 5.610 ( 0.451 -0.004 -0.960) 1.061 5.612 ( 1.508 -0.155 -0.307) 1.547 5.697 ( 2.284 0.127 -0.376) 2.318 5.701 ( 2.431 -0.270 -0.107) 2.448 5.719 ( 3.724 0.075 -0.013) 3.725 5.720 ( 3.778 -0.071 0.062) 3.779 5.796 ( -0.165 0.071 0.401) 0.439 5.798 ( -0.157 -0.100 0.380) 0.423 5.804 ( -0.049 0.064 -0.412) 0.419 5.805 ( -0.049 -0.043 -0.394) 0.399 6.091 ( -3.158 0.007 0.276) 3.170 6.091 ( -3.125 -0.079 0.293) 3.140 6.101 ( -3.071 0.097 -0.145) 3.076 6.102 ( -3.102 -0.064 -0.113) 3.104 6.317 ( -7.628 0.113 -0.223) 7.632 6.320 ( -7.652 -0.155 -0.260) 7.658 6.335 ( -6.872 0.057 0.217) 6.876 6.336 ( -6.858 -0.050 0.214) 6.862 6.462 ( 0.480 0.059 0.320) 0.580 6.463 ( 0.531 -0.073 0.287) 0.608 6.466 ( 0.642 0.125 -0.316) 0.727 6.468 ( 0.604 -0.130 -0.322) 0.697 6.518 ( 2.521 0.251 1.438) 2.913 6.524 ( 2.099 -0.382 1.236) 2.466 6.542 ( 3.419 0.126 -1.343) 3.676 6.545 ( 3.109 -0.168 -1.085) 3.297 6.662 ( -1.681 0.121 0.738) 1.840 6.665 ( -1.749 -0.130 0.739) 1.903 6.689 ( -1.164 0.147 -0.758) 1.397 6.691 ( -1.212 -0.140 -0.782) 1.449 6.771 ( 1.665 0.071 -0.430) 1.721 6.773 ( 1.487 -0.085 -0.477) 1.564 6.808 ( 2.510 0.183 0.583) 2.583 6.812 ( 2.086 -0.309 0.443) 2.154 6.867 ( 0.523 0.002 0.167) 0.549 6.869 ( 0.271 -0.089 0.272) 0.394 6.880 ( -0.114 0.324 -0.493) 0.601 6.885 ( -0.155 -0.192 -0.548) 0.601 6.941 ( 0.206 0.030 0.453) 0.499 6.941 ( 0.244 -0.033 0.419) 0.486 6.949 ( 0.398 0.064 -0.400) 0.568 6.950 ( 0.436 -0.059 -0.428) 0.614 7.157 ( 0.981 0.183 0.351) 1.058 7.160 ( 0.860 -0.183 0.376) 0.956 7.166 ( 0.938 0.259 -0.362) 1.038 7.170 ( 0.817 -0.205 -0.383) 0.925 7.212 ( 2.128 0.158 -0.008) 2.134 7.215 ( 2.391 0.149 0.041) 2.396 7.216 ( 2.158 -0.154 -0.008) 2.163 7.218 ( 2.429 -0.139 0.056) 2.434 7.337 ( -3.078 0.063 -0.027) 3.079 7.338 ( -2.961 -0.036 -0.057) 2.962 7.340 ( -2.943 0.002 -0.064) 2.944 7.340 ( -2.809 -0.026 -0.080) 2.810 7.689 ( 4.880 0.029 0.363) 4.893 7.690 ( 4.897 -0.055 0.377) 4.912 7.705 ( 4.811 0.146 -0.210) 4.818 7.707 ( 4.826 -0.115 -0.188) 4.831 7.782 ( -1.419 0.059 0.528) 1.516 7.783 ( -1.483 -0.059 0.490) 1.563 7.796 ( -0.709 0.017 -0.591) 0.923 7.796 ( -0.688 -0.040 -0.591) 0.908 8.402 ( -0.323 0.033 0.510) 0.605 8.402 ( -0.319 -0.037 0.510) 0.603 8.421 ( 0.423 0.044 -0.450) 0.620 8.422 ( 0.420 -0.042 -0.450) 0.617 8.524 ( -0.383 0.072 1.353) 1.408 8.526 ( -0.402 -0.073 1.354) 1.414 8.554 ( 0.328 0.009 -1.299) 1.340 8.555 ( 0.321 -0.015 -1.352) 1.390 8.654 ( 1.271 -0.029 -0.174) 1.283 8.654 ( 1.326 -0.027 -0.117) 1.331 8.659 ( 0.996 0.093 -0.360) 1.063 8.660 ( 0.968 -0.084 -0.318) 1.023 8.696 ( 0.068 0.083 0.734) 0.742 8.697 ( -0.037 -0.070 0.769) 0.774 8.704 ( -0.276 0.090 -0.463) 0.547 8.706 ( -0.272 -0.080 -0.427) 0.513 8.716 ( -0.705 0.312 0.953) 1.226 8.722 ( -0.719 -0.372 0.986) 1.275 8.737 ( -0.224 0.293 -0.774) 0.857 8.743 ( -0.250 -0.312 -0.782) 0.878 8.838 ( -1.275 0.436 0.291) 1.379 8.843 ( -1.206 0.269 -0.201) 1.252 8.846 ( -1.285 -0.279 0.187) 1.328 8.851 ( -1.228 -0.349 -0.243) 1.299======================= Grid point 37 (21/26) =======================q-point: ( 0.25 0.33 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 37Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.475 ( 7.755 3.143 2.047) 8.614 0.548 ( 6.013 -2.777 1.372) 6.764 0.582 ( 7.520 4.199 -0.707) 8.642 0.672 ( 5.029 -3.923 -0.826) 6.431 0.709 ( 0.251 1.172 -0.406) 1.266 0.716 ( 1.075 0.801 -0.612) 1.474 0.728 ( -0.845 -0.522 -0.413) 1.076 0.736 ( -0.323 -0.654 -0.494) 0.881 0.759 ( -0.437 0.883 0.116) 0.992 0.774 ( 2.464 0.071 3.678) 4.427 0.783 ( 1.691 -0.352 3.247) 3.677 0.795 ( 0.583 -0.871 4.214) 4.342 0.863 ( -0.313 0.197 3.577) 3.596 0.872 ( 2.407 -0.978 4.951) 5.591 0.912 ( 5.576 0.488 -4.358) 7.094 0.924 ( 6.549 -0.831 -4.872) 8.204 1.045 ( 0.870 3.402 2.213) 4.150 1.054 ( 2.169 1.418 0.513) 2.641 1.080 ( 1.587 0.199 0.083) 1.602 1.096 ( 5.271 0.730 2.651) 5.945 1.126 ( 7.212 -0.490 1.546) 7.392 1.138 ( 3.927 -2.582 -0.233) 4.706 1.168 ( 7.917 0.406 -1.774) 8.123 1.187 ( 6.372 -1.337 -2.244) 6.887 1.262 ( 9.529 1.295 -6.696) 11.718 1.284 ( 9.258 -0.714 -3.382) 9.882 1.288 ( 9.584 0.451 -2.659) 9.956 1.303 ( 10.664 -0.808 0.646) 10.714 1.399 ( 0.399 -0.318 0.001) 0.510 1.404 ( 0.544 -0.942 -0.148) 1.098 1.463 ( 1.419 0.912 0.339) 1.720 1.473 ( -1.497 -0.046 -1.295) 1.980 1.486 ( 5.821 0.967 1.384) 6.061 1.509 ( 3.263 -1.455 1.406) 3.839 1.546 ( 3.006 0.725 -0.203) 3.099 1.553 ( 2.827 0.011 -0.604) 2.891 1.605 ( 1.739 -0.011 4.642) 4.957 1.623 ( 0.118 -2.129 4.914) 5.357 1.740 ( 5.546 0.651 -3.512) 6.597 1.748 ( 6.149 -0.384 -3.023) 6.863 1.803 ( 2.752 0.234 -2.045) 3.436 1.807 ( 3.371 -0.201 -1.621) 3.746 1.847 ( 6.453 0.596 0.279) 6.486 1.860 ( 5.848 -0.873 -0.275) 5.920 1.953 ( 0.617 2.206 1.228) 2.599 1.973 ( 1.482 2.027 1.061) 2.726 1.999 ( 1.309 -1.656 0.971) 2.324 2.013 ( 1.519 -1.340 1.036) 2.275 2.177 ( -5.994 1.080 1.904) 6.382 2.190 ( -5.179 -0.028 -0.093) 5.180 2.210 ( -5.578 -0.119 0.618) 5.613 2.217 ( -5.045 -0.488 -0.386) 5.083 2.347 ( -0.597 0.381 1.562) 1.715 2.354 ( -0.565 -0.371 1.401) 1.556 2.461 ( 0.879 0.072 -2.096) 2.275 2.462 ( 0.959 -0.055 -2.074) 2.286 2.979 ( 0.644 0.065 -1.421) 1.561 2.981 ( 0.672 -0.142 -1.510) 1.659 2.990 ( 0.863 0.528 -2.720) 2.902 2.999 ( 0.912 -0.478 -3.119) 3.285 3.324 ( -1.699 -0.013 2.681) 3.174 3.331 ( -1.526 -0.773 2.521) 3.046 3.347 ( -0.782 -0.075 -1.281) 1.503 3.352 ( -0.740 -0.534 -1.475) 1.734 3.673 ( -3.974 0.774 2.424) 4.719 3.676 ( -3.814 0.411 2.137) 4.391 3.716 ( -1.715 0.666 -0.185) 1.849 3.719 ( -1.318 0.208 0.026) 1.335 3.803 ( -3.689 0.679 7.030) 7.968 3.807 ( -3.864 0.431 6.796) 7.830 3.839 ( -0.239 0.311 0.869) 0.954 3.850 ( -1.311 -1.005 0.107) 1.655 3.853 ( -1.019 -0.089 1.020) 1.445 3.859 ( -0.380 -0.184 0.763) 0.873 3.871 ( 2.536 -0.061 0.748) 2.644 3.873 ( 1.658 -0.443 1.276) 2.138 3.935 ( -2.212 0.356 -0.728) 2.355 3.943 ( -0.472 -0.309 -2.135) 2.208 3.943 ( 0.372 -0.104 -3.159) 3.183 3.945 ( 1.490 -0.145 -3.670) 3.964 3.966 ( -0.000 -0.038 -0.985) 0.986 3.967 ( -0.790 -0.144 -1.302) 1.529 4.065 ( 1.902 0.091 -3.395) 3.893 4.067 ( 1.996 -0.134 -3.452) 3.990 4.325 ( -4.080 0.045 1.195) 4.252 4.326 ( -4.059 -0.064 1.223) 4.240 4.392 ( 1.135 0.226 -0.615) 1.311 4.396 ( 1.008 -0.192 -0.510) 1.146 4.429 ( 3.785 0.163 -1.164) 3.964 4.431 ( 3.471 -0.042 0.142) 3.474 4.436 ( 3.590 -0.010 -0.643) 3.647 4.437 ( 3.489 -0.133 0.554) 3.535 4.475 ( -1.598 0.048 -1.348) 2.091 4.476 ( -1.498 -0.072 -1.310) 1.991 4.510 ( 3.299 0.204 1.533) 3.644 4.513 ( 3.281 -0.153 1.545) 3.630 4.571 ( -0.043 0.111 0.941) 0.948 4.573 ( -0.053 -0.123 0.904) 0.914 4.580 ( 0.614 0.115 -0.482) 0.789 4.582 ( 0.752 -0.092 -0.503) 0.909 4.630 ( -0.562 0.122 -2.027) 2.107 4.632 ( -0.508 -0.157 -2.009) 2.079 4.667 ( 0.513 0.068 1.386) 1.479 4.668 ( 0.487 -0.024 1.380) 1.464 4.945 ( -0.265 -0.006 1.155) 1.185 4.945 ( -0.240 0.000 1.182) 1.206 4.976 ( -0.586 0.196 -0.915) 1.104 4.980 ( -0.585 -0.199 -0.904) 1.095 5.020 ( -3.216 0.077 -0.076) 3.218 5.022 ( -3.164 -0.123 -0.091) 3.168 5.045 ( -2.866 0.088 -0.196) 2.874 5.046 ( -2.788 -0.012 -0.163) 2.792 5.155 ( -0.267 0.085 -0.045) 0.284 5.157 ( -0.390 -0.120 -0.029) 0.409 5.199 ( -0.070 0.035 -0.534) 0.540 5.199 ( -0.086 -0.021 -0.534) 0.541 5.267 ( 0.995 0.027 -0.070) 0.997 5.268 ( 0.860 -0.038 -0.033) 0.862 5.306 ( 2.053 0.065 0.546) 2.126 5.307 ( 2.030 -0.051 0.573) 2.110 5.329 ( 0.176 0.108 1.240) 1.258 5.331 ( 0.315 -0.115 1.147) 1.195 5.370 ( -0.291 0.037 -0.847) 0.897 5.371 ( -0.345 -0.036 -0.833) 0.902 5.531 ( -4.189 0.128 0.437) 4.213 5.533 ( -3.938 -0.146 0.403) 3.962 5.551 ( -3.329 0.057 -0.451) 3.360 5.552 ( -3.333 -0.049 -0.389) 3.356 5.625 ( 0.708 0.023 -0.099) 0.716 5.626 ( 0.782 -0.093 -0.256) 0.828 5.632 ( 0.864 0.198 0.253) 0.922 5.635 ( 0.872 -0.126 -0.018) 0.881 5.739 ( -0.030 0.279 -0.900) 0.943 5.745 ( -0.063 -0.323 -0.821) 0.885 5.794 ( 0.403 0.065 0.305) 0.509 5.795 ( 1.013 0.021 0.503) 1.131 5.796 ( 0.940 0.004 0.515) 1.071 5.797 ( 0.067 -0.101 0.417) 0.434 5.799 ( 0.040 0.051 -0.164) 0.176 5.800 ( -0.047 -0.036 -0.244) 0.251 6.024 ( -2.615 0.017 -0.839) 2.747 6.024 ( -2.654 -0.027 -0.828) 2.781 6.031 ( -1.530 0.044 0.808) 1.731 6.032 ( -1.513 -0.038 0.809) 1.716 6.178 ( -5.487 0.038 0.515) 5.511 6.179 ( -5.595 -0.041 0.514) 5.619 6.207 ( -4.717 0.030 -0.423) 4.736 6.208 ( -4.764 -0.028 -0.423) 4.783 6.490 ( 1.397 0.055 0.040) 1.398 6.490 ( 1.378 0.017 0.090) 1.381 6.491 ( 1.352 0.012 0.135) 1.359 6.493 ( 1.410 -0.089 -0.210) 1.428 6.548 ( -1.440 0.021 0.609) 1.564 6.549 ( -1.321 -0.026 0.677) 1.485 6.576 ( -0.887 0.017 -0.555) 1.046 6.576 ( -0.937 -0.020 -0.448) 1.038 6.652 ( 0.550 0.025 0.616) 0.826 6.652 ( 0.468 -0.044 0.608) 0.768 6.671 ( 0.269 0.113 -0.686) 0.746 6.673 ( 0.244 -0.095 -0.695) 0.743 6.783 ( 0.327 0.009 -0.297) 0.442 6.783 ( 0.300 -0.012 -0.228) 0.377 6.829 ( -0.013 0.061 0.688) 0.691 6.830 ( 0.088 -0.055 0.720) 0.728 6.859 ( -1.082 0.003 -0.225) 1.105 6.860 ( -1.062 -0.053 -0.277) 1.099 6.864 ( -1.072 0.232 -0.428) 1.177 6.868 ( -0.952 -0.189 -0.506) 1.095 6.952 ( 0.579 0.051 0.460) 0.741 6.953 ( 0.613 -0.054 0.407) 0.737 6.958 ( 0.714 0.077 -0.417) 0.831 6.959 ( 0.724 -0.071 -0.470) 0.866 7.153 ( -1.211 0.191 -0.371) 1.281 7.155 ( -0.545 0.157 0.355) 0.669 7.156 ( -1.162 -0.189 -0.338) 1.225 7.158 ( -0.518 -0.155 0.341) 0.639 7.285 ( 4.647 0.145 0.058) 4.649 7.288 ( 4.589 -0.153 0.046) 4.592 7.293 ( 4.775 0.144 -0.059) 4.777 7.296 ( 4.705 -0.132 -0.061) 4.708 7.342 ( 3.197 0.010 0.277) 3.209 7.342 ( 3.157 -0.022 0.278) 3.169 7.343 ( 3.041 0.038 -0.294) 3.055 7.344 ( 3.039 -0.026 -0.306) 3.055 7.700 ( -3.153 0.033 -0.121) 3.155 7.701 ( -3.138 -0.040 -0.107) 3.140 7.714 ( -2.979 0.109 0.113) 2.983 7.716 ( -2.925 -0.113 0.098) 2.929 7.816 ( 3.618 0.029 0.948) 3.740 7.817 ( 3.640 -0.032 0.976) 3.769 7.834 ( 4.024 0.116 -0.885) 4.122 7.836 ( 4.051 -0.112 -0.916) 4.155 8.402 ( 0.116 0.037 0.659) 0.670 8.403 ( 0.113 -0.039 0.679) 0.689 8.431 ( 0.829 0.025 -0.538) 0.988 8.431 ( 0.813 -0.025 -0.559) 0.986 8.517 ( -1.107 0.060 1.262) 1.680 8.518 ( -1.118 -0.062 1.271) 1.694 8.544 ( -0.608 0.010 -1.400) 1.526 8.545 ( -0.578 -0.015 -1.441) 1.552 8.670 ( 0.005 0.037 0.378) 0.380 8.670 ( 0.117 -0.025 0.371) 0.390 8.682 ( 1.511 0.099 -0.481) 1.589 8.684 ( 1.609 -0.115 -0.414) 1.665 8.696 ( -0.095 0.097 -0.377) 0.401 8.698 ( -0.057 -0.118 -0.313) 0.339 8.705 ( -0.527 0.365 0.730) 0.972 8.712 ( -0.446 -0.378 0.725) 0.931 8.717 ( 1.461 0.094 0.184) 1.475 8.719 ( 1.451 -0.129 0.230) 1.475 8.730 ( 0.064 0.245 -0.426) 0.496 8.735 ( -0.027 -0.246 -0.463) 0.525 8.806 ( -2.097 0.396 0.206) 2.144 8.809 ( -2.084 0.395 -0.177) 2.129 8.813 ( -2.142 -0.384 0.177) 2.183 8.816 ( -2.122 -0.324 -0.169) 2.153======================= Grid point 38 (22/26) =======================q-point: ( 0.38 0.33 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 2.810 0.313 0.725) 2.919 0.621 ( 0.114 -1.566 0.417) 1.624 0.675 ( 1.031 2.456 -0.452) 2.702 0.696 ( -0.765 0.234 -0.709) 1.069 0.702 ( -0.606 -0.034 -0.032) 0.608 0.708 ( -0.008 -0.947 0.049) 0.949 0.735 ( -0.665 0.721 -0.151) 0.993 0.747 ( -1.270 -0.502 -0.340) 1.407 0.789 ( 6.599 0.666 3.332) 7.422 0.800 ( 6.167 -0.482 2.917) 6.839 0.868 ( 8.221 2.542 -4.234) 9.590 0.919 ( 9.759 -2.430 -2.400) 10.339 0.964 ( 4.328 0.131 7.665) 8.804 0.968 ( 2.834 -0.679 4.178) 5.093 1.035 ( 5.854 0.888 -2.073) 6.273 1.044 ( 7.522 -0.290 -2.337) 7.882 1.071 ( -1.126 1.490 2.951) 3.492 1.088 ( 0.770 1.477 3.166) 3.577 1.105 ( 1.061 -0.579 0.899) 1.507 1.145 ( -1.079 -3.280 1.252) 3.673 1.183 ( 1.633 2.419 1.732) 3.394 1.224 ( 1.975 -1.878 1.592) 3.156 1.273 ( 0.726 1.845 -2.654) 3.313 1.298 ( 4.445 -1.047 -2.208) 5.073 1.326 ( 1.941 -0.131 -4.631) 5.022 1.332 ( -0.485 -0.787 -3.551) 3.669 1.360 ( 1.935 0.526 -2.991) 3.601 1.380 ( 1.276 -0.796 -1.087) 1.856 1.400 ( 1.218 0.382 -2.448) 2.761 1.412 ( 0.442 -0.191 -1.227) 1.318 1.416 ( -1.845 0.340 -1.773) 2.581 1.420 ( 0.169 -0.174 -1.445) 1.465 1.552 ( -0.585 0.441 1.010) 1.248 1.557 ( -0.960 -0.032 -0.202) 0.981 1.587 ( 1.395 -0.079 0.694) 1.560 1.589 ( 2.038 -0.375 0.568) 2.149 1.665 ( 0.309 0.104 5.577) 5.586 1.680 ( 1.094 -1.637 6.225) 6.529 1.801 ( 2.827 0.274 -3.564) 4.557 1.812 ( 1.585 -1.099 -1.722) 2.586 1.868 ( 1.839 1.763 -0.119) 2.550 1.887 ( 1.085 -0.311 1.601) 1.959 1.953 ( -0.958 2.371 0.017) 2.558 1.990 ( -1.375 -1.558 -0.068) 2.079 2.047 ( 9.525 0.122 0.271) 9.529 2.053 ( 9.743 -0.542 0.020) 9.758 2.079 ( 7.448 0.954 -0.122) 7.510 2.090 ( 4.281 0.188 0.307) 4.297 2.107 ( 1.268 0.465 0.916) 1.632 2.128 ( -1.317 -1.090 1.107) 2.037 2.136 ( 0.543 0.856 0.007) 1.014 2.153 ( 0.179 -0.808 0.008) 0.827 2.324 ( -2.901 0.375 2.020) 3.555 2.331 ( -2.846 -0.390 1.842) 3.413 2.409 ( -4.699 0.128 -2.856) 5.501 2.411 ( -4.692 -0.117 -2.797) 5.464 2.983 ( 0.548 0.119 -1.515) 1.615 2.985 ( 0.609 -0.160 -1.468) 1.597 2.993 ( 1.167 0.486 -2.942) 3.202 3.002 ( 1.262 -0.440 -3.285) 3.547 3.307 ( -1.465 0.045 2.393) 2.807 3.316 ( -1.338 -0.911 2.161) 2.700 3.335 ( 0.197 -0.162 -1.344) 1.368 3.339 ( 0.218 -0.560 -1.402) 1.526 3.600 ( -4.411 0.752 3.311) 5.566 3.604 ( -4.311 0.408 2.901) 5.212 3.659 ( -2.696 1.131 -1.962) 3.521 3.667 ( -2.584 0.202 -2.399) 3.532 3.784 ( -2.099 -0.007 8.096) 8.363 3.787 ( -1.757 -0.353 7.108) 7.330 3.830 ( -0.689 0.384 0.637) 1.014 3.831 ( -0.847 0.398 0.540) 1.080 3.839 ( -1.252 0.059 0.748) 1.459 3.848 ( -0.722 -1.003 1.736) 2.130 3.909 ( -0.248 0.492 0.703) 0.893 3.917 ( -0.157 -0.219 0.218) 0.347 3.939 ( 0.267 0.404 -0.906) 1.027 3.947 ( 3.526 -0.435 -1.957) 4.056 3.960 ( 3.134 -0.344 -1.935) 3.699 3.962 ( 2.538 -0.443 -1.659) 3.064 4.005 ( 4.892 0.069 -3.225) 5.860 4.007 ( 4.978 -0.073 -3.183) 5.909 4.090 ( 2.168 0.168 -1.589) 2.694 4.093 ( 2.223 -0.198 -1.759) 2.842 4.229 ( -5.554 0.089 1.218) 5.687 4.231 ( -5.544 -0.104 1.258) 5.686 4.337 ( -4.438 0.104 -1.112) 4.576 4.339 ( -4.476 -0.096 -1.098) 4.610 4.496 ( 3.260 0.172 -0.670) 3.333 4.498 ( 3.240 -0.109 -0.478) 3.277 4.514 ( 3.785 0.239 1.146) 3.962 4.518 ( 3.585 -0.173 1.092) 3.752 4.523 ( 4.263 0.107 -0.349) 4.279 4.526 ( 4.501 -0.155 -0.556) 4.538 4.566 ( 1.548 0.145 -0.220) 1.570 4.569 ( 2.029 -0.140 -0.106) 2.036 4.599 ( 3.813 0.030 0.513) 3.848 4.600 ( 4.028 -0.048 0.443) 4.053 4.606 ( -0.711 0.189 -1.793) 1.938 4.610 ( -0.723 -0.199 -1.849) 1.995 4.649 ( 6.948 0.025 0.888) 7.004 4.650 ( 6.864 -0.013 0.914) 6.925 4.668 ( -0.976 0.224 0.462) 1.103 4.671 ( -0.804 -0.183 0.513) 0.971 4.938 ( -4.034 -0.018 0.954) 4.145 4.939 ( -4.289 -0.130 0.758) 4.358 4.946 ( -3.927 0.143 0.115) 3.931 4.947 ( -4.185 0.003 -0.057) 4.186 4.959 ( -0.972 0.155 0.424) 1.071 4.962 ( -1.298 -0.175 0.393) 1.367 4.988 ( -1.551 0.052 -1.479) 2.144 4.989 ( -1.416 -0.051 -1.435) 2.017 5.156 ( 0.329 0.018 0.031) 0.331 5.156 ( 0.312 -0.023 0.031) 0.314 5.189 ( -0.742 0.031 -0.411) 0.849 5.189 ( -0.718 -0.014 -0.410) 0.827 5.274 ( -0.245 0.102 0.490) 0.557 5.276 ( -0.108 -0.097 0.577) 0.595 5.326 ( -0.799 0.061 0.241) 0.837 5.327 ( -0.584 -0.053 0.191) 0.617 5.340 ( -0.017 0.094 0.707) 0.714 5.342 ( -0.259 -0.090 0.788) 0.834 5.359 ( -0.311 0.063 -0.682) 0.752 5.360 ( -0.234 -0.073 -0.695) 0.737 5.443 ( -4.385 0.304 0.790) 4.466 5.449 ( -4.524 -0.318 0.777) 4.602 5.470 ( -4.078 0.044 -0.995) 4.198 5.470 ( -4.072 -0.045 -0.938) 4.179 5.630 ( -0.491 0.040 0.075) 0.498 5.631 ( -0.507 -0.083 -0.099) 0.523 5.644 ( 0.170 0.102 0.101) 0.222 5.645 ( 0.172 -0.079 -0.132) 0.231 5.676 ( -3.111 0.072 -0.310) 3.128 5.678 ( -3.441 -0.078 -0.259) 3.452 5.722 ( -5.539 0.054 0.116) 5.540 5.723 ( -5.535 -0.047 0.117) 5.537 5.794 ( -0.282 0.040 0.156) 0.325 5.795 ( -0.249 -0.086 0.042) 0.266 5.796 ( -0.237 0.068 -0.160) 0.294 5.797 ( -0.289 -0.024 -0.039) 0.293 6.072 ( 5.273 0.045 -1.226) 5.414 6.073 ( 5.304 -0.046 -1.242) 5.447 6.105 ( 7.461 0.057 1.042) 7.534 6.106 ( 7.415 -0.057 1.054) 7.490 6.115 ( -1.938 0.028 0.652) 2.045 6.115 ( -1.938 -0.027 0.632) 2.039 6.166 ( 1.409 0.012 -0.536) 1.508 6.166 ( 1.402 -0.011 -0.515) 1.493 6.453 ( -7.530 0.055 0.379) 7.540 6.453 ( -7.446 -0.051 0.405) 7.457 6.485 ( -7.305 -0.001 -0.137) 7.306 6.485 ( -7.188 0.003 -0.090) 7.189 6.504 ( -0.539 0.054 0.475) 0.720 6.505 ( -0.643 -0.062 0.502) 0.818 6.511 ( 0.166 0.062 -0.354) 0.395 6.512 ( 0.221 -0.065 -0.387) 0.451 6.674 ( 1.254 0.005 0.574) 1.379 6.674 ( 1.247 -0.017 0.580) 1.375 6.688 ( 1.459 0.076 -0.602) 1.580 6.690 ( 1.417 -0.065 -0.608) 1.544 6.810 ( 2.192 0.018 -0.090) 2.194 6.811 ( 2.214 -0.019 -0.089) 2.216 6.830 ( -0.386 0.119 0.778) 0.877 6.832 ( -0.396 -0.121 0.841) 0.937 6.848 ( -0.216 0.219 -0.567) 0.645 6.850 ( 0.349 -0.024 -0.287) 0.452 6.851 ( 0.253 0.029 -0.361) 0.442 6.854 ( -0.281 -0.215 -0.655) 0.745 6.962 ( 0.250 0.068 0.415) 0.489 6.964 ( 0.277 -0.069 0.351) 0.452 6.968 ( 0.530 0.064 -0.344) 0.635 6.969 ( 0.534 -0.059 -0.415) 0.679 7.137 ( -0.309 0.243 -0.026) 0.394 7.141 ( -0.272 -0.251 -0.029) 0.371 7.150 ( -0.173 0.183 -0.074) 0.262 7.154 ( -0.144 -0.183 -0.076) 0.245 7.365 ( 3.147 0.099 0.182) 3.154 7.366 ( 3.116 -0.100 0.166) 3.122 7.372 ( 3.154 0.078 -0.191) 3.161 7.373 ( 3.114 -0.074 -0.183) 3.120 7.427 ( 5.380 0.069 -0.445) 5.399 7.428 ( 5.429 -0.070 -0.469) 5.450 7.433 ( 5.482 0.034 0.479) 5.503 7.434 ( 5.516 -0.035 0.499) 5.539 7.623 ( -4.632 0.061 -0.041) 4.632 7.624 ( -4.624 -0.063 -0.017) 4.624 7.641 ( -4.421 0.155 0.034) 4.424 7.644 ( -4.398 -0.155 0.011) 4.401 7.873 ( 1.632 0.043 0.824) 1.829 7.874 ( 1.631 -0.048 0.854) 1.842 7.889 ( 2.076 0.107 -0.788) 2.223 7.891 ( 2.061 -0.100 -0.815) 2.219 8.413 ( 0.443 0.042 0.962) 1.060 8.414 ( 0.446 -0.044 0.977) 1.075 8.446 ( 1.089 0.015 -0.810) 1.357 8.446 ( 1.100 -0.016 -0.808) 1.365 8.499 ( -1.347 0.049 1.005) 1.681 8.500 ( -1.363 -0.049 1.013) 1.699 8.520 ( -1.042 0.031 -1.278) 1.649 8.520 ( -1.025 -0.030 -1.281) 1.641 8.674 ( 0.292 0.079 0.622) 0.691 8.676 ( 0.226 -0.060 0.728) 0.764 8.695 ( 0.483 0.057 -0.235) 0.540 8.696 ( 0.385 -0.051 -0.097) 0.400 8.701 ( 0.072 0.187 0.169) 0.262 8.704 ( 0.543 0.168 -0.653) 0.865 8.705 ( 0.015 -0.238 0.141) 0.277 8.709 ( 0.631 -0.259 -0.579) 0.895 8.736 ( 0.319 0.110 0.083) 0.347 8.738 ( 0.176 -0.076 0.052) 0.199 8.747 ( 1.104 0.155 -0.028) 1.115 8.750 ( 1.126 -0.158 -0.028) 1.137 8.765 ( -1.935 0.358 -0.149) 1.973 8.769 ( -1.849 0.269 0.175) 1.877 8.772 ( -1.851 -0.292 -0.093) 1.876 8.775 ( -1.882 -0.245 0.167) 1.906======================= Grid point 39 (23/26) =======================q-point: (-0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 37Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -0.045 0.024 1.583) 1.584 0.626 ( 0.568 -0.665 1.685) 1.898 0.670 ( 0.473 0.565 -1.944) 2.079 0.677 ( -0.015 -0.269 -1.821) 1.841 0.705 ( 0.368 0.285 0.221) 0.516 0.709 ( 0.046 -0.243 0.126) 0.277 0.721 ( -0.370 0.358 -0.410) 0.658 0.726 ( -0.492 -0.259 -0.486) 0.738 0.929 ( 1.383 1.882 2.221) 3.223 0.936 ( -4.247 2.977 2.069) 5.584 0.953 ( 0.566 -0.450 1.616) 1.771 0.977 ( -1.366 -0.961 -0.492) 1.741 1.014 ( 1.174 0.740 3.235) 3.520 1.035 ( -4.780 -2.015 3.542) 6.281 1.057 ( -2.878 0.562 5.075) 5.861 1.062 ( -1.270 0.320 4.294) 4.489 1.096 ( 1.209 0.035 0.925) 1.523 1.124 ( 0.633 -2.754 -2.104) 3.523 1.141 ( 3.310 -0.350 -1.273) 3.564 1.145 ( 5.999 -0.901 -3.136) 6.829 1.195 ( -3.169 2.960 -0.357) 4.351 1.224 ( 0.126 1.804 -1.356) 2.261 1.246 ( -4.390 -0.670 0.063) 4.442 1.279 ( 1.177 -2.472 -0.039) 2.739 1.312 ( 1.458 -0.129 -1.231) 1.912 1.314 ( 1.019 -0.705 -1.078) 1.642 1.364 ( -0.949 1.283 -0.968) 1.866 1.373 ( -0.381 1.041 -2.112) 2.385 1.387 ( -0.671 -0.260 -1.887) 2.020 1.407 ( 0.310 -1.622 -3.030) 3.451 1.445 ( 2.003 0.925 -5.093) 5.550 1.457 ( 3.378 -0.413 -4.876) 5.946 1.563 ( 1.622 0.122 0.904) 1.861 1.568 ( 1.507 -0.468 0.848) 1.791 1.587 ( -0.840 0.130 -0.787) 1.158 1.592 ( -1.060 -0.463 -1.103) 1.598 1.681 ( -2.656 1.312 7.505) 8.069 1.713 ( -2.315 -2.303 7.015) 7.738 1.817 ( 0.677 -0.426 -1.285) 1.513 1.819 ( 0.761 -0.623 0.102) 0.989 1.891 ( -0.162 1.164 -0.464) 1.263 1.895 ( 0.927 0.784 1.143) 1.667 1.929 ( 0.069 1.991 -0.951) 2.208 1.957 ( 0.105 -1.123 -1.380) 1.783 2.085 ( -0.380 1.038 1.176) 1.614 2.099 ( 0.541 0.831 0.155) 1.004 2.107 ( -0.532 -1.092 0.765) 1.435 2.117 ( 0.790 -0.939 0.077) 1.230 2.223 ( 4.073 0.213 1.081) 4.219 2.227 ( 0.348 -0.223 0.568) 0.702 2.235 ( 0.432 0.118 0.865) 0.974 2.238 ( -0.691 -0.106 0.584) 0.911 2.255 ( -4.561 0.327 0.382) 4.589 2.262 ( -4.594 -0.374 0.704) 4.663 2.306 ( 1.653 0.152 -3.018) 3.444 2.309 ( 2.095 -0.153 -2.780) 3.484 2.982 ( 0.370 0.210 -1.971) 2.016 2.986 ( 0.371 -0.203 -1.834) 1.882 3.002 ( 1.378 0.468 -3.026) 3.358 3.011 ( 1.448 -0.460 -3.272) 3.608 3.294 ( -1.250 0.042 2.529) 2.822 3.304 ( -1.158 -0.968 2.190) 2.660 3.337 ( 0.699 -0.142 -1.405) 1.576 3.342 ( 0.807 -0.672 -1.353) 1.712 3.563 ( -1.238 0.728 3.692) 3.962 3.566 ( -1.124 0.418 3.237) 3.452 3.623 ( 0.433 1.065 -1.909) 2.228 3.631 ( 0.427 0.306 -2.274) 2.334 3.792 ( -1.845 -0.112 7.435) 7.662 3.796 ( -1.429 -0.509 6.134) 6.318 3.822 ( -0.125 0.241 0.064) 0.279 3.823 ( -0.275 0.161 0.706) 0.774 3.829 ( -0.580 0.709 1.710) 1.940 3.844 ( -0.855 -1.006 2.274) 2.629 3.906 ( -0.239 0.520 0.268) 0.632 3.914 ( -0.130 -0.290 -0.257) 0.409 3.935 ( -0.020 0.821 -0.783) 1.135 3.952 ( -0.261 -1.068 -0.381) 1.164 4.002 ( 1.495 0.038 -3.327) 3.648 4.007 ( 1.956 -0.436 -4.458) 4.888 4.081 ( -3.370 0.110 -2.322) 4.094 4.083 ( -2.230 -0.151 -2.662) 3.476 4.086 ( 2.945 0.078 -1.677) 3.390 4.087 ( 3.629 -0.118 -1.425) 3.901 4.198 ( 2.509 0.059 3.103) 3.991 4.199 ( 2.492 -0.062 3.150) 4.018 4.258 ( -1.933 0.079 -2.130) 2.877 4.260 ( -1.956 -0.076 -2.119) 2.885 4.540 ( -1.366 0.146 0.252) 1.397 4.542 ( -1.066 -0.084 0.241) 1.096 4.545 ( 0.995 0.049 0.189) 1.014 4.545 ( 0.835 -0.026 0.325) 0.896 4.554 ( 0.763 0.263 0.383) 0.893 4.558 ( 0.744 -0.238 0.453) 0.903 4.576 ( -0.681 0.317 -1.181) 1.399 4.582 ( -0.925 -0.281 -1.317) 1.634 4.618 ( 2.537 0.250 0.618) 2.623 4.623 ( 2.518 -0.267 0.771) 2.647 4.632 ( -2.847 0.419 -0.406) 2.906 4.640 ( -2.633 -0.382 -0.540) 2.715 4.762 ( 10.234 0.070 0.339) 10.240 4.763 ( 10.226 -0.086 0.226) 10.229 4.782 ( -10.246 0.022 -1.255) 10.323 4.783 ( -10.045 -0.054 -1.260) 10.124 4.810 ( -8.439 0.101 1.068) 8.507 4.812 ( -7.951 -0.124 1.011) 8.016 4.821 ( 8.356 0.107 0.165) 8.358 4.823 ( 8.509 -0.048 0.134) 8.510 4.961 ( -0.146 0.077 0.614) 0.636 4.962 ( -0.120 -0.100 0.617) 0.636 4.977 ( 0.284 0.094 -0.787) 0.842 4.979 ( 0.219 -0.110 -0.808) 0.845 5.165 ( 0.432 0.036 0.383) 0.579 5.166 ( 0.435 -0.028 0.397) 0.590 5.173 ( -0.490 0.050 -0.251) 0.553 5.174 ( -0.506 -0.027 -0.281) 0.580 5.277 ( 1.232 0.267 0.348) 1.307 5.282 ( 1.146 -0.237 0.534) 1.287 5.291 ( -0.985 0.291 -0.690) 1.237 5.296 ( -0.947 -0.288 -0.627) 1.171 5.333 ( -0.388 0.147 1.271) 1.337 5.337 ( -0.216 -0.182 0.998) 1.037 5.354 ( 0.197 0.109 -0.640) 0.679 5.356 ( 0.230 -0.115 -0.678) 0.725 5.407 ( -0.453 0.063 0.796) 0.918 5.409 ( -0.208 -0.084 0.736) 0.770 5.428 ( 0.270 0.030 -0.923) 0.962 5.428 ( 0.102 -0.025 -0.905) 0.911 5.621 ( 0.695 0.055 0.667) 0.964 5.622 ( 0.785 -0.060 0.623) 1.004 5.635 ( -0.589 0.021 -0.448) 0.740 5.636 ( -0.530 -0.061 -0.582) 0.789 5.657 ( 0.190 0.089 0.255) 0.330 5.659 ( 0.203 -0.122 0.087) 0.253 5.666 ( -0.404 0.111 -0.429) 0.599 5.667 ( -0.341 -0.040 -0.497) 0.604 5.790 ( -0.199 0.055 0.198) 0.287 5.791 ( -0.203 -0.060 0.188) 0.283 5.794 ( 0.203 0.039 -0.200) 0.288 5.795 ( 0.206 -0.037 -0.176) 0.273 6.096 ( -0.469 0.038 0.439) 0.643 6.097 ( -0.468 -0.038 0.429) 0.636 6.110 ( 0.812 0.039 -0.729) 1.092 6.110 ( 0.805 -0.037 -0.741) 1.095 6.239 ( -1.532 0.030 0.664) 1.670 6.240 ( -1.499 -0.031 0.684) 1.648 6.257 ( 0.898 0.032 -0.885) 1.261 6.258 ( 0.890 -0.033 -0.868) 1.244 6.327 ( 1.687 0.060 0.989) 1.957 6.328 ( 1.556 -0.059 0.957) 1.827 6.341 ( -1.335 0.026 -0.262) 1.361 6.342 ( -1.246 -0.025 -0.235) 1.268 6.501 ( -0.183 0.041 0.496) 0.530 6.501 ( -0.193 -0.043 0.528) 0.563 6.512 ( 0.176 0.075 -0.448) 0.487 6.513 ( 0.192 -0.077 -0.473) 0.516 6.691 ( -0.141 0.004 0.512) 0.531 6.691 ( -0.111 -0.012 0.521) 0.533 6.704 ( 0.137 0.027 -0.545) 0.563 6.704 ( 0.108 -0.021 -0.562) 0.573 6.826 ( -0.288 0.127 0.747) 0.811 6.829 ( -0.299 -0.127 0.824) 0.886 6.839 ( 0.327 0.136 0.381) 0.521 6.841 ( 0.491 -0.067 0.406) 0.641 6.845 ( 0.425 0.151 -0.707) 0.839 6.848 ( 0.275 -0.218 -0.821) 0.893 6.851 ( -0.474 0.027 -0.520) 0.704 6.852 ( -0.470 -0.022 -0.523) 0.703 6.965 ( -0.172 0.067 0.377) 0.420 6.967 ( -0.164 -0.066 0.303) 0.350 6.973 ( 0.163 0.044 -0.280) 0.327 6.974 ( 0.167 -0.041 -0.360) 0.399 7.137 ( 0.203 0.245 0.288) 0.430 7.142 ( 0.178 -0.249 0.255) 0.399 7.145 ( -0.203 0.212 -0.389) 0.487 7.149 ( -0.182 -0.215 -0.368) 0.464 7.397 ( -0.015 0.079 0.229) 0.243 7.398 ( -0.014 -0.079 0.212) 0.227 7.402 ( 0.019 0.061 -0.230) 0.239 7.403 ( 0.019 -0.060 -0.217) 0.226 7.524 ( -3.848 0.039 -0.090) 3.849 7.525 ( -1.373 -0.018 -0.111) 1.378 7.526 ( -0.172 0.058 -0.105) 0.210 7.527 ( 2.678 -0.072 -0.181) 2.685 7.543 ( 4.284 0.073 0.557) 4.321 7.544 ( 4.381 -0.082 0.607) 4.423 7.553 ( -2.934 0.135 -0.298) 2.952 7.555 ( -2.998 -0.134 -0.341) 3.021 7.890 ( -0.290 0.050 0.748) 0.804 7.891 ( -0.291 -0.054 0.778) 0.833 7.907 ( 0.278 0.090 -0.720) 0.777 7.908 ( 0.279 -0.083 -0.746) 0.801 8.425 ( -0.013 0.048 1.307) 1.308 8.426 ( -0.016 -0.051 1.312) 1.313 8.455 ( 0.006 0.040 -1.218) 1.219 8.455 ( 0.019 -0.042 -1.199) 1.200 8.484 ( -0.434 0.038 0.727) 0.848 8.485 ( -0.446 -0.035 0.745) 0.869 8.503 ( 0.445 0.050 -0.936) 1.038 8.504 ( 0.453 -0.047 -0.936) 1.041 8.682 ( -0.172 0.125 1.072) 1.093 8.684 ( -0.013 -0.077 0.966) 0.969 8.701 ( -0.431 0.011 -0.262) 0.505 8.702 ( -0.198 -0.017 -0.138) 0.242 8.704 ( -0.092 -0.085 -0.190) 0.228 8.704 ( -0.145 -0.072 -0.419) 0.449 8.711 ( 0.468 0.214 -0.554) 0.756 8.715 ( 0.653 -0.306 -0.697) 1.003 8.731 ( 0.300 0.279 0.090) 0.420 8.734 ( -0.029 0.145 -0.068) 0.163 8.737 ( 0.312 -0.014 -0.016) 0.313 8.739 ( -0.272 -0.127 -0.140) 0.331 8.756 ( -0.397 0.067 0.502) 0.644 8.758 ( -0.445 -0.140 0.478) 0.668 8.765 ( 0.187 0.080 -0.202) 0.287 8.766 ( 0.240 -0.082 -0.180) 0.310======================= Grid point 40 (24/26) =======================q-point: (-0.38 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( -3.571 0.673 0.115) 3.636 0.636 ( -1.707 -1.553 -0.415) 2.345 0.673 ( -1.311 1.544 -0.717) 2.148 0.683 ( 1.740 0.245 0.078) 1.759 0.708 ( 0.482 -0.174 -0.417) 0.661 0.714 ( 0.253 -0.360 -0.100) 0.452 0.724 ( 1.134 0.304 0.524) 1.285 0.729 ( 1.266 -0.301 0.855) 1.557 0.778 ( -6.099 2.883 3.061) 7.408 0.837 ( -7.275 -3.135 2.359) 8.266 0.873 ( -6.937 1.461 -1.936) 7.349 0.896 ( -8.418 -0.511 -2.403) 8.769 0.904 ( -12.954 0.396 6.826) 14.648 0.921 ( -9.790 -1.595 6.673) 11.954 0.997 ( -0.917 3.677 -0.422) 3.813 1.049 ( -3.735 -1.480 -1.180) 4.187 1.111 ( -2.682 0.268 1.276) 2.982 1.122 ( -2.434 -0.053 -0.253) 2.447 1.140 ( -0.226 0.167 1.210) 1.242 1.163 ( -1.271 -1.777 0.730) 2.303 1.199 ( -2.438 2.263 1.519) 3.657 1.243 ( 0.094 -1.045 -0.491) 1.159 1.247 ( 0.576 -0.263 -0.696) 0.941 1.269 ( 3.894 -1.158 -2.681) 4.867 1.294 ( -4.433 1.374 -1.472) 4.869 1.319 ( -3.447 -1.338 -1.768) 4.099 1.367 ( 0.292 -0.109 -0.547) 0.630 1.369 ( 1.461 -0.378 -3.021) 3.377 1.392 ( 2.268 0.569 -0.289) 2.356 1.399 ( 2.670 -0.035 -1.022) 2.859 1.432 ( -0.451 1.294 -4.098) 4.321 1.455 ( -1.064 -1.261 -4.230) 4.540 1.551 ( -1.180 0.350 0.259) 1.257 1.559 ( -0.802 -0.490 0.169) 0.955 1.593 ( -0.257 0.186 0.528) 0.616 1.597 ( 0.046 -0.320 0.008) 0.323 1.662 ( -2.960 0.763 6.478) 7.163 1.683 ( -4.015 -1.687 6.415) 7.754 1.796 ( -0.756 0.582 -4.149) 4.257 1.814 ( -0.863 -1.430 -3.636) 4.001 1.901 ( -0.509 2.054 -0.652) 2.214 1.930 ( 0.202 1.688 1.048) 1.997 1.936 ( -1.810 -1.014 -0.679) 2.183 1.955 ( -0.409 -0.490 1.793) 1.903 2.052 ( -9.819 -0.011 0.071) 9.819 2.056 ( -7.944 -0.311 0.043) 7.950 2.072 ( -7.912 0.362 0.050) 7.920 2.078 ( -6.670 -0.198 0.886) 6.731 2.119 ( -3.740 1.050 1.095) 4.036 2.133 ( 0.776 0.212 -0.100) 0.811 2.141 ( 0.233 -0.322 0.523) 0.657 2.153 ( 2.700 -0.848 -0.354) 2.852 2.338 ( 4.119 0.340 2.921) 5.061 2.344 ( 4.041 -0.355 2.659) 4.851 2.381 ( 3.920 0.215 -3.019) 4.952 2.385 ( 3.909 -0.212 -2.923) 4.885 2.979 ( 0.639 0.230 -2.448) 2.540 2.983 ( 0.586 -0.198 -2.283) 2.365 3.009 ( 0.922 0.449 -2.936) 3.110 3.017 ( 1.011 -0.477 -3.252) 3.439 3.289 ( -0.709 0.043 2.685) 2.777 3.298 ( -0.639 -0.903 2.307) 2.559 3.346 ( 1.002 0.053 -1.127) 1.508 3.353 ( 1.126 -0.770 -1.171) 1.798 3.595 ( 2.246 0.668 3.828) 4.488 3.597 ( 2.344 0.386 3.284) 4.053 3.653 ( 3.155 0.961 -1.271) 3.535 3.656 ( 2.844 0.530 -1.377) 3.204 3.791 ( -2.349 -0.103 7.113) 7.491 3.796 ( -2.185 -0.699 6.466) 6.861 3.827 ( 0.126 0.439 1.265) 1.345 3.830 ( 0.619 0.058 0.656) 0.904 3.835 ( 0.916 0.208 0.438) 1.037 3.843 ( -0.027 -0.515 0.876) 1.017 3.902 ( -0.649 0.329 -0.023) 0.728 3.908 ( -0.479 -0.331 -0.594) 0.831 3.934 ( 0.585 0.414 -1.298) 1.483 3.943 ( -1.026 -0.524 -0.767) 1.385 3.948 ( -4.163 0.270 0.882) 4.264 3.956 ( -4.806 -0.461 0.995) 4.929 4.035 ( 1.696 0.286 -7.411) 7.608 4.043 ( 1.535 -0.528 -6.901) 7.090 4.091 ( -2.234 0.041 -0.306) 2.255 4.092 ( -2.149 -0.043 -0.284) 2.168 4.278 ( 4.893 0.079 -2.830) 5.653 4.280 ( 4.910 -0.092 -2.773) 5.640 4.289 ( 4.280 0.066 2.918) 5.181 4.290 ( 4.267 -0.066 2.968) 5.198 4.486 ( -3.619 0.307 0.054) 3.632 4.492 ( -3.570 -0.257 0.032) 3.580 4.532 ( -4.826 0.017 -0.972) 4.922 4.533 ( -4.028 -0.065 -0.675) 4.084 4.534 ( -3.684 0.056 -0.391) 3.705 4.535 ( -3.035 -0.025 -0.050) 3.035 4.555 ( -3.138 0.366 0.444) 3.190 4.562 ( -3.725 -0.310 0.358) 3.755 4.574 ( 0.202 0.119 0.616) 0.659 4.576 ( -0.081 -0.132 0.623) 0.642 4.606 ( -2.846 0.132 -0.087) 2.850 4.608 ( -2.745 -0.122 -0.224) 2.757 4.662 ( -5.409 0.065 -0.196) 5.413 4.663 ( -5.599 -0.054 -0.206) 5.603 4.673 ( 0.685 0.197 0.125) 0.724 4.677 ( 0.607 -0.172 0.170) 0.654 4.932 ( 6.392 0.035 0.933) 6.460 4.934 ( 6.357 -0.118 0.827) 6.412 4.953 ( 4.194 0.166 0.042) 4.198 4.955 ( 4.255 -0.059 -0.023) 4.256 4.957 ( -0.402 0.106 0.805) 0.906 4.960 ( -0.403 -0.139 0.742) 0.856 4.980 ( 0.614 0.035 -1.408) 1.536 4.981 ( 0.712 -0.045 -1.363) 1.539 5.163 ( -0.257 0.011 -0.673) 0.720 5.164 ( -0.281 -0.021 -0.661) 0.719 5.174 ( 0.156 0.037 0.737) 0.754 5.175 ( 0.143 -0.018 0.730) 0.745 5.294 ( 0.586 0.129 -1.075) 1.231 5.296 ( 0.332 -0.124 -1.050) 1.108 5.319 ( 0.994 0.074 1.041) 1.441 5.321 ( 1.226 -0.075 0.936) 1.544 5.340 ( -0.110 0.145 0.905) 0.923 5.343 ( -0.274 -0.145 0.823) 0.880 5.357 ( 0.303 0.124 -0.730) 0.801 5.359 ( 0.263 -0.121 -0.714) 0.771 5.445 ( 4.211 0.043 1.018) 4.332 5.446 ( 4.148 -0.062 1.031) 4.275 5.463 ( 4.205 0.208 -0.957) 4.317 5.467 ( 4.233 -0.213 -0.824) 4.318 5.633 ( -0.020 0.139 -0.260) 0.295 5.636 ( 0.167 -0.219 -0.356) 0.450 5.641 ( 0.048 0.194 0.191) 0.277 5.644 ( 0.103 -0.151 0.086) 0.202 5.681 ( 3.052 0.120 -0.839) 3.167 5.684 ( 3.188 -0.110 -0.830) 3.296 5.712 ( 5.928 0.064 0.883) 5.994 5.713 ( 5.991 -0.052 0.880) 6.055 5.789 ( 0.066 0.054 0.172) 0.192 5.791 ( 0.081 -0.070 0.154) 0.188 5.800 ( 0.453 0.074 -0.188) 0.496 5.801 ( 0.490 -0.058 -0.162) 0.519 6.061 ( -5.540 0.037 -0.239) 5.546 6.062 ( -5.559 -0.037 -0.241) 5.564 6.119 ( -5.628 0.054 0.051) 5.628 6.120 ( -5.524 -0.053 0.040) 5.524 6.135 ( 0.306 0.027 -1.306) 1.342 6.135 ( 0.081 -0.031 -1.307) 1.310 6.142 ( -1.120 0.034 1.482) 1.858 6.143 ( -1.148 -0.029 1.471) 1.866 6.467 ( 7.414 0.059 -0.801) 7.457 6.468 ( 7.289 -0.053 -0.784) 7.331 6.474 ( 7.414 0.040 0.842) 7.461 6.475 ( 7.445 -0.039 0.837) 7.492 6.502 ( 0.198 0.031 0.411) 0.458 6.503 ( 0.169 -0.040 0.421) 0.455 6.512 ( -0.035 0.085 -0.308) 0.321 6.514 ( -0.018 -0.087 -0.327) 0.339 6.674 ( -1.631 0.045 0.595) 1.737 6.675 ( -1.590 -0.059 0.618) 1.707 6.688 ( -1.127 0.025 -0.590) 1.273 6.688 ( -1.114 -0.012 -0.615) 1.273 6.815 ( -1.659 0.052 -0.281) 1.684 6.815 ( -1.705 -0.041 -0.377) 1.747 6.836 ( -0.918 0.041 0.820) 1.232 6.837 ( -0.901 -0.044 0.767) 1.184 6.839 ( 0.141 0.073 0.046) 0.165 6.840 ( 0.233 -0.083 0.245) 0.348 6.848 ( 0.548 0.234 -0.697) 0.917 6.852 ( 0.582 -0.222 -0.781) 0.999 6.960 ( -0.571 0.047 0.356) 0.675 6.961 ( -0.574 -0.045 0.281) 0.641 6.971 ( -0.257 0.028 -0.268) 0.372 6.972 ( -0.243 -0.026 -0.350) 0.427 7.140 ( -0.033 0.225 -0.315) 0.389 7.144 ( -0.038 -0.230 -0.285) 0.368 7.146 ( 0.518 0.195 0.266) 0.614 7.150 ( 0.475 -0.195 0.245) 0.569 7.367 ( -3.145 0.091 0.238) 3.155 7.368 ( -3.109 -0.094 0.219) 3.118 7.370 ( -3.181 0.085 -0.242) 3.191 7.371 ( -3.145 -0.080 -0.232) 3.154 7.420 ( -5.331 0.048 0.108) 5.332 7.421 ( -5.359 -0.049 0.121) 5.361 7.440 ( -5.489 0.070 -0.095) 5.490 7.441 ( -5.544 -0.071 -0.127) 5.546 7.627 ( 4.619 0.105 -0.378) 4.636 7.629 ( 4.614 -0.112 -0.429) 4.636 7.637 ( 4.431 0.114 0.366) 4.448 7.639 ( 4.412 -0.112 0.412) 4.433 7.871 ( -2.157 0.062 0.762) 2.289 7.872 ( -2.154 -0.066 0.799) 2.299 7.891 ( -1.569 0.089 -0.722) 1.730 7.893 ( -1.560 -0.082 -0.756) 1.736 8.423 ( -0.772 0.029 1.192) 1.420 8.424 ( -0.801 -0.032 1.186) 1.431 8.437 ( -0.744 0.048 -1.128) 1.352 8.438 ( -0.742 -0.048 -1.122) 1.346 8.493 ( 0.742 0.028 0.937) 1.196 8.494 ( 0.727 -0.029 0.935) 1.185 8.523 ( 1.718 0.054 -1.089) 2.034 8.524 ( 1.725 -0.052 -1.085) 2.038 8.680 ( -0.553 0.128 1.013) 1.161 8.682 ( -0.566 -0.071 0.949) 1.108 8.687 ( -0.453 0.122 -0.425) 0.633 8.689 ( -0.507 -0.145 -0.394) 0.658 8.693 ( -0.495 0.091 -0.097) 0.512 8.695 ( -0.429 -0.207 0.042) 0.478 8.716 ( 0.520 0.323 -0.759) 0.975 8.722 ( 0.548 -0.382 -0.748) 1.003 8.739 ( -0.672 0.094 -0.163) 0.698 8.741 ( -0.517 -0.070 -0.177) 0.551 8.742 ( -1.204 0.130 0.417) 1.281 8.744 ( -1.236 -0.081 0.463) 1.323 8.761 ( 2.137 0.370 0.113) 2.171 8.768 ( 2.152 -0.350 0.107) 2.183 8.773 ( 1.508 0.320 -0.040) 1.542 8.778 ( 1.716 -0.269 -0.060) 1.738======================= Grid point 41 (25/26) =======================q-point: (-0.25 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 37Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.461 ( -9.264 5.968 1.985) 11.197 0.565 ( -4.561 -4.901 0.940) 6.761 0.599 ( -6.255 3.731 -0.812) 7.328 0.660 ( -11.897 0.561 6.789) 13.709 0.669 ( -10.730 -0.993 4.586) 11.711 0.681 ( -6.545 -3.311 1.858) 7.567 0.710 ( -1.289 0.204 0.572) 1.425 0.717 ( -0.974 -0.752 0.637) 1.386 0.750 ( 0.476 0.976 0.018) 1.086 0.763 ( -0.038 -0.063 0.092) 0.118 0.784 ( 2.762 -0.182 0.907) 2.913 0.788 ( 2.926 -0.659 1.326) 3.279 0.823 ( 0.518 1.138 0.687) 1.427 0.835 ( 0.465 -0.174 0.401) 0.638 0.967 ( -1.993 0.654 -1.612) 2.645 0.973 ( -2.379 -0.085 -2.312) 3.319 1.026 ( -6.459 2.153 1.658) 7.008 1.043 ( -7.394 0.379 1.233) 7.506 1.105 ( -3.866 0.082 1.681) 4.216 1.116 ( -6.518 -1.075 0.826) 6.658 1.139 ( -3.388 0.124 -1.116) 3.569 1.159 ( -3.736 -1.240 -1.501) 4.213 1.179 ( -7.797 1.265 -1.441) 8.030 1.200 ( -5.053 -1.009 -1.347) 5.326 1.232 ( -5.034 0.380 -2.694) 5.722 1.247 ( -5.241 -1.129 -2.447) 5.893 1.325 ( -9.631 1.192 -3.118) 10.193 1.340 ( -11.583 -0.575 -2.387) 11.841 1.373 ( -2.538 0.153 -0.234) 2.553 1.381 ( -0.800 -0.880 -0.878) 1.478 1.413 ( -0.159 0.399 2.290) 2.330 1.418 ( -0.406 -0.195 3.040) 3.073 1.545 ( -3.602 0.019 -1.554) 3.923 1.551 ( -1.053 -0.503 -0.148) 1.176 1.565 ( -1.822 0.236 -1.643) 2.465 1.574 ( -2.018 -0.547 -1.037) 2.334 1.612 ( -3.825 0.490 4.298) 5.775 1.628 ( -2.827 -1.208 4.824) 5.720 1.738 ( -5.498 0.703 -4.441) 7.103 1.748 ( -6.677 -0.002 -2.215) 7.035 1.779 ( -3.249 -0.142 -0.544) 3.297 1.783 ( -2.335 -0.787 -1.104) 2.700 1.858 ( -6.028 0.465 -0.431) 6.062 1.865 ( -5.667 -0.327 -0.485) 5.697 1.950 ( -0.380 2.128 1.414) 2.583 1.977 ( -1.479 1.506 0.868) 2.282 1.996 ( -1.549 -1.318 1.103) 2.314 2.016 ( -1.487 -1.342 0.854) 2.177 2.165 ( 4.966 1.377 1.379) 5.335 2.187 ( 4.547 -1.123 0.901) 4.769 2.219 ( 5.458 0.926 -0.523) 5.560 2.234 ( 5.318 -0.692 -0.328) 5.373 2.395 ( -0.209 0.248 3.307) 3.323 2.400 ( -0.183 -0.235 2.923) 2.939 2.403 ( 0.242 0.215 -3.164) 3.180 2.407 ( 0.207 -0.211 -3.162) 3.176 2.980 ( 0.924 0.237 -2.717) 2.879 2.985 ( 0.891 -0.208 -2.506) 2.667 3.005 ( 0.403 0.443 -2.833) 2.896 3.014 ( 0.528 -0.491 -3.240) 3.319 3.298 ( 0.020 0.073 2.979) 2.979 3.306 ( 0.044 -0.769 2.670) 2.779 3.366 ( 1.761 0.070 -1.068) 2.061 3.374 ( 1.635 -0.745 -1.181) 2.150 3.668 ( 2.314 0.400 2.980) 3.794 3.669 ( 2.439 0.514 3.501) 4.297 3.694 ( 0.585 0.908 1.430) 1.792 3.702 ( 1.442 0.347 0.751) 1.663 3.789 ( -1.214 -0.103 4.586) 4.745 3.791 ( -1.251 -0.327 4.512) 4.693 3.838 ( 0.178 0.799 1.010) 1.300 3.843 ( -1.055 0.183 0.981) 1.452 3.854 ( -2.231 0.149 1.987) 2.992 3.859 ( 0.210 0.467 0.391) 0.644 3.863 ( -1.005 -0.782 1.594) 2.040 3.874 ( 2.204 -0.957 0.200) 2.411 3.928 ( 2.308 0.432 -0.727) 2.458 3.937 ( 2.198 -0.485 -0.096) 2.253 3.950 ( 2.294 0.377 -1.459) 2.745 3.957 ( 3.133 -0.448 -1.653) 3.570 4.026 ( 1.536 0.244 -7.387) 7.549 4.033 ( 1.328 -0.499 -6.926) 7.070 4.046 ( -1.685 0.092 -0.641) 1.806 4.047 ( -1.698 -0.039 -0.746) 1.855 4.358 ( 0.589 0.065 1.532) 1.643 4.360 ( 0.915 -0.116 1.311) 1.603 4.362 ( 2.947 0.103 -0.999) 3.113 4.363 ( 2.918 -0.022 -1.028) 3.094 4.420 ( -4.129 0.094 0.033) 4.130 4.421 ( -4.173 -0.044 0.081) 4.174 4.448 ( -2.225 0.012 -0.507) 2.282 4.450 ( -1.771 -0.208 -0.169) 1.791 4.455 ( -0.545 0.070 -0.079) 0.555 4.456 ( -1.145 0.032 -0.118) 1.151 4.529 ( -2.317 0.162 0.185) 2.330 4.532 ( -2.144 -0.119 0.278) 2.166 4.565 ( -0.907 0.103 0.722) 1.164 4.567 ( -0.853 -0.093 0.678) 1.094 4.588 ( 0.147 0.111 -0.443) 0.480 4.590 ( 0.118 -0.109 -0.453) 0.481 4.601 ( -0.564 0.092 -0.033) 0.572 4.603 ( -0.632 -0.087 0.122) 0.649 4.683 ( -0.005 0.060 -0.058) 0.083 4.684 ( -0.131 -0.045 -0.081) 0.160 4.954 ( -0.307 0.127 1.152) 1.199 4.956 ( -0.310 -0.136 1.262) 1.306 4.978 ( 0.655 0.053 -1.582) 1.713 4.979 ( 0.658 -0.051 -1.657) 1.784 5.018 ( 2.674 0.020 0.030) 2.674 5.019 ( 2.569 -0.065 0.072) 2.571 5.033 ( 3.888 0.088 0.651) 3.943 5.034 ( 3.837 -0.001 0.715) 3.903 5.161 ( 0.467 0.042 -0.675) 0.822 5.162 ( 0.554 -0.091 -0.607) 0.827 5.178 ( -0.320 0.022 1.027) 1.076 5.178 ( -0.328 0.010 0.982) 1.035 5.279 ( -1.540 0.057 -0.685) 1.686 5.280 ( -1.425 -0.062 -0.689) 1.584 5.312 ( -1.840 0.124 0.015) 1.845 5.314 ( -1.853 -0.112 -0.050) 1.857 5.342 ( -0.171 0.022 1.709) 1.717 5.343 ( -0.188 -0.046 1.737) 1.747 5.359 ( 0.548 0.041 -1.268) 1.382 5.359 ( 0.498 -0.025 -1.250) 1.346 5.533 ( 3.573 0.050 0.854) 3.673 5.534 ( 3.609 -0.094 0.891) 3.719 5.540 ( 3.415 0.107 -0.332) 3.433 5.541 ( 3.268 -0.074 -0.318) 3.284 5.623 ( -0.843 0.292 -0.061) 0.895 5.629 ( -0.678 -0.350 -0.272) 0.810 5.634 ( -0.633 0.185 0.061) 0.662 5.638 ( -0.600 -0.159 -0.133) 0.634 5.738 ( 0.781 0.244 -0.823) 1.160 5.743 ( 0.738 -0.254 -0.677) 1.033 5.787 ( -1.243 0.114 0.380) 1.305 5.789 ( -1.092 -0.137 0.322) 1.146 5.796 ( -0.826 0.027 0.631) 1.039 5.797 ( -0.769 -0.019 0.635) 0.997 5.804 ( 0.029 0.131 -0.314) 0.341 5.806 ( 0.039 -0.100 -0.301) 0.320 6.011 ( 3.585 0.033 0.251) 3.594 6.012 ( 3.595 -0.037 0.241) 3.603 6.044 ( 0.794 0.034 -0.322) 0.858 6.045 ( 0.743 -0.034 -0.313) 0.807 6.192 ( 5.084 0.027 0.876) 5.159 6.193 ( 5.153 -0.034 0.852) 5.223 6.194 ( 5.175 0.036 -0.800) 5.237 6.195 ( 5.254 -0.031 -0.807) 5.315 6.485 ( -1.412 0.091 0.156) 1.424 6.487 ( -1.384 -0.101 0.184) 1.400 6.496 ( -1.480 0.089 -0.180) 1.493 6.498 ( -1.468 -0.085 -0.209) 1.485 6.558 ( -0.072 0.074 0.994) 1.000 6.559 ( -0.071 -0.085 1.015) 1.021 6.565 ( 1.907 0.120 -0.826) 2.082 6.567 ( 1.878 -0.115 -0.884) 2.079 6.653 ( -0.494 0.081 0.791) 0.936 6.655 ( -0.469 -0.103 0.800) 0.933 6.667 ( -0.308 0.062 -0.689) 0.757 6.668 ( -0.221 -0.039 -0.731) 0.765 6.791 ( -0.227 0.077 -0.916) 0.947 6.792 ( -0.165 -0.077 -0.909) 0.928 6.828 ( -0.463 0.020 1.057) 1.154 6.828 ( -0.495 -0.011 1.047) 1.158 6.855 ( 1.242 0.079 0.083) 1.247 6.857 ( 1.233 -0.142 0.243) 1.265 6.860 ( 1.181 0.231 -0.361) 1.256 6.864 ( 1.154 -0.151 -0.549) 1.287 6.949 ( -0.770 0.021 0.397) 0.867 6.949 ( -0.776 -0.020 0.350) 0.852 6.961 ( -0.563 0.025 -0.307) 0.642 6.962 ( -0.539 -0.023 -0.382) 0.661 7.146 ( 0.889 0.190 0.146) 0.921 7.150 ( 0.841 -0.207 0.153) 0.880 7.161 ( 0.948 0.174 -0.122) 0.971 7.164 ( 0.942 -0.142 -0.131) 0.962 7.287 ( -4.764 0.122 -0.128) 4.768 7.290 ( -4.659 0.135 0.149) 4.664 7.290 ( -4.695 -0.128 -0.108) 4.698 7.293 ( -4.590 -0.124 0.167) 4.595 7.338 ( -2.840 0.023 0.134) 2.844 7.339 ( -2.849 -0.025 0.153) 2.853 7.348 ( -3.381 0.027 -0.229) 3.389 7.349 ( -3.393 -0.025 -0.244) 3.402 7.702 ( 3.096 0.059 -0.234) 3.105 7.703 ( 3.064 -0.083 -0.277) 3.078 7.713 ( 3.054 0.085 0.226) 3.064 7.714 ( 3.019 -0.079 0.259) 3.031 7.813 ( -4.161 0.061 0.857) 4.249 7.815 ( -4.219 -0.064 0.908) 4.316 7.837 ( -3.513 0.078 -0.800) 3.604 7.838 ( -3.527 -0.073 -0.844) 3.627 8.414 ( -0.659 0.002 0.885) 1.103 8.415 ( -0.627 -0.005 0.894) 1.092 8.421 ( -0.335 0.049 -0.896) 0.958 8.422 ( -0.338 -0.050 -0.898) 0.961 8.514 ( 0.566 0.015 1.216) 1.341 8.514 ( 0.652 -0.037 1.211) 1.376 8.547 ( 1.357 0.061 -1.330) 1.901 8.548 ( 1.358 -0.060 -1.323) 1.897 8.673 ( -0.851 0.149 0.537) 1.017 8.675 ( -0.875 -0.130 0.649) 1.097 8.679 ( -0.453 0.003 -0.484) 0.663 8.679 ( -0.672 -0.015 -0.473) 0.822 8.687 ( -0.104 0.099 0.075) 0.162 8.689 ( -0.148 -0.122 0.112) 0.222 8.715 ( -1.220 0.046 0.335) 1.266 8.716 ( -1.298 -0.091 0.335) 1.344 8.721 ( -0.839 0.219 0.396) 0.954 8.724 ( 0.165 0.087 -0.306) 0.359 8.726 ( -0.025 0.060 -0.103) 0.121 8.732 ( 0.815 -0.379 -0.766) 1.181 8.804 ( 2.053 0.405 0.196) 2.102 8.811 ( 2.069 0.060 -0.026) 2.070 8.812 ( 2.143 -0.041 0.035) 2.143 8.818 ( 2.146 -0.340 -0.147) 2.177======================= Grid point 42 (26/26) =======================q-point: (-0.12 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.339 ( -4.769 10.911 2.746) 12.220 0.467 ( -7.789 -0.074 1.487) 7.930 0.480 ( -9.115 3.851 7.066) 12.159 0.489 ( -7.699 -0.230 1.719) 7.892 0.536 ( -4.582 -6.428 2.076) 8.162 0.580 ( -3.700 -6.287 1.096) 7.377 0.687 ( -11.265 0.381 7.100) 13.321 0.694 ( -15.520 -0.473 7.903) 17.423 0.730 ( -6.180 1.538 3.391) 7.215 0.735 ( -6.441 0.413 3.669) 7.424 0.766 ( -4.273 1.276 -0.445) 4.482 0.790 ( 0.200 -0.019 -1.851) 1.862 0.829 ( -3.190 0.861 -0.086) 3.305 0.847 ( -6.145 -0.492 0.301) 6.172 0.864 ( -1.576 -0.005 -1.408) 2.113 0.877 ( -7.346 -0.011 -3.387) 8.089 0.883 ( -7.828 1.077 -1.979) 8.146 0.905 ( -3.341 -0.383 -1.656) 3.748 0.963 ( -5.497 0.739 0.919) 5.622 0.977 ( -4.171 -0.889 0.907) 4.360 1.009 ( -5.267 1.825 -0.347) 5.585 1.032 ( -4.624 0.416 -1.957) 5.038 1.038 ( -5.101 -0.479 -1.263) 5.277 1.067 ( -2.671 -1.183 -4.314) 5.210 1.113 ( -3.666 2.036 -0.700) 4.252 1.137 ( 0.400 0.579 -4.684) 4.737 1.157 ( -1.496 -1.498 -1.884) 2.834 1.171 ( -0.466 -1.607 -3.297) 3.697 1.348 ( -1.678 0.397 2.070) 2.694 1.353 ( -1.978 -0.279 1.333) 2.401 1.403 ( -2.456 0.868 3.228) 4.148 1.418 ( -1.946 -0.833 4.074) 4.591 1.453 ( -1.337 1.176 -3.222) 3.681 1.485 ( -1.594 -2.222 -2.013) 3.396 1.536 ( -0.466 0.618 -3.720) 3.799 1.550 ( -0.415 -0.866 -3.138) 3.282 1.600 ( -1.129 0.809 2.917) 3.231 1.617 ( -1.211 -1.316 3.260) 3.719 1.689 ( 1.134 0.727 -1.099) 1.738 1.706 ( 0.903 -0.835 1.625) 2.037 1.742 ( -1.458 0.371 -0.599) 1.619 1.753 ( -1.350 -0.700 -0.302) 1.550 1.811 ( -0.083 0.372 -1.725) 1.767 1.818 ( -0.343 -0.438 -1.824) 1.907 1.938 ( -0.979 2.111 0.808) 2.463 1.953 ( -1.383 2.402 0.562) 2.828 1.975 ( -1.060 -1.585 0.893) 2.106 1.991 ( -1.520 -1.487 0.697) 2.238 2.268 ( 4.034 0.926 1.366) 4.358 2.285 ( 4.111 -0.846 0.966) 4.306 2.310 ( 3.374 0.901 -0.545) 3.535 2.325 ( 3.383 -0.761 -0.505) 3.504 2.375 ( -2.372 0.200 1.431) 2.777 2.377 ( -1.113 0.022 -0.970) 1.476 2.383 ( -0.585 -0.005 -1.031) 1.186 2.383 ( -1.173 -0.035 0.390) 1.237 2.980 ( 0.535 0.240 -2.557) 2.623 2.985 ( 0.445 -0.228 -2.334) 2.387 2.996 ( 0.343 0.463 -2.731) 2.791 3.006 ( 0.517 -0.523 -3.174) 3.258 3.319 ( 0.165 0.035 3.481) 3.485 3.325 ( 0.085 -0.566 3.266) 3.315 3.395 ( 1.674 -0.288 -1.745) 2.435 3.397 ( 1.378 -0.498 -1.641) 2.200 3.697 ( -0.280 0.380 1.962) 2.018 3.700 ( -0.292 0.198 2.136) 2.165 3.707 ( -0.107 0.915 1.481) 1.744 3.716 ( -0.386 0.307 0.856) 0.988 3.786 ( -1.516 -0.088 4.227) 4.491 3.788 ( -1.438 -0.262 4.249) 4.493 3.824 ( -1.248 0.250 2.965) 3.227 3.828 ( -1.126 -0.196 2.626) 2.864 3.849 ( -0.445 0.934 2.597) 2.795 3.863 ( -0.504 -0.692 1.884) 2.069 3.876 ( 0.639 1.218 -0.760) 1.571 3.898 ( 0.690 -0.878 -1.168) 1.616 4.009 ( 1.943 -0.033 -2.037) 2.815 4.011 ( 0.645 -0.185 -2.174) 2.275 4.017 ( 4.239 0.242 -1.754) 4.594 4.021 ( 2.793 0.246 -5.042) 5.769 4.022 ( 5.259 -0.355 -1.374) 5.447 4.026 ( 2.250 -0.343 -6.455) 6.844 4.047 ( 5.378 0.349 -0.402) 5.404 4.055 ( 5.539 -0.431 -0.727) 5.603 4.321 ( -3.986 0.235 0.838) 4.080 4.325 ( -4.027 -0.230 0.830) 4.118 4.343 ( -3.275 0.098 -0.623) 3.336 4.344 ( -3.303 -0.075 -0.606) 3.358 4.355 ( -1.819 0.263 1.134) 2.160 4.360 ( -1.817 -0.270 1.131) 2.157 4.450 ( 0.038 0.081 -3.388) 3.390 4.452 ( 0.067 -0.091 -3.437) 3.439 4.475 ( -0.356 0.125 0.986) 1.056 4.478 ( -0.731 -0.184 0.779) 1.084 4.488 ( 0.905 0.077 1.144) 1.461 4.489 ( 1.037 -0.064 1.269) 1.639 4.571 ( 0.643 0.076 0.548) 0.848 4.572 ( 0.737 -0.042 0.550) 0.921 4.604 ( 1.608 0.081 -0.379) 1.654 4.605 ( 1.580 -0.086 -0.361) 1.623 4.616 ( 0.991 0.059 1.545) 1.836 4.617 ( 0.941 -0.067 1.596) 1.854 4.672 ( -0.684 0.104 -0.824) 1.076 4.674 ( -0.614 -0.106 -0.776) 0.995 4.959 ( -0.037 0.167 1.487) 1.496 4.962 ( 0.004 -0.194 1.583) 1.595 4.987 ( 1.251 0.092 -1.781) 2.178 4.989 ( 1.356 -0.104 -1.695) 2.173 5.063 ( 1.932 0.029 0.572) 2.015 5.064 ( 2.149 -0.108 0.775) 2.287 5.099 ( 2.483 0.058 -0.143) 2.488 5.099 ( 2.582 0.045 -0.114) 2.585 5.174 ( 0.113 0.001 0.764) 0.773 5.174 ( -0.181 -0.035 1.038) 1.055 5.177 ( 0.698 0.172 0.151) 0.734 5.180 ( 1.266 -0.207 -0.123) 1.289 5.243 ( -1.541 0.117 -0.321) 1.579 5.245 ( -1.529 -0.129 -0.304) 1.564 5.268 ( -2.324 0.060 -0.281) 2.341 5.269 ( -2.380 -0.066 -0.313) 2.402 5.345 ( -0.634 0.051 1.804) 1.913 5.346 ( -0.598 -0.078 1.857) 1.953 5.365 ( 0.905 0.088 -1.510) 1.763 5.367 ( 0.980 -0.085 -1.553) 1.838 5.580 ( 0.288 0.039 1.189) 1.224 5.581 ( 0.298 -0.085 1.067) 1.111 5.585 ( 0.658 0.131 0.818) 1.057 5.586 ( 1.108 -0.059 0.603) 1.263 5.604 ( -0.437 0.226 -0.471) 0.681 5.609 ( -0.841 -0.292 -0.633) 1.092 5.623 ( -0.004 0.116 -0.542) 0.554 5.625 ( -0.079 -0.092 -0.661) 0.672 5.698 ( -2.429 0.223 -0.467) 2.484 5.703 ( -2.454 -0.243 -0.318) 2.486 5.716 ( -3.396 0.202 0.241) 3.411 5.719 ( -3.267 -0.180 0.128) 3.274 5.795 ( -0.052 0.061 0.354) 0.363 5.796 ( -0.011 -0.099 0.322) 0.337 5.806 ( 0.198 0.081 -0.395) 0.449 5.807 ( 0.148 -0.061 -0.378) 0.411 6.095 ( 3.105 0.047 0.221) 3.113 6.096 ( 3.116 -0.114 0.122) 3.121 6.099 ( 3.105 0.062 -0.191) 3.112 6.100 ( 3.103 -0.002 -0.119) 3.105 6.318 ( 6.927 0.073 -0.328) 6.935 6.320 ( 6.895 -0.082 -0.282) 6.901 6.335 ( 7.645 0.041 0.248) 7.649 6.336 ( 7.623 -0.037 0.258) 7.628 6.459 ( -0.716 0.122 0.239) 0.765 6.461 ( -0.701 -0.136 0.259) 0.760 6.469 ( -0.337 0.071 -0.253) 0.427 6.470 ( -0.416 -0.080 -0.268) 0.502 6.507 ( -4.153 0.168 1.611) 4.458 6.512 ( -3.754 -0.312 1.862) 4.202 6.546 ( -2.237 0.011 -1.026) 2.461 6.546 ( -2.120 -0.018 -0.844) 2.281 6.669 ( 1.080 0.118 0.928) 1.429 6.671 ( 1.128 -0.128 0.933) 1.469 6.682 ( 1.816 0.137 -0.910) 2.036 6.684 ( 1.894 -0.126 -0.929) 2.113 6.770 ( -1.930 0.038 -0.282) 1.951 6.770 ( -2.083 -0.039 -0.369) 2.115 6.806 ( -2.697 0.102 0.687) 2.785 6.808 ( -2.516 -0.101 0.749) 2.627 6.868 ( -0.250 0.153 0.357) 0.462 6.872 ( -0.215 -0.197 0.442) 0.530 6.877 ( 0.502 0.277 -0.514) 0.770 6.881 ( 0.608 -0.125 -0.645) 0.895 6.940 ( -0.353 0.021 0.390) 0.526 6.940 ( -0.359 -0.024 0.418) 0.552 6.950 ( -0.278 0.026 -0.361) 0.456 6.951 ( -0.262 -0.024 -0.414) 0.491 7.158 ( -0.934 0.192 0.345) 1.014 7.162 ( -0.852 -0.223 0.368) 0.955 7.166 ( -0.995 0.287 -0.432) 1.122 7.170 ( -0.845 -0.170 -0.472) 0.983 7.212 ( -2.151 0.171 0.014) 2.158 7.215 ( -2.221 -0.039 0.001) 2.221 7.216 ( -2.184 0.060 -0.006) 2.184 7.219 ( -2.289 -0.145 0.000) 2.294 7.338 ( 2.895 0.001 -0.023) 2.896 7.338 ( 2.977 -0.017 -0.016) 2.977 7.339 ( 2.905 0.038 -0.022) 2.906 7.339 ( 2.897 -0.022 -0.042) 2.897 7.694 ( -5.245 0.065 0.396) 5.260 7.696 ( -5.175 -0.156 0.325) 5.188 7.699 ( -4.463 0.108 -0.182) 4.468 7.700 ( -4.587 -0.025 -0.122) 4.589 7.783 ( 1.293 0.067 0.507) 1.391 7.784 ( 1.365 -0.071 0.472) 1.446 7.796 ( 0.776 0.004 -0.649) 1.012 7.796 ( 0.875 -0.010 -0.607) 1.065 8.409 ( -0.369 0.039 0.628) 0.729 8.410 ( -0.341 -0.040 0.637) 0.724 8.415 ( 0.179 0.039 -0.660) 0.685 8.416 ( 0.163 -0.040 -0.663) 0.683 8.525 ( -0.193 0.073 1.274) 1.291 8.527 ( -0.138 -0.208 1.148) 1.174 8.556 ( 0.376 0.054 -1.393) 1.444 8.557 ( 0.352 -0.052 -1.368) 1.413 8.653 ( -1.216 0.079 0.052) 1.220 8.654 ( -1.012 -0.019 -0.152) 1.024 8.655 ( -0.998 0.003 -0.150) 1.009 8.657 ( -1.141 -0.076 -0.145) 1.153 8.690 ( 0.065 0.126 0.694) 0.708 8.692 ( 0.080 -0.122 0.685) 0.701 8.707 ( 0.210 0.061 -0.267) 0.345 8.709 ( 0.198 -0.090 -0.203) 0.297 8.718 ( -0.062 0.310 0.848) 0.905 8.724 ( -0.019 -0.307 0.863) 0.917 8.737 ( 0.770 0.330 -0.833) 1.181 8.743 ( 0.748 -0.364 -0.820) 1.168 8.837 ( 1.156 0.429 0.280) 1.264 8.843 ( 1.256 0.102 -0.086) 1.263 8.845 ( 1.246 -0.095 0.080) 1.252 8.851 ( 1.318 -0.357 -0.218) 1.382=================== 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 3/15552 10.0 1.436 0.508 1.142 0.000 0.113 0.000 3/15552 20.0 0.692 0.170 0.466 0.000 0.009 0.000 3/15552 30.0 0.534 0.106 0.342 0.000 -0.012 0.000 3/15552 40.0 0.495 0.080 0.310 0.000 -0.024 0.000 3/15552 50.0 0.495 0.065 0.293 0.000 -0.030 0.000 3/15552 60.0 0.503 0.055 0.276 0.000 -0.031 0.000 3/15552 70.0 0.510 0.048 0.259 0.000 -0.031 0.000 3/15552 80.0 0.512 0.042 0.242 0.000 -0.030 0.000 3/15552 90.0 0.508 0.038 0.226 0.000 -0.028 0.000 3/15552 100.0 0.500 0.034 0.211 0.000 -0.027 0.000 3/15552 110.0 0.489 0.031 0.198 0.000 -0.025 0.000 3/15552 120.0 0.477 0.029 0.187 0.000 -0.024 0.000 3/15552 130.0 0.463 0.027 0.176 0.000 -0.022 0.000 3/15552 140.0 0.449 0.025 0.166 0.000 -0.021 0.000 3/15552 150.0 0.435 0.023 0.158 0.000 -0.020 0.000 3/15552 160.0 0.421 0.022 0.150 0.000 -0.019 0.000 3/15552 170.0 0.408 0.021 0.143 0.000 -0.018 0.000 3/15552 180.0 0.395 0.020 0.136 0.000 -0.017 0.000 3/15552 190.0 0.382 0.019 0.130 0.000 -0.016 0.000 3/15552 200.0 0.370 0.018 0.125 0.000 -0.016 0.000 3/15552 210.0 0.359 0.017 0.120 0.000 -0.015 0.000 3/15552 220.0 0.348 0.016 0.115 0.000 -0.014 0.000 3/15552 230.0 0.337 0.015 0.111 0.000 -0.014 0.000 3/15552 240.0 0.327 0.015 0.107 0.000 -0.013 0.000 3/15552 250.0 0.318 0.014 0.103 0.000 -0.013 0.000 3/15552 260.0 0.309 0.014 0.100 0.000 -0.012 0.000 3/15552 270.0 0.300 0.013 0.096 0.000 -0.012 0.000 3/15552 280.0 0.292 0.013 0.093 0.000 -0.012 0.000 3/15552 290.0 0.284 0.012 0.090 0.000 -0.011 0.000 3/15552 300.0 0.277 0.012 0.088 0.000 -0.011 0.000 3/15552 310.0 0.270 0.012 0.085 0.000 -0.011 0.000 3/15552 320.0 0.263 0.011 0.083 0.000 -0.010 0.000 3/15552 330.0 0.257 0.011 0.081 0.000 -0.010 0.000 3/15552 340.0 0.251 0.011 0.078 0.000 -0.010 0.000 3/15552 350.0 0.245 0.010 0.076 0.000 -0.009 0.000 3/15552 360.0 0.239 0.010 0.074 0.000 -0.009 0.000 3/15552 370.0 0.234 0.010 0.073 0.000 -0.009 0.000 3/15552 380.0 0.229 0.009 0.071 0.000 -0.009 0.000 3/15552 390.0 0.224 0.009 0.069 0.000 -0.009 0.000 3/15552 400.0 0.219 0.009 0.068 0.000 -0.008 0.000 3/15552 410.0 0.215 0.009 0.066 0.000 -0.008 0.000 3/15552 420.0 0.211 0.009 0.065 0.000 -0.008 0.000 3/15552 430.0 0.206 0.008 0.063 0.000 -0.008 0.000 3/15552 440.0 0.202 0.008 0.062 0.000 -0.008 0.000 3/15552 450.0 0.199 0.008 0.061 0.000 -0.007 0.000 3/15552 460.0 0.195 0.008 0.059 0.000 -0.007 0.000 3/15552 470.0 0.191 0.008 0.058 0.000 -0.007 0.000 3/15552 480.0 0.188 0.008 0.057 0.000 -0.007 0.000 3/15552 490.0 0.184 0.007 0.056 0.000 -0.007 0.000 3/15552 500.0 0.181 0.007 0.055 0.000 -0.007 0.000 3/15552 510.0 0.178 0.007 0.054 0.000 -0.007 0.000 3/15552 520.0 0.175 0.007 0.053 0.000 -0.007 0.000 3/15552 530.0 0.172 0.007 0.052 0.000 -0.006 0.000 3/15552 540.0 0.169 0.007 0.051 0.000 -0.006 0.000 3/15552 550.0 0.167 0.007 0.050 0.000 -0.006 0.000 3/15552 560.0 0.164 0.006 0.049 0.000 -0.006 0.000 3/15552 570.0 0.161 0.006 0.049 0.000 -0.006 0.000 3/15552 580.0 0.159 0.006 0.048 0.000 -0.006 0.000 3/15552 590.0 0.156 0.006 0.047 0.000 -0.006 0.000 3/15552 600.0 0.154 0.006 0.046 0.000 -0.006 0.000 3/15552 610.0 0.152 0.006 0.046 0.000 -0.006 0.000 3/15552 620.0 0.150 0.006 0.045 0.000 -0.006 0.000 3/15552 630.0 0.148 0.006 0.044 0.000 -0.005 0.000 3/15552 640.0 0.145 0.006 0.044 0.000 -0.005 0.000 3/15552 650.0 0.143 0.006 0.043 0.000 -0.005 0.000 3/15552 660.0 0.141 0.005 0.042 0.000 -0.005 0.000 3/15552 670.0 0.140 0.005 0.042 0.000 -0.005 0.000 3/15552 680.0 0.138 0.005 0.041 0.000 -0.005 0.000 3/15552 690.0 0.136 0.005 0.041 0.000 -0.005 0.000 3/15552 700.0 0.134 0.005 0.040 0.000 -0.005 0.000 3/15552 710.0 0.132 0.005 0.040 0.000 -0.005 0.000 3/15552 720.0 0.131 0.005 0.039 0.000 -0.005 0.000 3/15552 730.0 0.129 0.005 0.039 0.000 -0.005 0.000 3/15552 740.0 0.127 0.005 0.038 0.000 -0.005 0.000 3/15552 750.0 0.126 0.005 0.038 0.000 -0.005 0.000 3/15552 760.0 0.124 0.005 0.037 0.000 -0.005 0.000 3/15552 770.0 0.123 0.005 0.037 0.000 -0.004 0.000 3/15552 780.0 0.121 0.005 0.036 0.000 -0.004 0.000 3/15552 790.0 0.120 0.005 0.036 0.000 -0.004 0.000 3/15552 800.0 0.119 0.005 0.035 0.000 -0.004 0.000 3/15552 810.0 0.117 0.004 0.035 0.000 -0.004 0.000 3/15552 820.0 0.116 0.004 0.035 0.000 -0.004 0.000 3/15552 830.0 0.115 0.004 0.034 0.000 -0.004 0.000 3/15552 840.0 0.113 0.004 0.034 0.000 -0.004 0.000 3/15552 850.0 0.112 0.004 0.033 0.000 -0.004 0.000 3/15552 860.0 0.111 0.004 0.033 0.000 -0.004 0.000 3/15552 870.0 0.110 0.004 0.033 0.000 -0.004 0.000 3/15552 880.0 0.109 0.004 0.032 0.000 -0.004 0.000 3/15552 890.0 0.107 0.004 0.032 0.000 -0.004 0.000 3/15552 900.0 0.106 0.004 0.032 0.000 -0.004 0.000 3/15552 910.0 0.105 0.004 0.031 0.000 -0.004 0.000 3/15552 920.0 0.104 0.004 0.031 0.000 -0.004 0.000 3/15552 930.0 0.103 0.004 0.031 0.000 -0.004 0.000 3/15552 940.0 0.102 0.004 0.030 0.000 -0.004 0.000 3/15552 950.0 0.101 0.004 0.030 0.000 -0.004 0.000 3/15552 960.0 0.100 0.004 0.030 0.000 -0.004 0.000 3/15552 970.0 0.099 0.004 0.029 0.000 -0.004 0.000 3/15552 980.0 0.098 0.004 0.029 0.000 -0.004 0.000 3/15552 990.0 0.097 0.004 0.029 0.000 -0.004 0.000 3/15552 1000.0 0.096 0.004 0.029 0.000 -0.003 0.000 3/15552Thermal conductivity related properties were written into "kappa-m833.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 22:01:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|