mirror of https://github.com/abinit/abinit.git
4827 lines
280 KiB
Plaintext
4827 lines
280 KiB
Plaintext
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**** DERIVATIVE DATABASE ****
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+DDB, Version number 20230401
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He BCC conventional cell EIGR2D file
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usepaw 0
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natom 2
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nkpt 4
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nsppol 1
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nsym 1
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ntypat 1
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occopt 1
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nband 8
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acell 0.43000000000000D+01 0.43000000000000D+01 0.43000000000000D+01
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amu 0.40026020000000D+01
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dilatmx 0.10000000000000D+01
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ecut 0.80000000000000D+01
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ecutsm 0.00000000000000D+00
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intxc 0
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iscf 7
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ixc 1
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kpt 0.00000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
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0.50000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
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0.50000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
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kptnrm 0.10000000000000D+01
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ngfft 12 12 12
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nspden 1
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nspinor 1
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occ 0.20000000000000D+01 0.20000000000000D+01 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00
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rprim 0.10000000000000D+01 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.10000000000000D+01 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.10000000000000D+01
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dfpt_sciss 0.00000000000000D+00
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spinat 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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symafm 1
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symrel 1 0 0 0 1 0 0 0 1
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tnons 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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tolwfr 0.10000000000000D+01
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tphysel 0.00000000000000D+00
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tsmear 0.10000000000000D-01
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typat 1 1
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wtk 0.25000000000000D+00 0.25000000000000D+00 0.25000000000000D+00
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0.25000000000000D+00
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xred 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.50000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
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znucl 0.20000000000000D+01
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zion 0.20000000000000D+01
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Description of the potentials (KB energies)
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vrsio8 (for pseudopotentials)=100401
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usepaw = 0
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dimekb = 1 lmnmax= 1
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Atom type= 1 pspso= 0 nekb= 0
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iln lpsang iproj ekb(:)
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**** Database of total energy derivatives ****
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Number of data blocks= 4
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2nd eigenvalue derivatives - # elements : 36
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qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
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K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
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Band: 1
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1 1 1 1 -0.22452141714809D+01 -0.10977546996416D-17
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2 1 1 1 -0.21548318827734D-09 0.19716839151945D-16
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3 1 1 1 -0.77839293803450D-12 0.32985862983214D-18
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1 2 1 1 0.25831791912337D+00 -0.23424266402188D-16
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2 2 1 1 -0.17181748375109D-09 0.13373613501775D-16
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3 2 1 1 0.36903790655217D-12 0.15870879553796D-17
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1 1 2 1 -0.21548317450798D-09 -0.16399858130498D-16
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2 1 2 1 -0.15466482868107D+01 0.17347234759768D-17
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3 1 2 1 -0.24006999935827D-09 0.74057125227980D-16
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1 2 2 1 0.17058530475735D-09 -0.29600580050571D-18
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2 2 2 1 -0.16819896067574D+00 0.48348101776382D-16
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3 2 2 1 0.19830753238358D-09 -0.11543208351622D-16
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1 1 3 1 -0.77841083541716D-12 0.13770355705223D-18
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2 1 3 1 -0.24006997380783D-09 -0.72263109445695D-16
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3 1 3 1 -0.22452141710306D+01 0.43368086899420D-18
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1 2 3 1 0.35708230769169D-12 0.95749694160291D-17
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2 2 3 1 -0.19997510916218D-09 -0.14996470049331D-16
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3 2 3 1 0.25831791880215D+00 0.40105569037956D-16
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1 1 1 2 0.25831791912337D+00 0.21040715688614D-16
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2 1 1 2 0.17058530237211D-09 0.14790862017277D-19
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3 1 1 2 0.35709859444120D-12 -0.96872012815402D-17
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1 2 1 2 -0.20933120395989D+00 0.47433845046241D-18
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2 2 1 2 0.21463002688863D-09 0.54356781092920D-18
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3 2 1 2 -0.20809229888977D-13 -0.30255955378233D-17
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1 1 2 2 -0.17181749434917D-09 -0.84303292215990D-17
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2 1 2 2 -0.16819896067574D+00 -0.53552272204313D-16
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3 1 2 2 -0.19997510787215D-09 0.18645064469628D-16
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1 2 2 2 0.21463004125431D-09 0.14046079677557D-17
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2 2 2 2 -0.23935384815372D+00 -0.52041704279304D-17
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3 2 2 2 0.23908059371425D-09 0.50547374337751D-17
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1 1 3 2 0.36902868744557D-12 -0.45587545432152D-18
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2 1 3 2 0.19830752203961D-09 0.49126344405153D-17
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3 1 3 2 0.25831791880215D+00 -0.38804526430974D-16
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1 2 3 2 -0.20810456392684D-13 0.69456086697947D-18
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2 2 3 2 0.23908059509661D-09 -0.24492640880209D-17
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3 2 3 2 -0.20933120386404D+00 -0.13010426069826D-17
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Band: 2
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1 1 1 1 -0.20933120396845D+00 0.18160386389132D-17
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2 1 1 1 0.21505390131738D-09 -0.34000184338979D-17
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3 1 1 1 -0.23337772191653D-13 -0.56756772882678D-18
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1 2 1 1 0.25831791912594D+00 -0.41726018076503D-16
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2 2 1 1 0.17232403601627D-09 -0.86167121620314D-17
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3 2 1 1 0.35621756851293D-12 0.16769816809745D-16
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1 1 2 1 0.21505389543558D-09 0.18922997877852D-17
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2 1 2 1 -0.23935384816280D+00 0.00000000000000D+00
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3 1 2 1 0.23959939283254D-09 0.86030716904101D-17
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1 2 2 1 -0.17009333696496D-09 0.19767749250966D-16
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2 2 2 1 -0.16819896067603D+00 0.38423917883308D-16
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3 2 2 1 -0.19772829895834D-09 0.80573112460966D-17
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1 1 3 1 -0.23336982756947D-13 0.12722991409424D-17
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2 1 3 1 0.23959939435720D-09 -0.79313745632374D-17
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3 1 3 1 -0.20933120387270D+00 -0.43368086899420D-18
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1 2 3 1 0.36654488892317D-12 -0.38740840811782D-17
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2 2 3 1 0.20054159640711D-09 -0.12625591290087D-17
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3 2 3 1 0.25831791880479D+00 0.11204080738828D-16
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1 1 1 2 0.25831791912594D+00 0.43308275621974D-16
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2 1 1 2 -0.17009335149327D-09 -0.14036724329844D-16
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3 1 1 2 0.36654024887668D-12 0.16701551034397D-16
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1 2 1 2 -0.22452141714505D+01 -0.16263032587283D-17
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2 2 1 2 -0.21506344471836D-09 -0.36145297062569D-17
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3 2 1 2 -0.76471806786338D-12 -0.79905361516144D-17
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1 1 2 2 0.17232399915340D-09 0.10569970138400D-16
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2 1 2 2 -0.16819896067603D+00 -0.28882938765436D-16
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3 1 2 2 0.20054160406090D-09 -0.18092058542090D-17
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1 2 2 2 -0.21506344786255D-09 0.28691407126731D-17
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2 2 2 2 -0.15466482867977D+01 -0.52041704279304D-17
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3 2 2 2 -0.23954257746263D-09 0.30221392511819D-16
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1 1 3 2 0.35622525448990D-12 -0.13069976896138D-16
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2 1 3 2 -0.19772828668992D-09 -0.95544419803686D-17
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3 1 3 2 0.25831791880479D+00 -0.13480905301047D-16
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1 2 3 2 -0.76468845029759D-12 0.93864464486895D-17
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2 2 3 2 -0.23954257956401D-09 -0.27462606202611D-16
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3 2 3 2 -0.22452141709994D+01 0.43368086899420D-18
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Band: 3
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1 1 1 1 -0.29187059128855D+01 0.19515639104739D-17
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2 1 1 1 -0.82272816158345D-10 0.10207161495444D-16
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3 1 1 1 -0.26895171849519D-12 0.19068514998054D-16
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1 2 1 1 -0.55399126141450D+00 0.31169102360997D-16
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2 2 1 1 0.12980517361283D-09 0.45994670254542D-16
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3 2 1 1 0.70157235333585D-12 0.11664964362009D-16
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1 1 2 1 -0.82272812688898D-10 -0.12375565840415D-16
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2 1 2 1 -0.12337890700477D+01 0.20816681711722D-16
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3 1 2 1 -0.55036347203828D-10 0.38658349934990D-17
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1 2 2 1 -0.12755089684175D-09 -0.93066740877506D-17
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2 2 2 1 0.15507146404022D-01 -0.53772510828206D-16
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3 2 2 1 -0.12397430566850D-09 0.24547829409449D-16
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1 1 3 1 -0.26893483882262D-12 -0.24272685425984D-16
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2 1 3 1 -0.55036335711285D-10 -0.14003125306238D-16
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3 1 3 1 -0.29187059129991D+01 -0.92157184661268D-17
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1 2 3 1 0.69525660587847D-12 0.36767136867168D-17
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2 2 3 1 0.12694801673184D-09 0.21160037085181D-16
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3 2 3 1 -0.55399126169658D+00 -0.67474059465868D-16
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1 1 1 2 -0.55399126141450D+00 -0.41035342130615D-16
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2 1 1 2 -0.12755086561673D-09 0.38856632253231D-17
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3 1 1 2 0.69525018198060D-12 -0.80357792963018D-18
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1 2 1 2 -0.85935469788762D+00 0.46620693416877D-17
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2 2 1 2 0.87539512750687D-10 0.19215673159375D-16
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3 2 1 2 0.78145400129044D-12 -0.65708763259640D-17
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1 1 2 2 0.12980513718364D-09 -0.19241981648463D-16
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2 1 2 2 0.15507146404022D-01 0.42496808234357D-16
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3 1 2 2 0.12694798682141D-09 -0.17636380024603D-16
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1 2 2 2 0.87539463311068D-10 -0.20462505657733D-16
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2 2 2 2 0.25920039686730D-01 -0.20816681711722D-16
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3 2 2 2 0.62244507118432D-10 0.20071919436034D-16
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1 1 3 2 0.70158433376985D-12 -0.61084282280210D-17
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2 1 3 2 -0.12397425281364D-09 -0.16199472681311D-16
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3 1 3 2 -0.55399126169658D+00 0.48392101230123D-16
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1 2 3 2 0.78144446031132D-12 -0.30785230091570D-17
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2 2 3 2 0.62244503784510D-10 -0.97448937431091D-17
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3 2 3 2 -0.85935469786741D+00 0.11655173354219D-16
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Band: 4
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1 1 1 1 -0.85935469789445D+00 0.28189256484623D-17
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2 1 1 1 0.81298949271527D-10 -0.18334022195163D-16
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3 1 1 1 0.74630188039287D-12 0.25682318149725D-17
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1 2 1 1 -0.55399126141940D+00 -0.32983124197147D-16
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2 2 1 1 -0.12994772130231D-09 -0.80386861906891D-17
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3 2 1 1 0.66884531216539D-12 0.81782471143609D-16
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1 1 2 1 0.81298970088209D-10 0.83322571539844D-17
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2 1 2 1 0.25920039687844D-01 0.20816681711722D-16
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3 1 2 1 0.54201317549032D-10 0.55378855853258D-16
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1 2 2 1 0.12735919382721D-09 -0.99868564036515D-17
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2 2 2 1 0.15507146399771D-01 0.14665935520874D-16
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3 2 2 1 0.12387256435445D-09 0.13244174238672D-15
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1 1 3 1 0.74631814342546D-12 -0.71218809394116D-17
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2 1 3 1 0.54201330261302D-10 -0.53996498083339D-16
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3 1 3 1 -0.85935469787305D+00 -0.20599841277225D-16
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1 2 3 1 0.68972069025137D-12 0.79888580417327D-17
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2 2 3 1 -0.12710094170330D-09 0.53596513610640D-16
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3 2 3 1 -0.55399126169867D+00 -0.91705614797893D-16
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1 1 1 2 -0.55399126141940D+00 0.23333724862026D-16
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2 1 1 2 0.12735921377653D-09 0.26141468773686D-16
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3 1 1 2 0.68975701102415D-12 0.58347196574575D-17
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1 2 1 2 -0.29187059129878D+01 0.10625181290358D-16
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2 2 1 2 -0.88333807738132D-10 -0.20255243426186D-16
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3 2 1 2 -0.23591917390061D-12 0.16529181083992D-15
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1 1 2 2 -0.12994771609814D-09 0.11182872490897D-16
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2 1 2 2 0.15507146399771D-01 -0.57166660682306D-16
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3 1 2 2 -0.12710094360065D-09 -0.71079273641968D-16
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1 2 2 2 -0.88333887535412D-10 0.23155484237585D-16
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2 2 2 2 -0.12337890700923D+01 0.00000000000000D+00
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3 2 2 2 -0.63251985121004D-10 0.27130647871074D-16
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1 1 3 2 0.66886580358645D-12 -0.95660258951423D-16
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2 1 3 2 0.12387253716131D-09 -0.10059330356996D-15
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3 1 3 2 -0.55399126169867D+00 0.12249695649648D-15
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1 2 3 2 -0.23595645012656D-12 -0.15141402303211D-15
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2 2 3 2 -0.63251923667070D-10 -0.15610999788416D-16
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3 2 3 2 -0.29187059130752D+01 0.23093506273941D-16
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Band: 5
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1 1 1 1 -0.10622199669923D+01 0.40928632011328D-17
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2 1 1 1 -0.13565000492778D-09 -0.15920317755793D-17
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3 1 1 1 0.84588908522855D-03 -0.21017896535663D-17
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1 2 1 1 0.25462074645512D+00 -0.13136081914705D-17
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2 2 1 1 -0.12776779320014D-09 -0.14057001787770D-17
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3 2 1 1 0.12476480418288D-03 -0.30411706145027D-17
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1 1 2 1 -0.13564996416178D-09 -0.15081088113715D-17
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2 1 2 1 -0.52221514505664D+00 -0.34694469519536D-17
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3 1 2 1 -0.11503252772519D-09 0.91431056750232D-16
|
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1 2 2 1 0.12711326709740D-09 -0.39448880440181D-17
|
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2 2 2 1 -0.45770835896877D-01 0.47704895554996D-17
|
|
3 2 2 1 0.61246473839378D-10 -0.74452800075776D-17
|
|
1 1 3 1 0.84588908522858D-03 -0.13256611746049D-16
|
|
2 1 3 1 -0.11503251938954D-09 -0.77847189375115D-16
|
|
3 1 3 1 0.14169825014717D+01 0.34694469519536D-17
|
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1 2 3 1 0.12476480395691D-03 0.49810596878002D-17
|
|
2 2 3 1 -0.64985109653358D-10 0.26848136510488D-16
|
|
3 2 3 1 0.96262490051670D-01 -0.48760160914787D-16
|
|
1 1 1 2 0.25462074645512D+00 0.63924177432073D-17
|
|
2 1 1 2 0.12711325061753D-09 -0.80762035434150D-17
|
|
3 1 1 2 0.12476480395691D-03 -0.18258619592779D-17
|
|
1 2 1 2 -0.19773000563204D+00 -0.34694469519536D-17
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2 2 1 2 0.13546422492013D-09 -0.10660766474186D-17
|
|
3 2 1 2 -0.28435834280047D-03 -0.21139631127222D-17
|
|
1 1 2 2 -0.12776777845499D-09 -0.42846671608774D-17
|
|
2 1 2 2 -0.45770835896877D-01 -0.56378512934880D-17
|
|
3 1 2 2 -0.64985106290637D-10 -0.28542202404997D-16
|
|
1 2 2 2 0.13546421277707D-09 -0.36371496754665D-18
|
|
2 2 2 2 -0.16299591039211D+00 0.17347234759768D-17
|
|
3 2 2 2 0.11679541158204D-09 0.59814638701567D-17
|
|
1 1 3 2 0.12476480418289D-03 -0.23662877207687D-17
|
|
2 1 3 2 0.61246467108854D-10 -0.13608980285517D-17
|
|
3 1 3 2 0.96262490051670D-01 0.17535138347204D-16
|
|
1 2 3 2 -0.28435834280047D-03 0.47668703035226D-17
|
|
2 2 3 2 0.11679541058763D-09 -0.10535960027543D-16
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3 2 3 2 0.33077278830798D+00 0.62450045135165D-16
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Band: 6
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1 1 1 1 -0.19772937045940D+00 0.23852447794681D-17
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2 1 1 1 0.13520151215390D-09 -0.24541879632478D-17
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3 1 1 1 0.71792312589638D-03 -0.39676571740376D-17
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1 2 1 1 0.25462069628054D+00 -0.17344151252968D-16
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2 2 1 1 0.12826224663162D-09 -0.69248702284759D-17
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3 2 1 1 0.65539225192536D-04 -0.20836925937001D-16
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1 1 2 1 0.13520151562335D-09 0.15393923802131D-17
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2 1 2 1 -0.16299602415413D+00 0.69388939039072D-17
|
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3 1 2 1 0.11500375004065D-09 -0.61719718012914D-16
|
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1 2 2 1 -0.12688363806142D-09 0.70760657015904D-17
|
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2 2 2 1 -0.45770835896865D-01 -0.11275702592108D-16
|
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3 2 2 1 -0.61171738298780D-10 -0.90832116457089D-16
|
|
1 1 3 1 0.71792312589638D-03 -0.87936577415999D-19
|
|
2 1 3 1 0.11500375588687D-09 0.69009283556985D-16
|
|
3 1 3 1 0.33077222332980D+00 0.00000000000000D+00
|
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1 2 3 1 0.65539224963995D-04 -0.95758536687155D-17
|
|
2 2 3 1 0.65293105739330D-10 0.98471411911953D-17
|
|
3 2 3 1 0.96262540206688D-01 0.48614787924912D-16
|
|
1 1 1 2 0.25462069628054D+00 0.23869693078615D-16
|
|
2 1 1 2 -0.12688364500032D-09 -0.60189685834171D-17
|
|
3 1 1 2 0.65539224963987D-04 0.44089526904643D-17
|
|
1 2 1 2 -0.10622196491275D+01 0.67220534694101D-17
|
|
2 2 1 2 -0.13560692033925D-09 -0.37724524834060D-17
|
|
3 2 1 2 -0.42294979686179D-03 0.50583910008749D-16
|
|
1 1 2 2 0.12826227265248D-09 0.13355544364031D-16
|
|
2 1 2 2 -0.45770835896865D-01 0.22117724316963D-16
|
|
3 1 2 2 0.65293115038058D-10 -0.27101020601177D-18
|
|
1 2 2 2 -0.13560703136155D-09 0.31320955752818D-17
|
|
2 2 2 2 -0.52221503129864D+00 0.10408340855861D-16
|
|
3 2 2 2 -0.11644492495869D-09 -0.49878206831570D-16
|
|
1 1 3 2 0.65539225192547D-04 0.19205540480590D-16
|
|
2 1 3 2 -0.61171737170532D-10 0.78913939372747D-16
|
|
3 1 3 2 0.96262540206688D-01 0.99270388402111D-16
|
|
1 2 3 2 -0.42294979686181D-03 -0.50292530674893D-16
|
|
2 2 3 2 -0.11644494474961D-09 0.47267227771658D-16
|
|
3 2 3 2 0.14169821132967D+01 0.52041704279304D-16
|
|
Band: 7
|
|
1 1 1 1 0.14198972629246D+01 -0.20816681711722D-16
|
|
2 1 1 1 -0.10822412464686D-09 0.35348425134752D-16
|
|
3 1 1 1 -0.11756193974382D-02 0.64198328110865D-16
|
|
1 2 1 1 0.96262542441946D-01 -0.20411925116670D-15
|
|
2 2 1 1 -0.45040145111042D-10 -0.30261630876486D-16
|
|
3 2 1 1 -0.12947966499822D-03 0.34136567824696D-16
|
|
1 1 2 1 -0.10822415890764D-09 -0.34616588668325D-16
|
|
2 1 2 1 -0.52317915586543D+00 -0.30899761915837D-17
|
|
3 1 2 1 -0.15230923062024D-09 0.25644839066988D-16
|
|
1 2 2 1 0.52433949552536D-10 0.94130666819666D-16
|
|
2 2 2 1 -0.45770835844573D-01 -0.62070574418925D-17
|
|
3 2 2 1 0.14675893284010D-09 -0.51136219953316D-17
|
|
1 1 3 1 -0.11756193974382D-02 -0.61162562027905D-16
|
|
2 1 3 1 -0.15230917322529D-09 -0.23801695373763D-16
|
|
3 1 3 1 -0.10645397144115D+01 -0.97578195523695D-18
|
|
1 2 3 1 -0.12947966464901D-03 -0.12147400974498D-16
|
|
2 2 3 1 -0.14739222375261D-09 0.11261950982389D-16
|
|
3 2 3 1 0.25462069424213D+00 0.85426230415429D-17
|
|
1 1 1 2 0.96262542441947D-01 0.20151716595274D-15
|
|
2 1 1 2 0.52433952263042D-10 -0.89631227803851D-16
|
|
3 1 1 2 -0.12947966464901D-03 0.12662397006428D-16
|
|
1 2 1 2 0.32785703912502D+00 -0.43801767768414D-16
|
|
2 2 1 2 0.10005586670258D-09 0.72010303235414D-16
|
|
3 2 1 2 0.59286840993532D-03 0.13869337732635D-17
|
|
1 1 2 2 -0.45040139473190D-10 0.27795070934081D-16
|
|
2 1 2 2 -0.45770835844573D-01 0.13742262540667D-16
|
|
3 1 2 2 -0.14739224444054D-09 -0.43230570784819D-17
|
|
1 2 2 2 0.10005587808670D-09 -0.69787688781819D-16
|
|
2 2 2 2 -0.16203189953311D+00 -0.29002408113987D-17
|
|
3 2 2 2 0.15202357163275D-09 0.25168590821043D-17
|
|
1 1 3 2 -0.12947966499821D-03 -0.24866639249945D-16
|
|
2 1 3 2 0.14675892660594D-09 -0.55115592950263D-17
|
|
3 1 3 2 0.25462069424213D+00 -0.14559945098837D-16
|
|
1 2 3 2 0.59286840993532D-03 -0.17121944250092D-17
|
|
2 2 3 2 0.15202356537149D-09 -0.43057926667054D-17
|
|
3 2 3 2 -0.19540926942487D+00 0.33610267347051D-17
|
|
Band: 8
|
|
1 1 1 1 0.32785739225960D+00 0.44669129506403D-16
|
|
2 1 1 1 0.10889103562467D-09 0.16940271986128D-16
|
|
3 1 1 1 -0.38819281427162D-03 -0.18447466400606D-16
|
|
1 2 1 1 0.96262488540251D-01 0.43254561219443D-15
|
|
2 2 1 1 0.44537459222551D-10 -0.41378794250539D-16
|
|
3 2 1 1 -0.60824363012328D-04 -0.87557836213734D-17
|
|
1 1 2 1 0.10889102369845D-09 -0.16506591117134D-16
|
|
2 1 2 1 -0.16203178577684D+00 -0.24123498337802D-17
|
|
3 1 2 1 0.15217640452198D-09 0.87774209051399D-17
|
|
1 2 2 1 -0.52074658846059D-10 -0.53055995636127D-16
|
|
2 2 2 1 -0.45770835844656D-01 0.38218126618319D-17
|
|
3 2 2 1 -0.14618670327912D-09 -0.17483146183011D-16
|
|
1 1 3 1 -0.38819281427162D-03 0.18664306835103D-16
|
|
2 1 3 1 0.15217640503698D-09 -0.34106201513366D-17
|
|
3 1 3 1 -0.19540969279314D+00 0.10842021724855D-18
|
|
1 2 3 1 -0.60824362925921D-04 0.32837640640288D-16
|
|
2 2 3 1 0.14761016660829D-09 -0.78407901630233D-17
|
|
3 2 3 1 0.25462074813990D+00 0.11383825132653D-17
|
|
1 1 1 2 0.96262488540251D-01 -0.27685418022551D-15
|
|
2 1 1 2 -0.52074653425048D-10 0.53543886613745D-16
|
|
3 1 1 2 -0.60824362925934D-04 -0.32973165911849D-16
|
|
1 2 1 2 0.14198979333368D+01 0.43368086899420D-16
|
|
2 2 1 2 -0.10000139947684D-09 -0.79887844313986D-16
|
|
3 2 1 2 0.11443972914670D-03 0.35737344091134D-18
|
|
1 1 2 2 0.44537445344764D-10 0.40863798218608D-16
|
|
2 1 2 2 -0.45770835844656D-01 0.14636729290349D-17
|
|
3 1 2 2 0.14761017715215D-09 -0.44649044946871D-17
|
|
1 2 2 2 -0.10000141985984D-09 0.80646785834726D-16
|
|
2 2 2 2 -0.52317926962592D+00 0.14365678785433D-17
|
|
3 2 2 2 -0.15252344814363D-09 0.54677585964107D-17
|
|
1 1 3 2 -0.60824363012344D-04 0.17754661653003D-16
|
|
2 1 3 2 -0.14618672208325D-09 0.18946819115866D-16
|
|
3 1 3 2 0.25462074813990D+00 -0.70743894076235D-17
|
|
1 2 3 2 0.11443972914666D-03 0.46046479541468D-16
|
|
2 2 3 2 -0.15252346337667D-09 -0.36788250118097D-17
|
|
3 2 3 2 -0.10645403146580D+01 0.55294310796761D-17
|
|
K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.15398953243222D+01 0.17347234759768D-16
|
|
2 1 1 1 -0.22132322984520D-09 0.93173905718004D-17
|
|
3 1 1 1 -0.25667415249198D-09 0.56670988434957D-16
|
|
1 2 1 1 -0.16819896071728D+00 0.12240397852943D-16
|
|
2 2 1 1 0.17292736896097D-09 -0.13903443256043D-16
|
|
3 2 1 1 0.21167400089214D-09 0.31229951065176D-16
|
|
1 1 2 1 -0.22132324680958D-09 -0.12298946546136D-16
|
|
2 1 2 1 -0.22346976108915D+01 0.43368086899420D-18
|
|
3 1 2 1 -0.75149799801647D-12 0.39879749840424D-17
|
|
1 2 2 1 -0.17414813701764D-09 -0.10545804585875D-16
|
|
2 2 2 1 0.25831791921445D+00 0.63680267552262D-16
|
|
3 2 2 1 0.35474057918640D-12 0.36192408626958D-17
|
|
1 1 3 1 -0.25667416224641D-09 -0.55912046914217D-16
|
|
2 1 3 1 -0.75152401209234D-12 -0.11148392269559D-17
|
|
3 1 3 1 -0.22346976103203D+01 -0.43368086899420D-18
|
|
1 2 3 1 -0.21349664382389D-09 0.41253965283114D-16
|
|
2 2 3 1 0.34253167899394D-12 0.70602019123483D-17
|
|
3 2 3 1 0.25831791880760D+00 0.34282024482377D-16
|
|
1 1 1 2 -0.16819896071728D+00 -0.87709509009896D-17
|
|
2 1 1 2 -0.17414812734114D-09 0.95700226306380D-17
|
|
3 1 1 2 -0.21349664814715D-09 -0.47162867123160D-16
|
|
1 2 1 2 -0.24610681061506D+00 -0.69388939039072D-17
|
|
2 2 1 2 0.22048672217720D-09 -0.13075835038745D-16
|
|
3 2 1 2 0.25561395399115D-09 0.89857367472123D-18
|
|
1 1 2 2 0.17292736401430D-09 0.10705046847211D-16
|
|
2 1 2 2 0.25831791921445D+00 -0.46007772140748D-16
|
|
3 1 2 2 0.34253826552214D-12 0.23181468796513D-17
|
|
1 2 2 2 0.22048672429139D-09 0.13130045147369D-16
|
|
2 2 2 2 -0.21984776468816D+00 0.17347234759768D-17
|
|
3 2 2 2 -0.20051642968775D-13 -0.19320657323557D-18
|
|
1 1 3 2 0.21167399720585D-09 -0.28871811340020D-16
|
|
2 1 3 2 0.35474642032561D-12 -0.28531918230284D-18
|
|
3 1 3 2 0.25831791880760D+00 -0.20621077109059D-16
|
|
1 2 3 2 0.25561395084696D-09 0.40887563187121D-17
|
|
2 2 3 2 -0.20051941124372D-13 -0.29468440438290D-18
|
|
3 2 3 2 -0.21984776456511D+00 0.43368086899420D-18
|
|
Band: 2
|
|
1 1 1 1 -0.24610681062480D+00 0.17347234759768D-16
|
|
2 1 1 1 0.22088938173394D-09 -0.19298774095556D-17
|
|
3 1 1 1 0.25618985398174D-09 -0.18672596923821D-16
|
|
1 2 1 1 -0.16819896071771D+00 0.10048093827864D-17
|
|
2 2 1 1 -0.17242704768795D-09 -0.17967139892829D-16
|
|
3 2 1 1 -0.21106377404387D-09 -0.36763708687819D-16
|
|
1 1 2 1 0.22088938373971D-09 0.25261886044226D-17
|
|
2 1 2 1 -0.21984776469733D+00 0.17347234759768D-17
|
|
3 1 2 1 -0.19667521202370D-13 -0.35325800605038D-17
|
|
1 2 2 1 0.17465883615057D-09 0.17128850290154D-17
|
|
2 2 2 1 0.25831791921712D+00 -0.78951950003032D-16
|
|
3 2 2 1 0.33391041093558D-12 0.36188900681801D-17
|
|
1 1 3 1 0.25618984601286D-09 0.21491522572283D-16
|
|
2 1 3 1 -0.19661964666236D-13 0.19604869103998D-17
|
|
3 1 3 1 -0.21984776457425D+00 -0.43368086899420D-18
|
|
1 2 3 1 0.21409604479721D-09 0.24627587270757D-16
|
|
2 2 3 1 0.34576825389896D-12 0.76136324610565D-17
|
|
3 2 3 1 0.25831791881022D+00 -0.34882794147425D-16
|
|
1 1 1 2 -0.16819896071771D+00 0.94035314730744D-17
|
|
2 1 1 2 0.17465883812924D-09 0.28678691497358D-17
|
|
3 1 1 2 0.21409606115511D-09 -0.24112591238826D-16
|
|
1 2 1 2 -0.15398953243093D+01 0.34694469519536D-17
|
|
2 2 1 2 -0.22092020033199D-09 0.14208605657363D-16
|
|
3 2 1 2 -0.25608419624888D-09 -0.33793913023864D-16
|
|
1 1 2 2 -0.17242704493678D-09 0.20243964455049D-16
|
|
2 1 2 2 0.25831791921712D+00 0.82312976737738D-16
|
|
3 1 2 2 0.34575445742632D-12 -0.56349634962705D-17
|
|
1 2 2 2 -0.22092023767937D-09 -0.12094411421016D-16
|
|
2 2 2 2 -0.22346976108616D+01 -0.26020852139652D-17
|
|
3 2 2 2 -0.73051543492374D-12 -0.34387693712635D-16
|
|
1 1 3 2 -0.21106377762174D-09 0.44000758189160D-16
|
|
2 1 3 2 0.33391978928438D-12 -0.99614727772203D-17
|
|
3 1 3 2 0.25831791881022D+00 0.31521767412720D-16
|
|
1 2 3 2 -0.25608419164102D-09 0.34227593892858D-16
|
|
2 2 3 2 -0.73049709157824D-12 0.29996674914068D-16
|
|
3 2 3 2 -0.22346976102903D+01 -0.86736173798840D-18
|
|
Band: 3
|
|
1 1 1 1 -0.12235955691237D+01 -0.41633363423443D-16
|
|
2 1 1 1 -0.89664805717163D-10 0.85918533004677D-16
|
|
3 1 1 1 -0.53701088073107D-10 0.81904820472107D-16
|
|
1 2 1 1 0.15507146361149D-01 0.16724320561558D-16
|
|
2 2 1 1 -0.12952311040443D-09 0.34494785110632D-16
|
|
3 2 1 1 -0.12529918010462D-09 0.66572851517923D-16
|
|
1 1 2 1 -0.89664806367685D-10 -0.96977395164030D-16
|
|
2 1 2 1 -0.29020417495441D+01 0.00000000000000D+00
|
|
3 1 2 1 -0.26033514297952D-12 -0.23441095057753D-17
|
|
1 2 2 1 0.13168256852619D-09 0.66372844971680D-16
|
|
2 2 2 1 -0.55399126147198D+00 0.10365295300016D-15
|
|
3 2 2 1 0.67034625704179D-12 0.21671658737310D-16
|
|
1 1 3 1 -0.53701080700533D-10 -0.82121660906604D-16
|
|
2 1 3 1 -0.26035720649373D-12 0.12535609927139D-16
|
|
3 1 3 1 -0.29020417497416D+01 -0.69388939039072D-17
|
|
1 2 3 1 0.12839699072619D-09 -0.21900468974541D-15
|
|
2 2 3 1 0.65098552742637D-12 -0.39125242074143D-17
|
|
3 2 3 1 -0.55399126179826D+00 0.72913803932790D-17
|
|
1 1 1 2 0.15507146361148D-01 -0.37541002273279D-16
|
|
2 1 1 2 0.13168254261376D-09 -0.62252876716236D-16
|
|
3 1 1 2 0.12839703843109D-09 0.18626178413635D-15
|
|
1 2 1 2 0.15726538801622D-01 0.27755575615629D-16
|
|
2 2 1 2 0.94701716841434D-10 -0.75416675891534D-17
|
|
3 2 1 2 0.61000693614217D-10 -0.75296406217068D-16
|
|
1 1 2 2 -0.12952307245736D-09 -0.43385242925013D-16
|
|
2 1 2 2 -0.55399126147198D+00 -0.82836271288440D-16
|
|
3 1 2 2 0.65099300842136D-12 0.91166946353447D-17
|
|
1 2 2 2 0.94701699711040D-10 0.75416675891534D-17
|
|
2 2 2 2 -0.87601886137767D+00 0.00000000000000D+00
|
|
3 2 2 2 0.77009583403951D-12 0.17683956144535D-16
|
|
1 1 3 2 -0.12529916438369D-09 -0.11774719405924D-15
|
|
2 1 3 2 0.67034484757896D-12 -0.50511436525424D-16
|
|
3 1 3 2 -0.55399126179826D+00 0.10055854366489D-16
|
|
1 2 3 2 0.61000718550867D-10 0.59033373629786D-16
|
|
2 2 3 2 0.77010298977384D-12 -0.23972328744951D-16
|
|
3 2 3 2 -0.87601886134854D+00 0.00000000000000D+00
|
|
Band: 4
|
|
1 1 1 1 0.15726538804422D-01 -0.13877787807814D-16
|
|
2 1 1 1 0.88692811205646D-10 -0.36401806630879D-16
|
|
3 1 1 1 0.52803526618236D-10 -0.59832057491110D-16
|
|
1 2 1 1 0.15507146356398D-01 -0.21784095856654D-16
|
|
2 2 1 1 0.12931805879955D-09 -0.76998622718709D-16
|
|
3 2 1 1 0.12519909217569D-09 -0.21947014765675D-15
|
|
1 1 2 1 0.88692793858411D-10 0.30763955333955D-16
|
|
2 1 2 1 -0.87601886138459D+00 -0.69388939039072D-17
|
|
3 1 2 1 0.75877524912801D-12 -0.21277019809793D-16
|
|
1 2 2 1 -0.13182293296376D-09 0.18096014033660D-16
|
|
2 2 2 1 -0.55399126148050D+00 -0.48210649034481D-16
|
|
3 2 2 1 0.66919546996372D-12 0.31644511855445D-16
|
|
1 1 3 1 0.52803519462502D-10 0.80865579637329D-16
|
|
2 1 3 1 0.75875584190912D-12 0.60981893949963D-17
|
|
3 1 3 1 -0.87601886135812D+00 0.00000000000000D+00
|
|
1 2 3 1 -0.12849848143967D-09 -0.14032427775939D-15
|
|
2 2 3 1 0.68726780606770D-12 -0.18395307058390D-16
|
|
3 2 3 1 -0.55399126179976D+00 0.50836059132556D-16
|
|
1 1 1 2 0.15507146356398D-01 -0.12910373662882D-16
|
|
2 1 1 2 -0.13182292255542D-09 -0.16578130992180D-16
|
|
3 1 1 2 -0.12849848122283D-09 0.13685483080743D-15
|
|
1 2 1 2 -0.12235955691684D+01 -0.13877787807814D-16
|
|
2 2 1 2 -0.95509690093899D-10 -0.20214922444911D-16
|
|
3 2 1 2 -0.61979227976797D-10 0.15822028424179D-15
|
|
1 1 2 2 0.12931809913187D-09 0.86322761402084D-16
|
|
2 1 2 2 -0.55399126148050D+00 0.30863414274713D-16
|
|
3 1 2 2 0.68727713020638D-12 0.14275338802945D-16
|
|
1 2 2 2 -0.95509710964791D-10 0.12191826368518D-16
|
|
2 2 2 2 -0.29020417496669D+01 0.13877787807814D-16
|
|
3 2 2 2 -0.19048882992417D-12 0.41811217016718D-16
|
|
1 1 3 2 0.12519907428635D-09 0.21730174331178D-15
|
|
2 1 3 2 0.66920652882588D-12 -0.32728714027930D-16
|
|
3 1 3 2 -0.55399126179976D+00 -0.30019377420835D-16
|
|
1 2 3 2 -0.61979272049615D-10 -0.12786262341220D-15
|
|
2 2 3 2 -0.19042009150643D-12 -0.37908089195770D-16
|
|
3 2 3 2 -0.29020417498113D+01 0.13877787807814D-16
|
|
Band: 5
|
|
1 1 1 1 -0.51921033119250D+00 -0.13877787807814D-16
|
|
2 1 1 1 -0.13543147148436D-09 -0.46389507686383D-18
|
|
3 1 1 1 -0.12318165098893D-09 0.10388651308872D-15
|
|
1 2 1 1 -0.45770835921688D-01 -0.65052130454651D-17
|
|
2 2 1 1 0.12568254326506D-09 -0.11857030955104D-16
|
|
3 2 1 1 0.65009672400205D-10 -0.55046987923048D-16
|
|
1 1 2 1 -0.13543147782694D-09 0.82701507187595D-17
|
|
2 1 2 1 -0.10549868746393D+01 0.13877787807814D-16
|
|
3 1 2 1 0.33312882011501D-02 -0.81166121193202D-17
|
|
1 2 2 1 -0.12638045944979D-09 0.16407035467286D-17
|
|
2 2 2 1 0.25462061450747D+00 0.27742463249591D-16
|
|
3 2 2 1 0.65601227830242D-03 0.15043677512656D-16
|
|
1 1 3 1 -0.12318165388917D-09 -0.10030864591952D-15
|
|
2 1 3 1 0.33312882011501D-02 -0.70080081868526D-17
|
|
3 1 3 1 0.14078947572735D+01 -0.69388939039072D-17
|
|
1 2 3 1 -0.68775426692023D-10 0.48923216989796D-16
|
|
2 2 3 1 0.65601227741219D-03 -0.26477561875188D-17
|
|
3 2 3 1 0.96262622094806D-01 0.27550464059582D-15
|
|
1 1 1 2 -0.45770835921688D-01 0.65052130454651D-17
|
|
2 1 1 2 -0.12638047126759D-09 0.33466264467047D-17
|
|
3 1 1 2 -0.68775390317040D-10 -0.45114956858940D-16
|
|
1 2 1 2 -0.16600072422803D+00 -0.69388939039072D-17
|
|
2 2 1 2 0.13527141446866D-09 0.38073136969859D-17
|
|
3 2 1 2 0.12501001833757D-09 0.11961280041432D-15
|
|
1 1 2 2 0.12568253098647D-09 -0.19665467440859D-17
|
|
2 1 2 2 0.25462061450747D+00 -0.36416080629475D-16
|
|
3 1 2 2 0.65601227741220D-03 0.11592424110524D-16
|
|
1 2 2 2 0.13527140666240D-09 -0.56504573902112D-17
|
|
2 2 2 2 -0.20496059068323D+00 0.13877787807814D-16
|
|
3 2 2 2 -0.37876432933150D-03 -0.61105045579756D-17
|
|
1 1 3 2 0.65009672054615D-10 0.51984116785776D-16
|
|
2 1 3 2 0.65601227830242D-03 -0.11750413413731D-16
|
|
3 1 3 2 0.96262622094806D-01 -0.32451057879216D-15
|
|
1 2 3 2 0.12501002026203D-09 -0.11785097188403D-15
|
|
2 2 3 2 -0.37876432933150D-03 0.20176413568429D-17
|
|
3 2 3 2 0.33985802512403D+00 -0.69388939039072D-17
|
|
Band: 6
|
|
1 1 1 1 -0.16600408314799D+00 -0.69388939039072D-17
|
|
2 1 1 1 0.13456710461223D-09 -0.59919422273289D-17
|
|
3 1 1 1 0.12292750930631D-09 0.22057422678303D-16
|
|
1 2 1 1 -0.45770835921711D-01 0.30357660786892D-17
|
|
2 2 1 1 -0.12546843424183D-09 -0.31009550053567D-17
|
|
3 2 1 1 -0.65691732076302D-10 -0.10827610720637D-15
|
|
1 1 2 1 0.13456710276908D-09 0.72929848343115D-17
|
|
2 1 2 1 -0.20494199254349D+00 -0.69388939039072D-17
|
|
3 1 2 1 0.33483381930124D-02 -0.10783439434877D-18
|
|
1 2 2 1 0.12744571088091D-09 0.10452414575813D-18
|
|
2 2 2 1 0.25461882977519D+00 0.58961274269870D-16
|
|
3 2 2 1 -0.48579591930228D-03 -0.41575001084766D-17
|
|
1 1 3 1 0.12292751242339D-09 -0.21569531700684D-16
|
|
2 1 3 1 0.33483381930124D-02 -0.30363519058592D-17
|
|
3 1 3 1 0.33984150017804D+00 0.13877787807814D-16
|
|
1 2 3 1 0.69212651130181D-10 0.90544329531208D-16
|
|
2 2 3 1 -0.48579592149357D-03 -0.71995045418607D-18
|
|
3 2 3 1 0.96264406803138D-01 -0.51544665590941D-16
|
|
1 1 1 2 -0.45770835921711D-01 0.43368087326443D-18
|
|
2 1 1 2 0.12744569681339D-09 -0.88865617428907D-17
|
|
3 1 1 2 0.69212651306364D-10 -0.79675202752040D-16
|
|
1 2 1 2 -0.51920697227711D+00 0.00000000000000D+00
|
|
2 2 1 2 -0.13520660589284D-09 0.67762027082123D-18
|
|
3 2 1 2 -0.12405915238353D-09 -0.19422344554513D-16
|
|
1 1 2 2 -0.12546844513806D-09 -0.23742659656951D-17
|
|
2 1 2 2 0.25461882977519D+00 -0.57226550793894D-16
|
|
3 1 2 2 -0.48579592149357D-03 -0.19092398140913D-17
|
|
1 2 2 2 -0.13520669834818D-09 0.27918266811324D-17
|
|
2 2 2 2 -0.10549715752082D+01 -0.13877787807814D-16
|
|
3 2 2 2 -0.55347668657297D-02 -0.65437895085495D-17
|
|
1 1 3 2 -0.65691727712388D-10 0.10135076582962D-15
|
|
2 1 3 2 -0.48579591930228D-03 0.10039296894210D-16
|
|
3 1 3 2 0.96264406803138D-01 -0.10718253246094D-15
|
|
1 2 3 2 -0.12405914764015D-09 0.37691151160893D-16
|
|
2 2 3 2 -0.55347668657297D-02 -0.16224456113646D-16
|
|
3 2 3 2 0.14078773845023D+01 -0.13877787807814D-16
|
|
Band: 7
|
|
1 1 1 1 -0.51818841807075D+00 -0.69388939039072D-17
|
|
2 1 1 1 -0.10725778910254D-09 -0.34681478834765D-16
|
|
3 1 1 1 -0.16392317359859D-09 0.30402354852899D-17
|
|
1 2 1 1 -0.45770835851460D-01 -0.99746599822824D-17
|
|
2 2 1 1 0.50502659674234D-10 -0.39107298360727D-16
|
|
3 2 1 1 0.15854485354926D-09 0.17440820477336D-16
|
|
1 1 2 1 -0.10725781706140D-09 0.27552849550673D-16
|
|
2 1 2 1 0.14047963137660D+01 -0.69388939039072D-17
|
|
3 1 2 1 -0.61712464457954D-02 -0.71052790072411D-16
|
|
1 2 2 1 -0.54040888884509D-10 0.56352514556714D-16
|
|
2 2 2 1 0.96264438812937D-01 0.19851360815024D-15
|
|
3 2 2 1 -0.63676762992103D-03 0.19374978573749D-16
|
|
1 1 3 1 -0.16392315584478D-09 0.53763168391231D-18
|
|
2 1 3 1 -0.61712464457954D-02 0.89375806787416D-16
|
|
3 1 3 1 -0.10525191824983D+01 0.20816681711722D-16
|
|
1 2 3 1 -0.15845732046074D-09 0.88016511199650D-17
|
|
2 2 3 1 -0.63676762751601D-03 0.10843469421911D-16
|
|
3 2 3 1 0.25461879801510D+00 -0.36439256067844D-16
|
|
1 1 1 2 -0.45770835851460D-01 -0.73725747774857D-17
|
|
2 1 1 2 -0.54040873800546D-10 -0.62261416396760D-16
|
|
3 1 1 2 -0.15845734718633D-09 -0.18451050455086D-16
|
|
1 2 1 2 -0.16702263727941D+00 -0.13877787807814D-16
|
|
2 2 1 2 0.10892197189529D-09 -0.18317307261312D-17
|
|
3 2 1 2 0.16308604884403D-09 0.72836901473867D-19
|
|
1 1 2 2 0.50502669750538D-10 0.36708501054103D-16
|
|
2 1 2 2 0.96264438812937D-01 -0.26616782371333D-15
|
|
3 1 2 2 -0.63676762751600D-03 -0.13228714201379D-16
|
|
1 2 2 2 0.10892196934742D-09 0.16419953459462D-17
|
|
2 2 2 2 0.34292197280544D+00 -0.27755575615629D-16
|
|
3 2 2 2 0.33053372390786D-02 -0.34650884983412D-17
|
|
1 1 3 2 0.15854487035439D-09 0.71956591179665D-18
|
|
2 1 3 2 -0.63676762992104D-03 -0.13411866625079D-16
|
|
3 1 3 2 0.25461879801510D+00 -0.51941073555997D-17
|
|
1 2 3 2 0.16308603160522D-09 -0.30001827671847D-17
|
|
2 2 3 2 0.33053372390786D-02 0.51998119743180D-17
|
|
3 2 3 2 -0.20739378568433D+00 0.00000000000000D+00
|
|
Band: 8
|
|
1 1 1 1 -0.16701927836580D+00 -0.13877787807814D-16
|
|
2 1 1 1 0.10794260121232D-09 -0.20791942381536D-17
|
|
3 1 1 1 0.16397604712110D-09 -0.10990049968718D-17
|
|
1 2 1 1 -0.45770835851467D-01 -0.65052130382538D-17
|
|
2 2 1 1 -0.50169429671010D-10 -0.35985046737744D-16
|
|
3 2 1 1 -0.15720760419500D-09 -0.29497577381056D-17
|
|
1 1 2 1 0.10794259703814D-09 0.27839256502692D-17
|
|
2 1 2 1 0.34293787120338D+00 -0.20816681711722D-16
|
|
3 1 2 1 -0.50837994911254D-03 -0.30444194651743D-17
|
|
1 2 2 1 0.53588115581460D-10 0.38351122338739D-16
|
|
2 2 2 1 0.96262591003619D-01 0.45075114134733D-16
|
|
3 2 2 1 0.46655127222793D-03 -0.63735946334004D-16
|
|
1 1 3 1 0.16397604538638D-09 0.29421486900972D-17
|
|
2 1 3 1 -0.50837994911254D-03 0.25294234332437D-17
|
|
3 1 3 1 -0.20741175731841D+00 -0.13877787807814D-16
|
|
1 2 3 1 0.15863031496625D-09 -0.72338020311404D-17
|
|
2 2 3 1 0.46655127290257D-03 0.12508515003518D-16
|
|
3 2 3 1 0.25462064582961D+00 0.34578743595346D-17
|
|
1 1 1 2 -0.45770835851467D-01 0.86736173832248D-17
|
|
2 1 1 2 0.53588125386713D-10 -0.47756576185051D-16
|
|
3 1 1 2 0.15863032862720D-09 0.28427832325741D-17
|
|
1 2 1 2 -0.51819177698884D+00 -0.13877787807814D-16
|
|
2 2 1 2 -0.10920733098237D-09 -0.23561996791588D-16
|
|
3 2 1 2 -0.16421983425269D-09 0.51047693851100D-17
|
|
1 1 2 2 -0.50169429982718D-10 0.29181678105397D-16
|
|
2 1 2 2 0.96262591003620D-01 0.60992284065831D-17
|
|
3 1 2 2 0.46655127290257D-03 -0.48242321060271D-17
|
|
1 2 2 2 -0.10920734089604D-09 0.22179639021669D-16
|
|
2 2 2 2 0.14048155108849D+01 0.69388939039072D-17
|
|
3 2 2 2 0.26081939554217D-02 -0.23311098156317D-15
|
|
1 1 3 2 -0.15720756803686D-09 0.34767252414035D-18
|
|
2 1 3 2 0.46655127222794D-03 0.66324479020813D-16
|
|
3 1 3 2 0.25462064582961D+00 -0.19070385643326D-16
|
|
1 2 3 2 -0.16421975291043D-09 -0.53216098196071D-17
|
|
2 2 3 2 0.26081939554217D-02 0.19085420189054D-15
|
|
3 2 3 2 -0.10525363064140D+01 0.69388939039072D-17
|
|
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.21884102668553D+01 -0.55836411883003D-17
|
|
2 1 1 1 -0.62277259478868D-12 0.75471113777498D-17
|
|
3 1 1 1 -0.28424923028328D-09 -0.44674453746465D-16
|
|
1 2 1 1 0.25831791915024D+00 0.68318751163321D-16
|
|
2 2 1 1 0.28389080279038D-12 0.36610957577891D-16
|
|
3 2 1 1 -0.22649722360086D-09 -0.12054123580288D-16
|
|
1 1 2 1 -0.62278654838593D-12 -0.12751281805680D-16
|
|
2 1 2 1 -0.21884102669754D+01 -0.24530074152485D-17
|
|
3 1 2 1 -0.27303040097576D-09 -0.99678851252217D-16
|
|
1 2 2 1 0.28787250624160D-12 -0.28964934029670D-16
|
|
2 2 2 1 0.25831791923576D+00 0.80866778947222D-16
|
|
3 2 2 1 -0.21501048117187D-09 -0.46207901720613D-16
|
|
1 1 3 1 -0.28424925456941D-09 0.44674453746465D-16
|
|
2 1 3 1 -0.27303041783510D-09 0.10455098476482D-15
|
|
3 1 3 1 -0.15101729934095D+01 0.00000000000000D+00
|
|
1 2 3 1 0.22479113069517D-09 -0.33021411433068D-17
|
|
2 2 3 1 0.21350030808071D-09 -0.12016871552311D-16
|
|
3 2 3 1 -0.16819896086478D+00 0.26410869997899D-16
|
|
1 1 1 2 0.25831791915024D+00 -0.81320706903674D-16
|
|
2 1 1 2 0.28786428324575D-12 0.43710083575473D-16
|
|
3 1 1 2 0.22479116506438D-09 0.36971307991238D-18
|
|
1 2 1 2 -0.26613510851355D+00 -0.17618285302889D-17
|
|
2 2 1 2 -0.10894877426572D-13 0.14320261648153D-17
|
|
3 2 1 2 0.28322728298774D-09 0.48538203865013D-17
|
|
1 1 2 2 0.28388504635447D-12 -0.23166850639071D-16
|
|
2 1 2 2 0.25831791923576D+00 -0.86548675957404D-16
|
|
3 1 2 2 0.21350030482810D-09 0.10742086966693D-16
|
|
1 2 2 2 -0.10895592322379D-13 -0.49014731167689D-17
|
|
2 2 2 2 -0.26613510854132D+00 -0.40522056196646D-17
|
|
3 2 2 2 0.27204484556254D-09 0.22195237350638D-17
|
|
1 1 3 2 -0.22649723162396D-09 0.11288405795970D-16
|
|
2 1 3 2 -0.21501046035519D-09 0.44210598030987D-16
|
|
3 1 3 2 -0.16819896086478D+00 -0.73289117621542D-17
|
|
1 2 3 2 0.28322727995197D-09 -0.75473851587700D-17
|
|
2 2 3 2 0.27204484946567D-09 -0.55595102665638D-18
|
|
3 2 3 2 -0.27582914136059D+00 -0.69388939039072D-17
|
|
Band: 2
|
|
1 1 1 1 -0.26613510852476D+00 0.48789097761848D-18
|
|
2 1 1 1 -0.16415116374791D-13 -0.14602517623596D-17
|
|
3 1 1 1 0.28375514515278D-09 0.11117824312119D-16
|
|
1 2 1 1 0.25831791915253D+00 0.63467122472144D-17
|
|
2 2 1 1 0.30435702241149D-12 0.84254863711311D-17
|
|
3 2 1 1 0.22711163149956D-09 -0.89460747297865D-17
|
|
1 1 2 1 -0.16411301338396D-13 -0.20091951895940D-17
|
|
2 1 2 1 -0.26613510855258D+00 -0.31577388273640D-17
|
|
3 1 2 1 0.27253966122640D-09 0.11252654397518D-16
|
|
1 2 2 1 0.30064080221209D-12 -0.20858580126554D-19
|
|
2 2 2 1 0.25831791923832D+00 -0.57072888115123D-16
|
|
3 2 2 1 0.21559716671795D-09 0.11034546446090D-16
|
|
1 1 3 1 0.28375514255069D-09 -0.10087832248258D-16
|
|
2 1 3 1 0.27253966296113D-09 -0.12470687775669D-16
|
|
3 1 3 1 -0.27582914137143D+00 0.00000000000000D+00
|
|
1 2 3 1 -0.22416762531323D-09 0.76906655951293D-17
|
|
2 2 3 1 -0.21290006623850D-09 0.18260851183513D-16
|
|
3 2 3 1 -0.16819896086393D+00 0.52638114934328D-16
|
|
1 1 1 2 0.25831791915253D+00 -0.52930032608300D-17
|
|
2 1 1 2 0.30062437654917D-12 -0.41282228886765D-18
|
|
3 1 1 2 -0.22416762466271D-09 -0.46176300624907D-17
|
|
1 2 1 2 -0.21884102668286D+01 0.37133924407629D-17
|
|
2 2 1 2 -0.69281341939060D-12 -0.76800468865855D-17
|
|
3 2 1 2 -0.28371980368015D-09 -0.35831823801401D-16
|
|
1 1 2 2 0.30436296180652D-12 0.63196631746718D-17
|
|
2 1 2 2 0.25831791923832D+00 0.35990661574437D-16
|
|
3 1 2 2 -0.21290006753955D-09 -0.11407507607279D-16
|
|
1 2 2 2 -0.69277847186998D-12 0.59453234106087D-17
|
|
2 2 2 2 -0.21884102669480D+01 -0.30730355326386D-17
|
|
3 2 2 2 -0.27252065458715D-09 0.83720913166337D-16
|
|
1 1 3 2 0.22711161740493D-09 0.59221671080887D-17
|
|
2 1 3 2 0.21559716932003D-09 -0.13088601343182D-16
|
|
3 1 3 2 -0.16819896086393D+00 -0.37892965388525D-16
|
|
1 2 3 2 -0.28371979240445D-09 0.35581102049013D-16
|
|
2 2 3 2 -0.27252069421474D-09 -0.79533182275112D-16
|
|
3 2 3 2 -0.15101729933984D+01 -0.34694469519536D-17
|
|
Band: 3
|
|
1 1 1 1 -0.27857887499347D+01 0.78062556418956D-17
|
|
2 1 1 1 -0.52623048523182D-13 -0.42841879426702D-16
|
|
3 1 1 1 -0.96734954842808D-10 0.10927807414854D-15
|
|
1 2 1 1 -0.55399126193090D+00 -0.15650344943785D-16
|
|
2 2 1 1 0.67451354806453D-12 0.27173579418572D-16
|
|
3 2 1 1 0.15478338829490D-09 0.10702713055272D-15
|
|
1 1 2 1 -0.52533235925719D-13 0.28964091618888D-16
|
|
2 1 2 1 -0.27857887498584D+01 0.21684043449710D-17
|
|
3 1 2 1 -0.10641071786327D-09 0.26056031127199D-16
|
|
1 2 2 1 0.65958573955579D-12 -0.70260587229616D-16
|
|
2 2 2 1 -0.55399126188933D+00 -0.30556080454170D-16
|
|
3 2 2 1 0.15521350570927D-09 -0.10117441670328D-16
|
|
1 1 3 1 -0.96734972623724D-10 -0.12505321575820D-15
|
|
2 1 3 1 -0.10641071916432D-09 -0.19523713037974D-16
|
|
3 1 3 1 -0.11524833846125D+01 -0.13877787807814D-16
|
|
1 2 3 1 -0.15181145149687D-09 -0.41393080119245D-16
|
|
2 2 3 1 -0.15270461202814D-09 -0.47505306700180D-16
|
|
3 2 3 1 0.15507146186022D-01 0.11844472975427D-16
|
|
1 1 1 2 -0.55399126193090D+00 -0.59252782886767D-17
|
|
2 1 1 2 0.65963154709757D-12 0.42505011613987D-16
|
|
3 1 1 2 -0.15181145301475D-09 0.45079367505695D-16
|
|
1 2 1 2 -0.99227186180941D+00 -0.17347234759768D-17
|
|
2 2 1 2 0.81436140984863D-12 -0.60705529465064D-17
|
|
3 2 1 2 0.10332361959856D-09 0.69420370246561D-16
|
|
1 1 2 2 0.67456949289663D-12 0.87318169995897D-16
|
|
2 1 2 2 -0.55399126188933D+00 0.61618472695880D-16
|
|
3 1 2 2 -0.15270463392903D-09 0.50053181805521D-16
|
|
1 2 2 2 0.81435983775548D-12 0.60705529465064D-17
|
|
2 2 2 2 -0.99227186183216D+00 0.74809949901500D-17
|
|
3 2 2 2 0.11245709194771D-09 -0.55061843691782D-16
|
|
1 1 3 2 0.15478340217269D-09 -0.90493047422315D-16
|
|
2 1 3 2 0.15521354387318D-09 0.26922575343853D-16
|
|
3 1 3 2 0.15507146186022D-01 -0.46538942494963D-16
|
|
1 2 3 2 0.10332362827218D-09 -0.68986689377567D-16
|
|
2 2 3 2 0.11245709541716D-09 0.72924074483481D-16
|
|
3 2 3 2 -0.55385645641274D-01 -0.69388939039072D-17
|
|
Band: 4
|
|
1 1 1 1 -0.99227186183081D+00 0.20599841277225D-16
|
|
2 1 1 1 0.78950532961966D-12 -0.15925594968057D-16
|
|
3 1 1 1 0.95859467440452D-10 -0.50094402708282D-16
|
|
1 2 1 1 -0.55399126193438D+00 0.11136296178822D-15
|
|
2 2 1 1 0.54537701143249D-12 0.20688069415437D-17
|
|
3 2 1 1 -0.15490159141686D-09 -0.60886716586801D-16
|
|
1 1 2 1 0.78946998462884D-12 -0.11829980647572D-16
|
|
2 1 2 1 -0.99227186183065D+00 0.12956215961202D-16
|
|
3 1 2 1 0.10559628373157D-09 0.19117698471113D-16
|
|
1 2 2 1 0.55925122086411D-12 -0.38925284334330D-16
|
|
2 2 2 1 -0.55399126189025D+00 -0.29227121174660D-16
|
|
3 2 2 1 -0.15537254655113D-09 0.24966613088814D-16
|
|
1 1 3 1 0.95859476114069D-10 0.66194804969691D-16
|
|
2 1 3 1 0.10559627852740D-09 -0.16217457659714D-16
|
|
3 1 3 1 -0.55385645643034D-01 -0.34694469519536D-17
|
|
1 2 3 1 0.15170297782458D-09 0.13111184081800D-15
|
|
2 2 3 1 0.15260064960242D-09 -0.10710899573790D-17
|
|
3 2 3 1 0.15507146182222D-01 0.13624495558683D-16
|
|
1 1 1 2 -0.55399126193438D+00 -0.10892350690012D-15
|
|
2 1 1 2 0.55924130041423D-12 -0.23524760800835D-16
|
|
3 1 1 2 0.15170297782458D-09 -0.12536556930382D-15
|
|
1 2 1 2 -0.27857887500389D+01 0.10842021724855D-17
|
|
2 2 1 2 -0.36787621533295D-12 -0.40768004656843D-16
|
|
3 2 1 2 -0.10428741623111D-09 -0.73791764378272D-16
|
|
1 1 2 2 0.54536215786272D-12 -0.12477147797405D-16
|
|
2 1 2 2 -0.55399126189025D+00 -0.11034346006220D-17
|
|
3 1 2 2 0.15260064266352D-09 0.98977479444255D-18
|
|
1 2 2 2 -0.36792566850454D-12 0.54645792464658D-16
|
|
2 2 2 2 -0.27857887499556D+01 -0.80230960763927D-17
|
|
3 2 2 2 -0.11346152969730D-09 0.34594967717937D-16
|
|
1 1 3 2 -0.15490158903161D-09 0.68692972228697D-16
|
|
2 1 3 2 -0.15537257040358D-09 0.62055818184383D-18
|
|
3 1 3 2 0.15507146182222D-01 -0.55257858982126D-16
|
|
1 2 3 2 -0.10428750903881D-09 0.66798660365740D-16
|
|
2 2 3 2 -0.11346152275841D-09 -0.26734501967417D-16
|
|
3 2 3 2 -0.11524833846605D+01 0.69388939039072D-17
|
|
Band: 5
|
|
1 1 1 1 -0.10141507334063D+01 0.30086610286473D-17
|
|
2 1 1 1 -0.64796349374436D-02 -0.60517583625882D-16
|
|
3 1 1 1 -0.17111510591182D-09 0.38223391541279D-18
|
|
1 2 1 1 0.25462032537084D+00 -0.85052769483525D-16
|
|
2 2 1 1 -0.16921530309350D-02 -0.15894704840057D-16
|
|
3 2 1 1 -0.16058550743109D-09 -0.24731262406595D-17
|
|
1 1 2 1 -0.64796349374436D-02 0.55313413197952D-16
|
|
2 1 2 1 0.13565864707030D+01 0.85001450322864D-16
|
|
3 1 2 1 -0.13362524387676D-09 0.47130227434167D-17
|
|
1 2 2 1 -0.16921530312579D-02 0.33418696025728D-19
|
|
2 2 2 1 0.96262911778621D-01 -0.16430537590622D-16
|
|
3 2 2 1 -0.53594874089904D-10 -0.59958068195943D-16
|
|
1 1 3 1 -0.17111509165795D-09 0.65634362520725D-17
|
|
2 1 3 1 -0.13362529136482D-09 -0.22007230218604D-17
|
|
3 1 3 1 -0.50224388526004D+00 0.20261028098323D-17
|
|
1 2 3 1 0.15988774963616D-09 -0.40746926207688D-17
|
|
2 2 3 1 0.62328452661835D-10 0.12249770050295D-15
|
|
3 2 3 1 -0.45770835933714D-01 -0.20281356896765D-16
|
|
1 1 1 2 0.25462032537084D+00 0.74505515224315D-16
|
|
2 1 1 2 -0.16921530312579D-02 -0.46709956501993D-18
|
|
3 1 1 2 0.15988773547377D-09 -0.11304037569580D-16
|
|
1 2 1 2 -0.24579123931581D+00 -0.73454697185893D-17
|
|
2 2 1 2 -0.11362624949279D-02 0.78085635200523D-17
|
|
3 2 1 2 0.17079351474652D-09 -0.20674145337603D-17
|
|
1 1 2 2 -0.16921530309350D-02 0.12642098322600D-16
|
|
2 1 2 2 0.96262911778621D-01 0.71941688821880D-16
|
|
3 1 2 2 0.62328452228154D-10 -0.13409400506733D-15
|
|
1 2 2 2 -0.11362624949279D-02 -0.43391165680986D-17
|
|
2 2 2 2 0.39116081999054D+00 -0.10408340855861D-16
|
|
3 2 2 2 0.12389108989271D-09 0.13333875945484D-16
|
|
1 1 3 2 -0.16058551257935D-09 0.18598743868474D-17
|
|
2 1 3 2 -0.53594885365607D-10 0.62108261332548D-16
|
|
3 1 3 2 -0.45770835933714D-01 0.57191664675694D-17
|
|
1 2 3 2 0.17079352531072D-09 0.66413924489335D-17
|
|
2 2 3 2 0.12389108664011D-09 -0.15041494367149D-16
|
|
3 2 3 2 -0.18296716994343D+00 0.44316763800345D-17
|
|
Band: 6
|
|
1 1 1 1 -0.24579067616130D+00 0.59902170029824D-17
|
|
2 1 1 1 -0.44291591117546D-04 0.35436917080533D-17
|
|
3 1 1 1 0.17060116287302D-09 -0.65776874077054D-17
|
|
1 2 1 1 0.25462037555620D+00 -0.18113419490833D-16
|
|
2 2 1 1 0.13419757806289D-02 0.94014657883031D-17
|
|
3 2 1 1 0.16114959832634D-09 -0.14110562343154D-16
|
|
1 1 2 1 -0.44291591117551D-04 -0.94160649408804D-18
|
|
2 1 2 1 0.39116003956485D+00 -0.72858385991026D-16
|
|
3 1 2 1 0.13275334528776D-09 0.27964093840178D-17
|
|
1 2 2 1 0.13419757805986D-02 -0.23401144483716D-16
|
|
2 2 2 1 0.96262861568241D-01 -0.19855212277434D-15
|
|
3 2 2 1 0.54267840518480D-10 -0.72831587427963D-16
|
|
1 1 3 1 0.17060116763673D-09 0.47887538231043D-17
|
|
2 1 3 1 0.13275335439505D-09 0.79458679586677D-18
|
|
3 1 3 1 -0.18296681800474D+00 -0.12603850255144D-17
|
|
1 2 3 1 -0.15980798770844D-09 -0.12858031568499D-16
|
|
2 2 3 1 -0.59999636976914D-10 0.61649849850932D-16
|
|
3 2 3 1 -0.45770835933790D-01 0.10825081070623D-16
|
|
1 1 1 2 0.25462037555620D+00 -0.17902421426420D-16
|
|
2 1 1 2 0.13419757805986D-02 0.23184304049219D-16
|
|
3 1 1 2 -0.15980799464395D-09 0.82738892579589D-17
|
|
1 2 1 2 -0.10141522496575D+01 0.14636729328554D-17
|
|
2 2 1 2 0.60841412433174D-02 0.67881115487857D-16
|
|
3 2 1 2 -0.17083820778944D-09 -0.58319501483265D-17
|
|
1 1 2 2 0.13419757806289D-02 -0.85341040503147D-17
|
|
2 1 2 2 0.96262861568241D-01 -0.58186951670232D-16
|
|
3 1 2 2 -0.59999634591669D-10 -0.59654663743674D-16
|
|
1 2 2 2 0.60841412433173D-02 -0.66146392011880D-16
|
|
2 2 2 2 0.13565882041098D+01 -0.36429192995513D-16
|
|
3 2 2 2 -0.12507859307227D-09 0.84832719215746D-16
|
|
1 1 3 2 0.16114960775890D-09 -0.26742425396369D-17
|
|
2 1 3 2 0.54267849083678D-10 0.71600425039129D-16
|
|
3 1 3 2 -0.45770835933790D-01 -0.49636130756234D-17
|
|
1 2 3 2 -0.17083820557190D-09 -0.11476013370490D-17
|
|
2 2 3 2 -0.12507857789344D-09 -0.83492289576716D-16
|
|
3 2 3 2 -0.50224423720474D+00 0.71286292840922D-17
|
|
Band: 7
|
|
1 1 1 1 0.13651724824213D+01 0.27755575615629D-16
|
|
2 1 1 1 0.74045286491818D-02 -0.96877466656155D-17
|
|
3 1 1 1 -0.12244455371323D-09 0.54247134610928D-16
|
|
1 2 1 1 0.96263021879520D-01 0.12490566088794D-15
|
|
2 2 1 1 0.17025653969291D-02 0.40294155079563D-17
|
|
3 2 1 1 -0.75374242247134D-10 -0.69209519107207D-16
|
|
1 1 2 1 0.74045286491818D-02 0.14676754774309D-18
|
|
2 1 2 1 -0.10209837034431D+01 0.33610267347051D-17
|
|
3 1 2 1 -0.15879847382562D-09 0.17494718754422D-16
|
|
1 2 2 1 0.17025653973113D-02 0.63971551691836D-17
|
|
2 2 2 1 0.25462021520249D+00 -0.49384271094469D-16
|
|
3 2 2 1 -0.14868757475987D-09 -0.25563808661784D-17
|
|
1 1 3 1 -0.12244452790922D-09 -0.53921873959182D-16
|
|
2 1 3 1 -0.15879850435946D-09 -0.13320540390352D-16
|
|
3 1 3 1 -0.50508407584130D+00 0.10842021724855D-17
|
|
1 2 3 1 0.58220193169586D-10 -0.11641053185552D-15
|
|
2 2 3 1 0.14784731066141D-09 -0.80762147723940D-17
|
|
3 2 3 1 -0.45770835951710D-01 0.15720931604572D-17
|
|
1 1 1 2 0.96263021879520D-01 -0.14398761912368D-15
|
|
2 1 1 2 0.17025653973113D-02 -0.10950804293623D-16
|
|
3 1 1 2 0.58220182869666D-10 0.97247258456842D-16
|
|
1 2 1 2 0.38257271487068D+00 -0.27755575615629D-16
|
|
2 2 1 2 0.25823186475031D-03 0.12854021729978D-17
|
|
3 2 1 2 0.13673608769904D-09 -0.15412389858851D-16
|
|
1 1 2 2 0.17025653969291D-02 -0.53304581149389D-17
|
|
2 1 2 2 0.25462021520249D+00 -0.46089970953089D-17
|
|
3 1 2 2 0.14784731310087D-09 0.54741295584287D-17
|
|
1 2 2 2 0.25823186475030D-03 0.21840447789558D-17
|
|
2 2 2 2 -0.23895617616504D+00 0.11275702593849D-16
|
|
3 2 2 2 0.15867777321524D-09 0.17309548806559D-17
|
|
1 1 3 2 -0.75374245066060D-10 0.78099976921588D-16
|
|
2 1 3 2 -0.14868759964231D-09 -0.56022404817750D-17
|
|
3 1 3 2 -0.45770835951710D-01 -0.16263032690814D-17
|
|
1 2 3 2 0.13673608813272D-09 0.16821852683082D-16
|
|
2 2 3 2 0.15867776974579D-09 0.15216516368006D-17
|
|
3 2 3 2 -0.18012697938270D+00 -0.65594231435373D-17
|
|
Band: 8
|
|
1 1 1 1 0.38257424492858D+00 -0.53776427755281D-16
|
|
2 1 1 1 -0.88060212153910D-03 0.95319734900357D-18
|
|
3 1 1 1 0.12220925154626D-09 0.94570634064880D-16
|
|
1 2 1 1 0.96262751276768D-01 0.85960826091115D-16
|
|
2 2 1 1 -0.13523881454070D-02 0.15914235673359D-16
|
|
3 2 1 1 0.76298028439326D-10 0.30721587698846D-16
|
|
1 1 2 1 -0.88060212153910D-03 -0.85835611015169D-19
|
|
2 1 2 1 -0.23895748901339D+00 0.36862873864507D-17
|
|
3 1 2 1 0.15872704202219D-09 0.80980891090447D-17
|
|
1 2 2 1 -0.13523881454357D-02 0.58009699986393D-17
|
|
2 2 2 1 0.25462048580877D+00 -0.46915859593679D-16
|
|
3 2 2 1 0.14879233720619D-09 -0.13992279333878D-16
|
|
1 1 3 1 0.12220924417368D-09 -0.90423560755123D-16
|
|
2 1 3 1 0.15872703063807D-09 -0.88028205211603D-17
|
|
3 1 3 1 -0.18012733132840D+00 -0.11384122811098D-17
|
|
1 2 3 1 -0.57805177564185D-10 0.79451483048135D-16
|
|
2 2 3 1 -0.14731144949030D-09 -0.99435517145479D-17
|
|
3 2 3 1 -0.45770835951818D-01 -0.16208822489614D-16
|
|
1 1 1 2 0.96262751276768D-01 -0.77287208711231D-16
|
|
2 1 1 2 -0.13523881454357D-02 -0.47167678261538D-17
|
|
3 1 1 2 -0.57805158915908D-10 -0.88070890319395D-16
|
|
1 2 1 2 0.13651760918198D+01 0.55511151231258D-16
|
|
2 2 1 2 -0.52061106137577D-02 0.22058651079124D-16
|
|
3 2 1 2 -0.13700257013212D-09 0.13850363481414D-15
|
|
1 1 2 2 -0.13523881454070D-02 -0.16564756976850D-16
|
|
2 1 2 2 0.25462048580877D+00 0.21599738866143D-16
|
|
3 1 2 2 -0.14731143737434D-09 0.30046578106407D-17
|
|
1 2 2 2 -0.52061106137577D-02 -0.25528098031078D-16
|
|
2 2 2 2 -0.10209875301545D+01 0.32526065174565D-18
|
|
3 2 2 2 -0.15919958581826D-09 0.21078222089536D-16
|
|
1 1 3 2 0.76298019874128D-10 -0.29854225960857D-16
|
|
2 1 3 2 0.14879234490402D-09 -0.81254449848259D-17
|
|
3 1 3 2 -0.45770835951818D-01 0.10245710540944D-16
|
|
1 2 3 2 -0.13700258314254D-09 -0.11221173213137D-15
|
|
2 2 3 2 -0.15919962872556D-09 -0.20156650242924D-16
|
|
3 2 3 2 -0.50508372390140D+00 -0.67762635780344D-17
|
|
K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.61761112749530D+01 0.81332616447338D-17
|
|
2 1 1 1 -0.13494899052119D-11 -0.85001758816998D-16
|
|
3 1 1 1 -0.17618450474330D-11 -0.89166163566540D-17
|
|
1 2 1 1 0.45103553221232D+00 0.10287142223498D-16
|
|
2 2 1 1 0.76965413830530D-12 -0.18032506931297D-17
|
|
3 2 1 1 0.10227179563091D-11 -0.51068181031612D-16
|
|
1 1 2 1 -0.13495505616932D-11 0.74416828135247D-16
|
|
2 1 2 1 -0.61761112752066D+01 0.69339324745931D-18
|
|
3 1 2 1 -0.17553107929888D-11 0.27741420345549D-16
|
|
1 2 2 1 0.77717659200155D-12 0.62707682586536D-17
|
|
2 2 2 1 0.45103553241047D+00 -0.45287516446669D-17
|
|
3 2 2 1 0.99448807567563D-12 -0.86787373111943D-17
|
|
1 1 3 1 -0.17618211716894D-11 0.95796744095091D-17
|
|
2 1 3 1 -0.17552618198223D-11 -0.25766364505679D-16
|
|
3 1 3 1 -0.61761112738990D+01 -0.65363398413634D-18
|
|
1 2 3 1 0.99483343676811D-12 0.19366765645793D-17
|
|
2 2 3 1 0.95986948652495D-12 0.73571567335295D-17
|
|
3 2 3 1 0.45103553144117D+00 0.10612132621857D-16
|
|
1 1 1 2 0.45103553221232D+00 -0.10225675311059D-16
|
|
2 1 1 2 0.77717321102111D-12 -0.61414473845243D-17
|
|
3 1 1 2 0.99483911852621D-12 -0.16554526046524D-17
|
|
1 2 1 2 -0.51606386902853D-01 0.15691616220131D-20
|
|
2 2 1 2 -0.90327148954623D-13 0.17041543343510D-17
|
|
3 2 1 2 -0.12362912363169D-12 0.52047473767174D-17
|
|
1 1 2 2 0.76965373381127D-12 0.17281492075572D-17
|
|
2 1 2 2 0.45103553241047D+00 0.42394938739862D-17
|
|
3 1 2 2 0.95986911062182D-12 -0.79823729277216D-17
|
|
1 2 2 2 -0.90326912563032D-13 -0.17115170689834D-17
|
|
2 2 2 2 -0.51606386934032D-01 0.39663310371918D-20
|
|
3 2 2 2 -0.12012967060261D-12 0.11668755694539D-17
|
|
1 1 3 2 0.10227297487831D-11 0.50895874010891D-16
|
|
2 1 3 2 0.99448423452318D-12 0.87966866490994D-17
|
|
3 1 3 2 0.45103553144117D+00 -0.10846230603022D-16
|
|
1 2 3 2 -0.12362990420665D-12 -0.52127544850470D-17
|
|
2 2 3 2 -0.12013010081147D-12 -0.11699195941081D-17
|
|
3 2 3 2 -0.51606386780591D-01 -0.12465611831174D-20
|
|
Band: 2
|
|
1 1 1 1 -0.51606386905676D-01 0.13418523896835D-19
|
|
2 1 1 1 -0.11216070732625D-12 0.14846016601007D-18
|
|
3 1 1 1 -0.12376721859647D-12 -0.11840464022880D-17
|
|
1 2 1 1 0.45103553223210D+00 -0.43191119736910D-17
|
|
2 2 1 1 0.86141099709262D-12 -0.69421365959752D-18
|
|
3 2 1 1 0.97506072361758D-12 -0.56398152924157D-17
|
|
1 1 2 1 -0.11216089948630D-12 -0.14146718111154D-18
|
|
2 1 2 1 -0.51606386936852D-01 -0.17726480527011D-19
|
|
3 1 2 1 -0.11447103341443D-12 0.66321042959486D-18
|
|
1 2 2 1 0.85434903949406D-12 0.18012923743009D-17
|
|
2 2 2 1 0.45103553243031D+00 -0.19313442856997D-16
|
|
3 2 2 1 0.90836293681159D-12 -0.70041971420715D-17
|
|
1 1 3 1 -0.12376719353199D-12 0.11709025023546D-17
|
|
2 1 3 1 -0.11447085541384D-12 -0.66371335540729D-18
|
|
3 1 3 1 -0.51606386783401D-01 0.85944065644260D-21
|
|
1 2 3 1 0.10031074044708D-11 -0.35405978281120D-16
|
|
2 2 3 1 0.94378796473408D-12 -0.24977575918062D-17
|
|
3 2 3 1 0.45103553146091D+00 0.13247285383825D-16
|
|
1 1 1 2 0.45103553223210D+00 0.43832052621234D-17
|
|
2 1 1 2 0.85434879995547D-12 -0.17746793890556D-17
|
|
3 1 1 2 0.10031064415676D-11 0.35401043192339D-16
|
|
1 2 1 2 -0.61761112750893D+01 -0.19794092914343D-17
|
|
2 2 1 2 -0.15928916435231D-11 0.60614166353816D-17
|
|
3 2 1 2 -0.16742681197755D-11 -0.20251184025374D-15
|
|
1 1 2 2 0.86140560863220D-12 0.74721768718991D-18
|
|
2 1 2 2 0.45103553243031D+00 0.19359939661506D-16
|
|
3 1 2 2 0.94378237119327D-12 0.23575736390356D-17
|
|
1 2 2 2 -0.15929503495156D-11 0.13162452982870D-17
|
|
2 2 2 2 -0.61761112753445D+01 0.10175347238362D-17
|
|
3 2 2 2 -0.15671336752341D-11 -0.46332825108079D-17
|
|
1 1 3 2 0.97505746290404D-12 0.53451281925376D-17
|
|
2 1 3 2 0.90836003111033D-12 0.65554814382636D-17
|
|
3 1 3 2 0.45103553146091D+00 -0.13153560159406D-16
|
|
1 2 3 2 -0.16742513969541D-11 0.19925075927091D-15
|
|
2 2 3 2 -0.15672122041437D-11 0.47042479899200D-17
|
|
3 2 3 2 -0.61761112740359D+01 -0.38233189539069D-17
|
|
Band: 3
|
|
1 1 1 1 0.15891413474769D+01 -0.20816681711722D-16
|
|
2 1 1 1 0.13303865029565D+01 -0.74791600083593D-16
|
|
3 1 1 1 0.72202674476067D+00 0.55307661180158D-16
|
|
1 2 1 1 -0.18450636959497D+00 0.71063300951970D-16
|
|
2 2 1 1 -0.16967080259477D+00 0.42247578583440D-16
|
|
3 2 1 1 -0.87720353419181D-01 -0.50882212445562D-16
|
|
1 1 2 1 0.13303865029565D+01 0.74791600083593D-16
|
|
2 1 2 1 0.61745152642714D+00 -0.17347234759768D-17
|
|
3 1 2 1 0.48631278843552D+00 0.82311193228379D-16
|
|
1 2 2 1 -0.16967080260052D+00 0.29018173090541D-16
|
|
2 2 2 1 -0.17952665540917D+00 0.79071236694757D-17
|
|
3 2 2 1 -0.96988121027338D-01 -0.36826524996113D-16
|
|
1 1 3 1 0.72202674476067D+00 -0.48368767276251D-16
|
|
2 1 3 1 0.48631278843552D+00 -0.85780640180333D-16
|
|
3 1 3 1 0.15829325339980D-01 0.52041704279304D-17
|
|
1 2 3 1 -0.87720353428793D-01 0.13029254231610D-16
|
|
2 2 3 1 -0.96988120904833D-01 -0.31456498461156D-16
|
|
3 2 3 1 -0.35198869032098D-01 -0.28374957711350D-16
|
|
1 1 1 2 -0.18450636959497D+00 -0.74343012523738D-16
|
|
2 1 1 2 -0.16967080260052D+00 -0.27717130483558D-16
|
|
3 1 1 2 -0.87720353428793D-01 -0.11728211624627D-16
|
|
1 2 1 2 -0.41665676135047D-01 -0.17347234759768D-16
|
|
2 2 1 2 0.29145442422174D+00 0.50105270825707D-16
|
|
3 2 1 2 0.11647025784173D+00 0.16652387625332D-16
|
|
1 1 2 2 -0.16967080259477D+00 -0.43873881842169D-16
|
|
2 1 2 2 -0.17952665540917D+00 0.12001745794025D-17
|
|
3 1 2 2 -0.96988120904833D-01 0.39479594537549D-16
|
|
1 2 2 2 0.29145442422174D+00 -0.47936866480736D-16
|
|
2 2 2 2 0.87932333975938D+00 0.86736173798840D-17
|
|
3 2 2 2 0.44077249523189D+00 -0.16414697574999D-16
|
|
1 1 3 2 -0.87720353419181D-01 0.22042434657448D-16
|
|
2 1 3 2 -0.96988121027338D-01 0.48319068024459D-16
|
|
3 1 3 2 -0.35198869032098D-01 0.17966616855489D-16
|
|
1 2 3 2 0.11647025784173D+00 -0.14212932737240D-16
|
|
2 2 3 2 0.44077249523189D+00 0.22052548871923D-16
|
|
3 2 3 2 0.11476663317739D-01 -0.60715321659188D-17
|
|
Band: 4
|
|
1 1 1 1 0.29514701938143D+00 -0.43368086899420D-17
|
|
2 1 1 1 -0.14191556884043D+01 0.21701764295167D-16
|
|
3 1 1 1 0.16140470489626D+00 -0.36612833714436D-17
|
|
1 2 1 1 -0.62495724052397D-01 -0.59081076370602D-17
|
|
2 2 1 1 0.17191227540553D+00 0.19158622263150D-16
|
|
3 2 1 1 -0.19855593532362D-01 -0.54380971686539D-17
|
|
1 1 2 1 -0.14191556884043D+01 -0.20400721688184D-16
|
|
2 1 2 1 0.27966199869874D+01 0.54210108624275D-17
|
|
3 1 2 1 -0.37757487548546D+00 0.40581839088468D-16
|
|
1 2 2 1 0.17191227536511D+00 -0.42013980281281D-17
|
|
2 2 2 1 -0.33764291723505D+00 0.12807010362771D-16
|
|
3 2 2 1 0.44686973226238D-01 0.23104634727749D-16
|
|
1 1 3 1 0.16140470489626D+00 0.53960068474205D-17
|
|
2 1 3 1 -0.37757487548546D+00 -0.49255456468352D-16
|
|
3 1 3 1 -0.22602454229062D+00 -0.13010426069826D-17
|
|
1 2 3 1 -0.19855593490396D-01 -0.23987197171914D-17
|
|
2 2 3 1 0.44686973334376D-01 0.19618047263170D-16
|
|
3 2 3 1 0.90674716774502D-03 0.96341664056951D-17
|
|
1 1 1 2 -0.62495724052397D-01 0.11850890794996D-16
|
|
2 1 1 2 0.17191227536511D+00 0.18984998993172D-18
|
|
3 1 1 2 -0.19855593490396D-01 0.45671240621624D-17
|
|
1 2 1 2 0.10081051400021D-01 -0.10408340855861D-16
|
|
2 2 1 2 -0.22411091871571D+00 -0.19379937606795D-16
|
|
3 2 1 2 0.28389966452150D-01 0.63208463321428D-17
|
|
1 1 2 2 0.17191227540553D+00 -0.19971773892514D-16
|
|
2 1 2 2 -0.33764291723505D+00 -0.13891212535257D-16
|
|
3 1 2 2 0.44686973334376D-01 -0.48728977173676D-17
|
|
1 2 2 2 -0.22411091871571D+00 0.15802070437593D-16
|
|
2 2 2 2 0.31001069114832D+00 -0.13010426069826D-17
|
|
3 2 2 2 -0.49576768246901D-01 -0.10451848083615D-16
|
|
1 1 3 2 -0.19855593532362D-01 0.45707354306655D-17
|
|
2 1 3 2 0.44686973226238D-01 -0.13238394958131D-16
|
|
3 1 3 2 0.90674716774502D-03 -0.52686815681691D-18
|
|
1 2 3 2 0.28389966452150D-01 -0.13259740236050D-16
|
|
2 2 3 2 -0.49576768246901D-01 0.17782307037309D-17
|
|
3 2 3 2 -0.11427768032627D+00 -0.10842021724855D-17
|
|
Band: 5
|
|
1 1 1 1 0.60783618801539D+00 0.13877787807814D-16
|
|
2 1 1 1 0.12082774929552D+00 0.47394737912389D-17
|
|
3 1 1 1 -0.15753415202173D+01 -0.11768443413381D-15
|
|
1 2 1 1 -0.11440348880381D+00 -0.12416618146239D-16
|
|
2 2 1 1 -0.50339749170740D-01 -0.95728149578872D-17
|
|
3 2 1 1 0.18937331121539D+00 0.16035499619094D-16
|
|
1 1 2 1 0.12082774929552D+00 0.31015767697352D-19
|
|
2 1 2 1 -0.22888625463207D+00 0.34694469519536D-17
|
|
3 1 2 1 -0.20537100852468D+00 -0.15373258536873D-16
|
|
1 2 2 1 -0.50339749169525D-01 -0.11281460472764D-16
|
|
2 2 2 1 -0.28421975321768D-01 0.10442307541817D-16
|
|
3 2 2 1 0.45227596334643D-01 -0.43787896546167D-17
|
|
1 1 3 1 -0.15753415202173D+01 0.11855179587179D-15
|
|
2 1 3 1 -0.20537100852468D+00 0.19276386357821D-16
|
|
3 1 3 1 0.22200412024894D+01 0.52041704279304D-17
|
|
1 2 3 1 0.18937331124502D+00 -0.19682687291719D-16
|
|
2 2 3 1 0.45227596162428D-01 -0.17240989507211D-16
|
|
3 2 3 1 -0.25640642955944D+00 0.43409060528167D-16
|
|
1 1 1 2 -0.11440348880381D+00 0.23285744925406D-16
|
|
2 1 1 2 -0.50339749169525D-01 -0.56320934180099D-17
|
|
3 1 1 2 0.18937331124502D+00 0.21092150115950D-16
|
|
1 2 1 2 0.22588917886301D+00 0.34694469519536D-17
|
|
2 2 1 2 0.36035737066293D+00 0.20200021149196D-17
|
|
3 2 1 2 -0.23483077931872D+00 -0.14331081014833D-16
|
|
1 1 2 2 -0.50339749170740D-01 0.10006495826881D-16
|
|
2 1 2 2 -0.28421975321768D-01 0.86396506939279D-17
|
|
3 1 2 2 0.45227596162428D-01 0.19843074721177D-16
|
|
1 2 2 2 0.36035737066293D+00 0.15327232644848D-16
|
|
2 2 2 2 0.18719351025358D+00 0.86736173798840D-18
|
|
3 2 2 2 -0.22694831557737D+00 -0.22380848623697D-16
|
|
1 1 3 2 0.18937331121539D+00 -0.12999733536135D-16
|
|
2 1 3 2 0.45227596334643D-01 0.35114279166283D-17
|
|
3 1 3 2 -0.25640642955944D+00 -0.28663910982364D-16
|
|
1 2 3 2 -0.23483077931872D+00 0.14683446720891D-16
|
|
2 2 3 2 -0.22694831557737D+00 0.16959837761270D-16
|
|
3 2 3 2 0.59482700487401D-01 -0.60715321659188D-17
|
|
Band: 6
|
|
1 1 1 1 0.24682067531389D+00 0.43368086899420D-18
|
|
2 1 1 1 -0.24774231686823D+00 0.13048738411993D-16
|
|
3 1 1 1 0.52456308102054D-01 0.22250963075945D-16
|
|
1 2 1 1 -0.29520496732398D+00 -0.29212404431140D-16
|
|
2 2 1 1 0.20217315300820D+00 -0.10719957164001D-16
|
|
3 2 1 1 -0.55436553250430D-01 -0.85441415727017D-17
|
|
1 1 2 1 -0.24774231686823D+00 -0.10229812763531D-16
|
|
2 1 2 1 0.69965662304894D-01 -0.65052130349130D-18
|
|
3 1 2 1 -0.39140703629900D-01 -0.11770399512293D-16
|
|
1 2 2 1 0.20217315314178D+00 -0.33896594643927D-16
|
|
2 2 2 1 -0.10150141888400D+00 0.43529014360371D-16
|
|
3 2 2 1 0.32911557053068D-01 0.10709368843826D-16
|
|
1 1 3 1 0.52456308102054D-01 -0.20516239599968D-16
|
|
2 1 3 1 -0.39140703629900D-01 0.11011457991553D-16
|
|
3 1 3 1 -0.11164337667324D+00 -0.30357660829594D-17
|
|
1 2 3 1 -0.55436553225899D-01 0.29342561101027D-16
|
|
2 2 3 1 0.32911556882607D-01 -0.57408689281872D-17
|
|
3 2 3 1 -0.25255078309328D-02 -0.24016835331550D-17
|
|
1 1 1 2 -0.29520496732398D+00 0.22354825690169D-16
|
|
2 1 1 2 0.20217315314178D+00 0.38233403333869D-16
|
|
3 1 1 2 -0.55436553225899D-01 -0.37582497611917D-16
|
|
1 2 1 2 0.24277293337190D+01 -0.52041704279304D-17
|
|
2 2 1 2 -0.16847804803698D+01 -0.34080128934208D-16
|
|
3 2 1 2 0.47744789219642D+00 0.32986568536334D-16
|
|
1 1 2 2 0.20217315300820D+00 0.11912579553735D-16
|
|
2 1 2 2 -0.10150141888400D+00 -0.37891163063446D-16
|
|
3 1 2 2 0.32911556882607D-01 0.74755924041640D-17
|
|
1 2 2 2 -0.16847804803698D+01 0.34947490672197D-16
|
|
2 2 2 2 0.63239767970854D+00 0.00000000000000D+00
|
|
3 2 2 2 -0.27545266940452D+00 -0.32401681435795D-17
|
|
1 1 3 2 -0.55436553250430D-01 0.37736520137655D-17
|
|
2 1 3 2 0.32911557053068D-01 -0.55051984158953D-17
|
|
3 1 3 2 -0.25255078309328D-02 0.55458698333630D-17
|
|
1 2 3 2 0.47744789219642D+00 -0.37323377226276D-16
|
|
2 2 3 2 -0.27545266940452D+00 -0.87980011186545D-18
|
|
3 2 3 2 -0.19371344818255D+00 0.17347234759768D-17
|
|
Band: 7
|
|
1 1 1 1 -0.22150953195853D-01 -0.69388939039072D-17
|
|
2 1 1 1 0.18407896789551D-01 0.11835696998064D-16
|
|
3 1 1 1 0.42827369806428D+00 0.92469371748113D-17
|
|
1 2 1 1 -0.94818837220452D-01 -0.12408553209273D-16
|
|
2 2 1 1 -0.12115922135705D+00 -0.17217735950936D-16
|
|
3 2 1 1 0.36407019925722D-01 0.11819293144671D-16
|
|
1 1 2 1 0.18407896789551D-01 -0.10805704934203D-16
|
|
2 1 2 1 -0.13119765239419D+00 0.17347234759768D-17
|
|
3 1 2 1 0.55244602393921D-01 -0.45678406687943D-16
|
|
1 2 2 1 -0.12115922137543D+00 -0.18635966852082D-16
|
|
2 2 2 1 -0.12093225106724D+00 0.21128023756969D-16
|
|
3 2 2 1 0.91424226574803D-01 -0.36778098668716D-17
|
|
1 1 3 1 0.42827369806428D+00 -0.83795754368229D-17
|
|
2 1 3 1 0.55244602393921D-01 0.41341597998001D-16
|
|
3 1 3 1 0.11458267884331D+01 0.17347234759768D-17
|
|
1 2 3 1 0.36407019760934D-01 0.16693294305633D-16
|
|
2 2 3 1 0.91424226378288D-01 0.40074377603971D-17
|
|
3 2 3 1 -0.18348080551402D+00 0.95642058589138D-17
|
|
1 1 1 2 -0.94818837220452D-01 0.15335899074984D-16
|
|
2 1 1 2 -0.12115922137543D+00 -0.22891350768887D-17
|
|
3 1 1 2 0.36407019760934D-01 -0.18265387455737D-16
|
|
1 2 1 2 0.65647579713834D+00 0.00000000000000D+00
|
|
2 2 1 2 0.11397229121595D+01 -0.15572372811541D-16
|
|
3 2 1 2 -0.77627932969702D+00 -0.43791846885959D-17
|
|
1 1 2 2 -0.12115922135705D+00 0.10278842047028D-16
|
|
2 1 2 2 -0.12093225106724D+00 -0.72502359491543D-17
|
|
3 1 2 2 0.91424226378288D-01 -0.14849459485252D-16
|
|
1 2 2 2 0.11397229121595D+01 0.22511266715448D-16
|
|
2 2 2 2 0.10313954085997D+01 -0.86736173798840D-17
|
|
3 2 2 2 -0.92914600461119D+00 -0.26376356428385D-16
|
|
1 1 3 2 0.36407019925722D-01 -0.12171658850729D-16
|
|
2 1 3 2 0.91424226574803D-01 0.41114907358658D-17
|
|
3 1 3 2 -0.18348080551402D+00 -0.17579502170182D-17
|
|
1 2 3 2 -0.77627932969702D+00 0.58447708489668D-18
|
|
2 2 3 2 -0.92914600461119D+00 0.25508994690396D-16
|
|
3 2 3 2 0.39120713711722D+00 0.17347234759768D-17
|
|
Band: 8
|
|
1 1 1 1 0.35476224897357D+00 -0.69388939039072D-17
|
|
2 1 1 1 0.19727585623162D+00 -0.56464732790075D-16
|
|
3 1 1 1 0.21118006439506D+00 -0.79416058156351D-17
|
|
1 2 1 1 -0.47034400971621D-01 0.23012221558191D-16
|
|
2 2 1 1 -0.32915655292045D-01 -0.15125854036162D-16
|
|
3 2 1 1 -0.62767830940226D-01 -0.95075426448677D-17
|
|
1 1 2 1 0.19727585623162D+00 0.40852221506284D-16
|
|
2 1 2 1 -0.52396742586112D-01 -0.17347234759768D-17
|
|
3 1 2 1 0.80529196811652D-01 0.21070577331243D-16
|
|
1 2 2 1 -0.32915655362298D-01 -0.56116445824087D-17
|
|
2 2 2 1 -0.30438570251121D-01 -0.15062397853766D-16
|
|
3 2 2 1 -0.11726223216245D+00 -0.16172760584859D-16
|
|
1 1 3 1 0.21118006439506D+00 0.10110010160606D-16
|
|
2 1 3 1 0.80529196811652D-01 -0.22913721024469D-16
|
|
3 1 3 1 0.27527128038086D-01 -0.86736173798840D-18
|
|
1 2 3 1 -0.62767830861955D-01 0.78002863352869D-17
|
|
2 2 3 1 -0.11726223185390D+00 -0.12650008098452D-16
|
|
3 2 3 1 -0.32175892237471D+00 -0.15563619956864D-16
|
|
1 1 1 2 -0.47034400971621D-01 -0.36808694203069D-16
|
|
2 1 1 2 -0.32915655362298D-01 0.11122055665938D-17
|
|
3 1 1 2 -0.62767830861955D-01 -0.41139989488362D-17
|
|
1 2 1 2 -0.20695315890168D+00 -0.52041704279304D-17
|
|
2 2 1 2 0.11735669204224D+00 -0.91592331639273D-17
|
|
3 2 1 2 0.38880199252638D+00 0.88040397367340D-17
|
|
1 1 2 2 -0.32915655292045D-01 -0.52571468065653D-17
|
|
2 1 2 2 -0.30438570251121D-01 0.59550996048873D-17
|
|
3 1 2 2 -0.11726223185390D+00 0.13354739510568D-16
|
|
1 2 2 2 0.11735669204224D+00 0.78581905569447D-17
|
|
2 2 2 2 0.31235896757786D-01 0.43368086899420D-17
|
|
3 2 2 2 0.10403512626089D+01 0.22475270902217D-16
|
|
1 1 3 2 -0.62767830940226D-01 0.78270292775152D-17
|
|
2 1 3 2 -0.11726223216245D+00 0.20346938948928D-16
|
|
3 1 3 2 -0.32175892237471D+00 0.12527853873904D-16
|
|
1 2 3 2 0.38880199252638D+00 -0.10186397506653D-16
|
|
2 2 3 2 0.10403512626089D+01 -0.28329962633639D-16
|
|
3 2 3 2 0.29173811530420D+01 -0.86736173798840D-17
|
|
|
|
2nd eigenvalue derivatives - # elements : 36
|
|
qpt 0.00000000E+00 5.00000000E-01 5.00000000E-01 1.0
|
|
K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.22566147924936D+01 0.24644277292793D-17
|
|
2 1 1 1 -0.50975583002573D-08 0.14797803495407D-17
|
|
3 1 1 1 0.33541024972298D-09 0.46734302725854D-16
|
|
1 2 1 1 -0.42088423399266D-11 0.26130892790944D-17
|
|
2 2 1 1 0.24576776893053D-09 -0.12129341200249D-16
|
|
3 2 1 1 -0.70570085677496D-08 -0.47091614054884D-16
|
|
1 1 2 1 -0.50975583564328D-08 -0.83506039972740D-18
|
|
2 1 2 1 -0.21014264138147D+01 0.37789345618876D-19
|
|
3 1 2 1 -0.39729350313384D-07 0.68009001590620D-16
|
|
1 2 2 1 -0.23839549379330D-09 -0.68589717627845D-17
|
|
2 2 2 1 -0.29341684024543D-09 -0.19942224117793D-16
|
|
3 2 2 1 0.36031871917398D+00 0.55596886793950D-17
|
|
1 1 3 1 0.33541022154286D-09 -0.36325961869993D-16
|
|
2 1 3 1 -0.39729350334038D-07 -0.57709720187633D-16
|
|
3 1 3 1 -0.22910859183114D+01 0.52979449988434D-18
|
|
1 2 3 1 0.70661819387809D-08 0.20465068003559D-16
|
|
2 2 3 1 -0.58726556543328D-02 0.93490004037549D-16
|
|
3 2 3 1 -0.33544938194205D-09 0.49625386991340D-16
|
|
1 1 1 2 -0.42088655128538D-11 -0.23896601442232D-17
|
|
2 1 1 2 -0.23839548198465D-09 0.78743959686570D-18
|
|
3 1 1 2 0.70661819928275D-08 -0.21167265761458D-16
|
|
1 2 1 2 -0.17193824573212D+00 -0.11322018349201D-17
|
|
2 2 1 2 0.50901455671756D-08 -0.74957569450016D-17
|
|
3 2 1 2 -0.34267729689356D-09 -0.11405311248777D-17
|
|
1 1 2 2 0.24576776957613D-09 -0.13147657385708D-17
|
|
2 1 2 2 -0.29341684067911D-09 0.22014343697575D-16
|
|
3 1 2 2 -0.58726556543328D-02 -0.88360182567629D-16
|
|
1 2 2 2 0.50901455654855D-08 0.71562911205966D-17
|
|
2 2 2 2 -0.24332020247560D+00 0.10634503822657D-17
|
|
3 2 2 2 0.40415563699978D-07 -0.47663866172482D-17
|
|
1 1 3 2 -0.70570085234594D-08 0.42474447127075D-16
|
|
2 1 3 2 0.36031871917398D+00 -0.92529911358204D-17
|
|
3 1 3 2 -0.33544938606202D-09 -0.45275064044068D-16
|
|
1 2 3 2 -0.34267729699767D-09 -0.23289158270759D-17
|
|
2 2 3 2 0.40415563700412D-07 0.45429831314383D-17
|
|
3 2 3 2 -0.27813548337219D+00 0.29496948059842D-17
|
|
Band: 2
|
|
1 1 1 1 -0.17193824573867D+00 0.22431915794589D-17
|
|
2 1 1 1 0.50897045878653D-08 0.16340303247080D-16
|
|
3 1 1 1 -0.34268009558134D-09 -0.78438730722198D-18
|
|
1 2 1 1 -0.54092417229766D-11 0.25851534305640D-16
|
|
2 2 1 1 -0.23839385235150D-09 0.95483042378190D-17
|
|
3 2 1 1 0.70678257855243D-08 0.24964852302315D-16
|
|
1 1 2 1 0.50897045899106D-08 -0.13350028789089D-16
|
|
2 1 2 1 -0.24332020248870D+00 0.30327037569342D-17
|
|
3 1 2 1 0.40416275316635D-07 0.24106701880392D-16
|
|
1 2 2 1 0.24581242453540D-09 -0.63837748353157D-17
|
|
2 2 2 1 -0.29409704792277D-09 -0.91175133643903D-17
|
|
3 2 2 1 -0.58726556455953D-02 0.80086780166146D-16
|
|
1 1 3 1 -0.34268009638928D-09 -0.44197831207084D-17
|
|
2 1 3 1 0.40416275314683D-07 -0.26464502138380D-16
|
|
3 1 3 1 -0.27813548338086D+00 0.21357144321192D-17
|
|
1 2 3 1 -0.70553630384522D-08 0.39489508119234D-17
|
|
2 2 3 1 0.36031871917704D+00 0.12754891314339D-16
|
|
3 2 3 1 -0.33059241632807D-09 0.16510737548131D-16
|
|
1 1 1 2 -0.54092232110166D-11 -0.29067007031038D-16
|
|
2 1 1 2 0.24581242109033D-09 0.12455307001235D-16
|
|
3 1 1 2 -0.70553630194013D-08 -0.24398416235023D-17
|
|
1 2 1 2 -0.22566147924655D+01 0.90006168686748D-19
|
|
2 2 1 2 -0.50980662945604D-08 0.26336027930246D-16
|
|
3 2 1 2 0.33540696750237D-09 0.63711587120948D-16
|
|
1 1 2 2 -0.23839383823437D-09 -0.99819851068132D-17
|
|
2 1 2 2 -0.29409704794988D-09 0.50169882461218D-17
|
|
3 1 2 2 0.36031871917704D+00 -0.15787703887529D-16
|
|
1 2 2 2 -0.50980663629998D-08 -0.22444078498850D-16
|
|
2 2 2 2 -0.21014264137842D+01 0.14254863822150D-17
|
|
3 2 2 2 -0.39728620913349D-07 -0.27834712148034D-16
|
|
1 1 3 2 0.70678258011093D-08 -0.27605858018462D-16
|
|
2 1 3 2 -0.58726556455953D-02 -0.82661348389854D-16
|
|
3 1 3 2 -0.33059239052406D-09 -0.26891783907144D-16
|
|
1 2 3 2 0.33540693313802D-09 -0.58507416693018D-16
|
|
2 2 3 2 -0.39728620883635D-07 0.25232858064205D-16
|
|
3 2 3 2 -0.22910859183207D+01 0.18928326394166D-17
|
|
Band: 3
|
|
1 1 1 1 -0.33080727134400D+01 -0.96938032175834D-17
|
|
2 1 1 1 -0.46459053117021D-07 0.37672863478808D-16
|
|
3 1 1 1 0.36580448765440D-09 0.27943593478131D-16
|
|
1 2 1 1 -0.13490500078979D-10 0.12173058611534D-16
|
|
2 2 1 1 0.22261864912091D-08 -0.42491779683644D-16
|
|
3 2 1 1 -0.75247493401955D-08 -0.32434624384194D-16
|
|
1 1 2 1 -0.46459053166201D-07 -0.38844439085036D-16
|
|
2 1 2 1 -0.56076100263724D+01 -0.45989732453330D-18
|
|
3 1 2 1 -0.20020941564137D-06 -0.14749941035728D-15
|
|
1 2 2 1 -0.22164924801265D-08 0.27471762055042D-16
|
|
2 2 2 1 -0.70161099987676D-09 0.20778320617353D-16
|
|
3 2 2 1 -0.42554025144231D+00 -0.18024819022820D-15
|
|
1 1 3 1 0.36580441932456D-09 -0.17535252622270D-16
|
|
2 1 3 1 -0.20020941568723D-06 0.18217572331084D-15
|
|
3 1 3 1 -0.15804347498097D+01 0.16354886031223D-16
|
|
1 2 3 1 0.75328809725780D-08 0.17067425648770D-16
|
|
2 2 3 1 0.73791481160810D+00 -0.24698148254238D-16
|
|
3 2 3 1 -0.34040047030558D-09 0.90086725957178D-16
|
|
1 1 1 2 -0.13490490667364D-10 0.11168160131726D-16
|
|
2 1 1 2 -0.22164924238117D-08 -0.41349549862857D-16
|
|
3 1 1 2 0.75328810006640D-08 -0.23191874212836D-16
|
|
1 2 1 2 -0.64908998812757D+00 0.20018519422238D-17
|
|
2 2 1 2 0.46465071659929D-07 -0.90117816548323D-18
|
|
3 2 1 2 -0.36658286168728D-09 0.99097738018544D-17
|
|
1 1 2 2 0.22261864800000D-08 0.91064037010994D-16
|
|
2 1 2 2 -0.70161102676497D-09 0.27664556214240D-16
|
|
3 1 2 2 0.73791481160810D+00 0.23024573277863D-16
|
|
1 2 2 2 0.46465071687496D-07 0.91649755042771D-18
|
|
2 2 2 2 -0.13438907283773D+01 -0.38304914369983D-17
|
|
3 2 2 2 0.20134561038460D-06 -0.26392429604745D-16
|
|
1 1 3 2 -0.75247493712308D-08 0.57140825555016D-16
|
|
2 1 3 2 -0.42554025144231D+00 0.18360082521559D-15
|
|
3 1 3 2 -0.34040037316106D-09 -0.49386532405732D-16
|
|
1 2 3 2 -0.36658284957204D-09 -0.13379220753808D-16
|
|
2 2 3 2 0.20134561035858D-06 -0.57327917893328D-16
|
|
3 2 3 2 -0.64501416344111D+00 -0.16260187085975D-17
|
|
Band: 4
|
|
1 1 1 1 -0.64908998813902D+00 0.75865158876527D-17
|
|
2 1 1 1 0.46451439777885D-07 0.14388854727287D-16
|
|
3 1 1 1 -0.36661942437339D-09 0.30125728974214D-16
|
|
1 2 1 1 0.31580990984779D-11 0.18441931755885D-15
|
|
2 2 1 1 -0.22164819989557D-08 -0.11664137079861D-16
|
|
3 2 1 1 0.75362501230877D-08 0.25261213510995D-16
|
|
1 1 2 1 0.46451439760038D-07 -0.14913750456788D-16
|
|
2 1 2 1 -0.13438907284747D+01 0.21883769517333D-16
|
|
3 1 2 1 0.20134650438668D-06 0.23413560225054D-15
|
|
1 2 2 1 0.22253451786606D-08 -0.10308691973013D-15
|
|
2 2 2 1 -0.66228812536609D-09 0.24133011570495D-15
|
|
3 2 2 1 0.73791481162202D+00 0.97599371776078D-16
|
|
1 1 3 1 -0.36661942637021D-09 -0.40534069830075D-16
|
|
2 1 3 1 0.20134650439188D-06 -0.16177884000848D-15
|
|
3 1 3 1 -0.64501416343689D+00 -0.29057345314370D-17
|
|
1 2 3 1 -0.75213313157893D-08 0.23503502027027D-16
|
|
2 2 3 1 -0.42554025143340D+00 0.12154401398867D-16
|
|
3 2 3 1 -0.33538990000349D-09 0.94336486652999D-16
|
|
1 1 1 2 0.31580777855048D-11 -0.17890200632951D-15
|
|
2 1 1 2 0.22253451680861D-08 0.96148025826222D-16
|
|
3 1 1 2 -0.75213313307578D-08 -0.20451847458861D-16
|
|
1 2 1 2 -0.33080727135574D+01 -0.32055838845723D-17
|
|
2 2 1 2 -0.46473432325158D-07 0.13682640928343D-16
|
|
3 2 1 2 0.36596149178500D-09 -0.61840935788741D-16
|
|
1 1 2 2 -0.22164819710777D-08 0.47252431759536D-17
|
|
2 1 2 2 -0.66228811755983D-09 -0.23448807190379D-15
|
|
3 1 2 2 -0.42554025143340D+00 -0.15314572757617D-16
|
|
1 2 2 2 -0.46473432321808D-07 -0.32326110928168D-16
|
|
2 2 2 2 -0.56076100265252D+01 -0.38796921088137D-16
|
|
3 2 2 2 -0.20020721323429D-06 -0.85759465927027D-16
|
|
1 1 3 2 0.75362501390532D-08 -0.26313033216861D-16
|
|
2 1 3 2 0.73791481162202D+00 -0.75191135008801D-16
|
|
3 1 3 2 -0.33538989306459D-09 -0.11899833932369D-15
|
|
1 2 3 2 0.36596148438629D-09 0.65310382740695D-16
|
|
2 2 3 2 -0.20020721324567D-06 0.96166790270004D-16
|
|
3 2 3 2 -0.15804347498501D+01 -0.82454587686592D-17
|
|
Band: 5
|
|
1 1 1 1 -0.70651545336823D+00 -0.50821976835258D-19
|
|
2 1 1 1 0.90294927608368D-08 -0.17199217248947D-16
|
|
3 1 1 1 0.83362025248203D-03 0.12826375913950D-16
|
|
1 2 1 1 -0.23424366824648D-10 0.34807286097421D-16
|
|
2 2 1 1 0.25722660607297D-03 -0.25880825106811D-16
|
|
3 2 1 1 0.33420829300801D-07 -0.36599949566079D-16
|
|
1 1 2 1 0.90294927353319D-08 0.48480370925751D-17
|
|
2 1 2 1 -0.61231417442445D+00 -0.43368086899420D-18
|
|
3 1 2 1 0.13266854888508D-06 0.51908329446202D-16
|
|
1 2 2 1 -0.83459811385625D-04 0.12213404979766D-16
|
|
2 2 2 1 -0.31241438020485D-09 0.10547005421054D-17
|
|
3 2 2 1 0.45870944794933D-01 0.56196423475445D-17
|
|
1 1 3 1 0.83362025248206D-03 -0.12826375913950D-16
|
|
2 1 3 1 0.13266854880170D-06 -0.73171538973858D-16
|
|
3 1 3 1 0.46300797364886D+01 -0.77486574014823D-17
|
|
1 2 3 1 -0.33533714345348D-07 -0.71744048023457D-16
|
|
2 2 3 1 0.10037845767654D+01 -0.29081867700487D-15
|
|
3 2 3 1 0.15836979955216D-09 0.33450310884637D-15
|
|
1 1 1 2 -0.23424340942780D-10 -0.37847344213783D-16
|
|
2 1 1 2 -0.83459811385662D-04 -0.11346043241777D-16
|
|
3 1 1 2 -0.33533714333647D-07 0.68953928939827D-16
|
|
1 2 1 2 -0.14452591408610D+00 0.83220987067735D-19
|
|
2 2 1 2 -0.89508933793505D-08 0.12840440585707D-16
|
|
3 2 1 2 -0.35746956750950D-03 0.10838211186392D-16
|
|
1 1 2 2 0.25722660607294D-03 0.26965027279296D-16
|
|
2 1 2 2 -0.31241433857148D-09 0.14614716150885D-16
|
|
3 1 2 2 0.10037845767654D+01 0.28593129689921D-15
|
|
1 2 2 2 -0.89508933801201D-08 -0.10382279008061D-16
|
|
2 2 2 2 -0.51955459294343D+00 0.51342902097819D-17
|
|
3 2 2 2 -0.13263034545639D-06 0.12811602519449D-15
|
|
1 1 3 2 0.33420829319715D-07 0.45531534800517D-16
|
|
2 1 3 2 0.45870944794933D-01 0.53659311309974D-18
|
|
3 1 3 2 0.15836982600669D-09 -0.30696650455843D-15
|
|
1 2 3 2 -0.35746956750949D-03 -0.10838211186392D-16
|
|
2 2 3 2 -0.13263034546116D-06 -0.15435354454216D-15
|
|
3 2 3 2 0.25533953437491D+00 -0.47467726364131D-17
|
|
Band: 6
|
|
1 1 1 1 -0.14452536943122D+00 -0.13569467815014D-17
|
|
2 1 1 1 -0.91163059294591D-08 0.89111968280727D-17
|
|
3 1 1 1 0.72620843625537D-03 0.14676054840920D-17
|
|
1 2 1 1 0.41919886640063D-10 0.20946138064829D-16
|
|
2 2 1 1 0.21758557963525D-03 -0.53178703540393D-17
|
|
3 2 1 1 -0.33328863751437D-07 0.10960028282675D-16
|
|
1 1 2 1 -0.91163059254759D-08 -0.10596617030819D-16
|
|
2 1 2 1 -0.51955478120789D+00 0.46332702214810D-17
|
|
3 1 2 1 -0.13262315245980D-06 -0.14025135650963D-16
|
|
1 2 2 1 -0.12630528191300D-03 0.16230471121147D-16
|
|
2 2 2 1 -0.32685976427792D-09 -0.81808311053906D-16
|
|
3 2 2 1 0.10037844373764D+01 0.17855083589980D-16
|
|
1 1 3 1 0.72620843625537D-03 -0.15345393291906D-16
|
|
2 1 3 1 -0.13262315246067D-06 0.25484157901701D-16
|
|
3 1 3 1 0.25533885805719D+00 -0.62612675461038D-17
|
|
1 2 3 1 0.33513727861699D-07 -0.98947757070455D-16
|
|
2 2 3 1 0.45870900814363D-01 0.13181201811049D-16
|
|
3 2 3 1 0.21078099287212D-09 -0.15469684018152D-16
|
|
1 1 1 2 0.41919870327551D-10 -0.26267080049601D-17
|
|
2 1 1 2 -0.12630528191297D-03 -0.53884493962924D-17
|
|
3 1 1 2 0.33513727850179D-07 0.10487924487033D-15
|
|
1 2 1 2 -0.70651532185252D+00 0.76741185021240D-18
|
|
2 2 1 2 0.89531176331982D-08 -0.33379187538591D-16
|
|
3 2 1 2 -0.47608558711458D-03 0.62398545308291D-16
|
|
1 1 2 2 0.21758557963524D-03 0.11389402519958D-16
|
|
2 1 2 2 -0.32685978335988D-09 0.70478935511537D-16
|
|
3 1 2 2 0.45870900814363D-01 -0.16552392941121D-16
|
|
1 2 2 2 0.89531175888270D-08 0.35594839716368D-16
|
|
2 2 2 2 -0.61231399524105D+00 0.33542504711270D-18
|
|
3 2 2 2 0.13267461363280D-06 -0.26179739324737D-16
|
|
1 1 3 2 -0.33328863734105D-07 -0.26833600249330D-16
|
|
2 1 3 2 0.10037844373764D+01 -0.31556688544765D-16
|
|
3 1 3 2 0.21078096555023D-09 0.75727995986579D-17
|
|
1 2 3 2 -0.47608558711461D-03 -0.72806886164152D-16
|
|
2 2 3 2 0.13267461364554D-06 0.34339182164013D-16
|
|
3 2 3 2 0.46300785061487D+01 -0.20870891820346D-17
|
|
Band: 7
|
|
1 1 1 1 0.12309837245971D+01 0.83695325518197D-17
|
|
2 1 1 1 -0.36450326705236D-08 -0.54766060711044D-16
|
|
3 1 1 1 -0.11789182338707D-02 -0.38132649718462D-16
|
|
1 2 1 1 -0.59256355085514D-10 0.70691727298749D-16
|
|
2 2 1 1 -0.35670171582974D-03 0.12774826806863D-15
|
|
3 2 1 1 -0.43499404152606D-08 -0.50036983726262D-16
|
|
1 1 2 1 -0.36450326712867D-08 0.47013167421043D-16
|
|
2 1 2 1 -0.97676801824918D+00 -0.47997121956165D-17
|
|
3 1 2 1 -0.28852326337266D-07 -0.18902844109097D-16
|
|
1 2 2 1 0.17636803174601D-03 -0.40874616294210D-17
|
|
2 2 2 1 -0.24040768554020D-09 -0.91403902596201D-17
|
|
3 2 2 1 0.33361740973219D+00 0.37871948812045D-17
|
|
1 1 3 1 -0.11789182338707D-02 0.32928479290532D-16
|
|
2 1 3 1 -0.28852326185538D-07 0.20192569566981D-16
|
|
3 1 3 1 -0.88014495441702D+00 0.59089018400460D-17
|
|
1 2 3 1 0.41599608320593D-08 -0.14504185655434D-16
|
|
2 2 3 1 0.13726935953844D+00 -0.81666825079935D-17
|
|
3 2 3 1 -0.23759901757741D-09 0.27531369151657D-16
|
|
1 1 1 2 -0.59256365602275D-10 -0.19918015909396D-16
|
|
2 1 1 2 0.17636803174601D-03 0.50959446021888D-18
|
|
3 1 1 2 0.41599608461620D-08 0.18565976644037D-16
|
|
1 2 1 2 0.51890662021501D-01 -0.29375102610779D-17
|
|
2 2 1 2 0.37861492589092D-08 -0.88867838496491D-16
|
|
3 2 1 2 0.68477397750912D-03 -0.63077543887288D-17
|
|
1 1 2 2 -0.35670171582976D-03 -0.12698932654789D-15
|
|
2 1 2 2 -0.24040775183190D-09 -0.27457536455921D-16
|
|
3 1 2 2 0.13726935953844D+00 0.16748820329574D-16
|
|
1 2 2 2 0.37861492552428D-08 0.87379905803835D-16
|
|
2 2 2 2 -0.18357398259836D+00 -0.38184245262224D-17
|
|
3 2 2 2 0.29342646289125D-07 -0.72568498316337D-17
|
|
1 1 3 2 -0.43499404213495D-08 0.64565380467013D-16
|
|
2 1 3 2 0.33361740973219D+00 -0.15474555487419D-16
|
|
3 1 3 2 -0.23759903130179D-09 -0.12967847045685D-16
|
|
1 2 3 2 0.68477397750912D-03 0.37056691747636D-17
|
|
2 2 3 2 0.29342646286967D-07 0.10793122769802D-16
|
|
3 2 3 2 -0.25138949048014D+00 -0.26495190590115D-17
|
|
Band: 8
|
|
1 1 1 1 0.51890818517092D-01 -0.55336662444123D-17
|
|
2 1 1 1 0.37080414618934D-08 0.59301957546736D-16
|
|
3 1 1 1 -0.38091047247837D-03 -0.64368576895236D-17
|
|
1 2 1 1 0.37130501220660D-10 -0.98692026291211D-16
|
|
2 2 1 1 -0.11811045178338D-03 0.47113997955129D-17
|
|
3 2 1 1 0.42572637855338D-08 -0.52817208141992D-16
|
|
1 1 2 1 0.37080414636836D-08 -0.61279270555703D-16
|
|
2 1 2 1 -0.18357380374335D+00 0.64814961123899D-17
|
|
3 1 2 1 0.29342854624930D-07 0.11925294932942D-16
|
|
1 2 2 1 0.33397076110678D-04 0.55804810438625D-16
|
|
2 2 2 1 -0.24019727277660D-09 0.10047451488930D-16
|
|
3 2 2 1 0.13726930877470D+00 0.12888203109140D-17
|
|
1 1 3 1 -0.38091047247837D-03 0.12326872615932D-17
|
|
2 1 3 1 0.29342854617958D-07 -0.86063145295193D-17
|
|
3 1 3 1 -0.25139079135115D+00 0.44655576979247D-17
|
|
1 2 3 1 -0.41417936210074D-08 -0.36886420063618D-16
|
|
2 2 3 1 0.33361726353492D+00 -0.25738416699780D-16
|
|
3 2 3 1 -0.23737662158213D-09 -0.11765521331348D-16
|
|
1 1 1 2 0.37130504039586D-10 0.23527565648513D-15
|
|
2 1 1 2 0.33397076110679D-04 -0.55696390221376D-16
|
|
3 1 1 2 -0.41417936136005D-08 0.38615346761260D-16
|
|
1 2 1 2 0.12309842941571D+01 -0.31465156408129D-16
|
|
2 2 1 2 -0.38117278962172D-08 0.18688754118151D-16
|
|
3 2 1 2 0.14878116231403D-03 -0.82909061445030D-16
|
|
1 1 2 2 -0.11811045178338D-03 -0.69985175731652D-18
|
|
2 1 2 2 -0.24019725823969D-09 0.87051895189507D-17
|
|
3 1 2 2 0.33361726353492D+00 0.23192235660333D-16
|
|
1 2 2 2 -0.38117278823955D-08 -0.12405348737314D-16
|
|
2 2 2 2 -0.97676820680631D+00 0.37701436482289D-17
|
|
3 2 2 2 -0.28852232724503D-07 0.23915130990763D-16
|
|
1 1 3 2 0.42572637844307D-08 0.33133713204656D-16
|
|
2 1 3 2 0.13726930877470D+00 -0.28527705828718D-16
|
|
3 1 3 2 -0.23737661344156D-09 0.16680313511034D-16
|
|
1 2 3 2 0.14878116231407D-03 0.60357656257331D-16
|
|
2 2 3 2 -0.28852232665336D-07 -0.25436321488073D-16
|
|
3 2 3 2 -0.88014570129617D+00 0.53363075677021D-17
|
|
K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.22703100179864D+01 -0.34694469519536D-17
|
|
2 1 1 1 -0.12640524126506D-06 -0.54749491613313D-16
|
|
3 1 1 1 -0.14746917982395D-06 -0.15189708615943D-15
|
|
1 2 1 1 -0.74512805232694D-11 0.19726666771872D-16
|
|
2 2 1 1 0.11021407835326D-06 0.14422147812232D-16
|
|
3 2 1 1 0.85094563530273D-07 -0.95616911442284D-16
|
|
1 1 2 1 -0.12640524120403D-06 0.53395932963600D-16
|
|
2 1 2 1 -0.36375751948870D+01 0.86736173798840D-18
|
|
3 1 2 1 0.11898823133369D-08 0.15050002962735D-17
|
|
1 2 2 1 -0.11019380006793D-06 -0.79422553902969D-16
|
|
2 2 2 1 -0.75753000784625D-09 0.72105423539510D-16
|
|
3 2 2 1 0.84811171046996D+00 0.48469838903658D-16
|
|
1 1 3 1 -0.14746917989344D-06 0.15299484085907D-15
|
|
2 1 3 1 0.11898823304013D-08 0.52279657945334D-18
|
|
3 1 3 1 -0.36375751932784D+01 0.56378512969246D-17
|
|
1 2 3 1 -0.85067400890041D-07 0.35028152997645D-16
|
|
2 2 3 1 0.84811171126318D+00 -0.47720916292182D-16
|
|
3 2 3 1 -0.73831116206135D-09 0.14663233961443D-15
|
|
1 1 1 2 -0.74512799294993D-11 -0.19033793821018D-16
|
|
2 1 1 2 -0.11019380004374D-06 0.83217261506668D-16
|
|
3 1 1 2 -0.85067400886314D-07 -0.36255821375571D-16
|
|
1 2 1 2 -0.13298611070752D+01 0.24286128663675D-16
|
|
2 2 1 2 0.12637703819425D-06 0.20146621137110D-16
|
|
3 2 1 2 0.14744279474387D-06 -0.10948842075749D-16
|
|
1 1 2 2 0.11021407833214D-06 -0.12007680396083D-16
|
|
2 1 2 2 -0.75752999947291D-09 -0.64089024317357D-16
|
|
3 1 2 2 0.84811171126318D+00 0.26687394145963D-16
|
|
1 2 2 2 0.12637703819527D-06 -0.22125713618370D-16
|
|
2 2 2 2 -0.47834745632119D+00 -0.43368086899420D-18
|
|
3 2 2 2 0.37574653321023D-09 -0.33859595571777D-17
|
|
1 1 3 2 0.85094563540764D-07 0.96175529670998D-16
|
|
2 1 3 2 0.84811171046996D+00 -0.38061498047797D-16
|
|
3 1 3 2 -0.73831115607124D-09 -0.14552794100011D-15
|
|
1 2 3 2 0.14744279474093D-06 0.10994581854901D-16
|
|
2 2 3 2 0.37574653703141D-09 0.52083509431953D-17
|
|
3 2 3 2 -0.47834745542602D+00 -0.30357660829594D-17
|
|
Band: 2
|
|
1 1 1 1 -0.13298611072290D+01 0.69388939039072D-17
|
|
2 1 1 1 0.12638376109980D-06 0.72563537218656D-16
|
|
3 1 1 1 0.14745225463932D-06 0.10120766709785D-15
|
|
1 2 1 1 -0.74372275460153D-11 -0.45770051896919D-16
|
|
2 2 1 1 -0.11019692482597D-06 -0.14855915150628D-15
|
|
3 2 1 1 -0.85069635246305D-07 0.14807112055435D-16
|
|
1 1 2 1 0.12638376109591D-06 -0.69990674641371D-16
|
|
2 1 2 1 -0.47834745633728D+00 0.43368086899420D-18
|
|
3 1 2 1 0.37575216353200D-09 0.39151235959353D-16
|
|
1 2 2 1 0.11021092529281D-06 0.81836910447475D-16
|
|
2 2 2 1 -0.75754621610922D-09 -0.26012663042425D-16
|
|
3 2 2 1 0.84811171127342D+00 0.10495149546507D-15
|
|
1 1 3 1 0.14745225464677D-06 -0.10025051986745D-15
|
|
2 1 3 1 0.37575216013921D-09 -0.39794557482792D-16
|
|
3 1 3 1 -0.47834745544213D+00 -0.21684043449710D-17
|
|
1 2 3 1 0.85092378433526D-07 0.62351537522234D-18
|
|
2 2 3 1 0.84811171048036D+00 -0.18275034530870D-16
|
|
3 2 3 1 -0.73833159352250D-09 0.57360491832333D-16
|
|
1 1 1 2 -0.74371820925333D-11 0.51552745827824D-16
|
|
2 1 1 2 0.11021092529916D-06 -0.78816814474040D-16
|
|
3 1 1 2 0.85092378437481D-07 0.94914344435333D-17
|
|
1 2 1 2 -0.22703100179489D+01 0.13877787807814D-16
|
|
2 2 1 2 -0.12639858910538D-06 -0.75602761851807D-17
|
|
3 2 1 2 -0.14745969009682D-06 0.18923030452694D-15
|
|
1 1 2 2 -0.11019692485329D-06 0.14070313267873D-15
|
|
2 1 2 2 -0.75754621789403D-09 0.24162610736724D-16
|
|
3 1 2 2 0.84811171048036D+00 0.28466534952233D-16
|
|
1 2 2 2 -0.12639858910630D-06 0.11582412135218D-16
|
|
2 2 2 2 -0.36375751948715D+01 0.00000000000000D+00
|
|
3 2 2 2 0.11899113536289D-08 0.21495331641804D-15
|
|
1 1 3 2 -0.85069635245801D-07 -0.14294868880583D-16
|
|
2 1 3 2 0.84811171127342D+00 -0.98446282430159D-16
|
|
3 1 3 2 -0.73833158969635D-09 -0.64869994775114D-16
|
|
1 2 3 2 -0.14745969006536D-06 -0.19254432093307D-15
|
|
2 2 3 2 0.11899113463677D-08 -0.21639793110958D-15
|
|
3 2 3 2 -0.36375751932623D+01 -0.43368086899420D-17
|
|
Band: 3
|
|
1 1 1 1 0.13681732888988D+01 -0.27755575615629D-16
|
|
2 1 1 1 0.22669073596691D-06 0.93416651239378D-16
|
|
3 1 1 1 0.26481831478341D-06 0.93976295208158D-16
|
|
1 2 1 1 0.18084980369207D-11 -0.10297290925129D-15
|
|
2 2 1 1 -0.19758790734198D-06 0.19654297061973D-16
|
|
3 2 1 1 -0.15210627613716D-06 0.12784757835071D-15
|
|
1 1 2 1 0.22669073594610D-06 -0.63740004899376D-16
|
|
2 1 2 1 -0.68403273833274D+00 0.13877787807814D-16
|
|
3 1 2 1 0.45583935157869D-09 0.14477368730941D-16
|
|
1 2 2 1 0.19759076159679D-06 0.88831954058259D-16
|
|
2 2 2 1 -0.27052924078395D-09 -0.77761697913503D-17
|
|
3 2 2 1 0.80602420186712D+00 -0.92105270355879D-17
|
|
1 1 3 1 0.26481831483080D-06 -0.81304682317234D-16
|
|
2 1 3 1 0.45583941017897D-09 -0.21310164917618D-17
|
|
3 1 3 1 -0.68403273868422D+00 0.00000000000000D+00
|
|
1 2 3 1 0.15211438392875D-06 0.31705592466646D-16
|
|
2 2 3 1 0.80602420246010D+00 -0.69624252538635D-16
|
|
3 2 3 1 -0.26509218095422D-09 0.38449216945189D-16
|
|
1 1 1 2 0.18084689498093D-11 0.62673093324179D-16
|
|
2 1 1 2 0.19759076163007D-06 -0.11239386955203D-15
|
|
3 1 1 2 0.15211438398116D-06 -0.18753399911944D-16
|
|
1 2 1 2 0.14518836130276D+01 0.13877787807814D-15
|
|
2 2 1 2 -0.22670332720220D-06 -0.10057305776335D-15
|
|
3 2 1 2 -0.26482673611284D-06 0.38286886724314D-16
|
|
1 1 2 2 -0.19758790736998D-06 -0.35831174372431D-17
|
|
2 1 2 2 -0.27052924732982D-09 0.62133940036661D-17
|
|
3 1 2 2 0.80602420246010D+00 0.41868676923006D-16
|
|
1 2 2 2 -0.22670332722376D-06 0.86076935904038D-16
|
|
2 2 2 2 -0.22319359759157D-01 0.27755575615629D-16
|
|
3 2 2 2 0.53565943916001D-10 -0.16225990694054D-17
|
|
1 1 3 2 -0.15210627614923D-06 -0.12541405269324D-15
|
|
2 1 3 2 0.80602420186712D+00 -0.46672607722265D-17
|
|
3 1 3 2 -0.26509221863872D-09 -0.50496566553987D-16
|
|
1 2 3 2 -0.26482673607613D-06 -0.12633646883770D-16
|
|
2 2 3 2 0.53565959562394D-10 0.35097884758879D-17
|
|
3 2 3 2 -0.22319360597693D-01 0.69388939039072D-17
|
|
Band: 4
|
|
1 1 1 1 0.14518836129773D+01 -0.13877787807814D-16
|
|
2 1 1 1 -0.22669931203922D-06 -0.52573254458011D-16
|
|
3 1 1 1 -0.26482088484640D-06 -0.18516621442660D-15
|
|
1 2 1 1 0.16823643106380D-11 -0.14292820423847D-15
|
|
2 2 1 1 0.19759965803490D-06 -0.16556623046885D-15
|
|
3 2 1 1 0.15212076928520D-06 0.11741724540389D-16
|
|
1 1 2 1 -0.22669931205165D-06 0.56408619643179D-16
|
|
2 1 2 1 -0.22319359769496D-01 -0.69388939039072D-17
|
|
3 1 2 1 0.53564175782576D-10 -0.18454716404216D-16
|
|
1 2 2 1 -0.19757894605352D-06 -0.13747752765905D-15
|
|
2 2 2 1 -0.27051529738108D-09 -0.41698823580512D-16
|
|
3 2 2 1 0.80602420247276D+00 0.31193621972904D-16
|
|
1 1 3 1 -0.26482088490481D-06 0.16111894905405D-15
|
|
2 1 3 1 0.53564164689832D-10 0.20738317230013D-16
|
|
3 1 3 1 -0.22319360612915D-01 -0.13877787807814D-16
|
|
1 2 3 1 -0.15210012237056D-06 0.45140708806585D-16
|
|
2 2 3 1 0.80602420188867D+00 -0.19303805602890D-16
|
|
3 2 3 1 -0.26508292942945D-09 0.11301853388980D-16
|
|
1 1 1 2 0.16823358804007D-11 0.16434564406803D-15
|
|
2 1 1 2 -0.19757894601985D-06 0.12347861413978D-15
|
|
3 1 1 2 -0.15210012234887D-06 -0.65464629101241D-16
|
|
1 2 1 2 0.13681732888937D+01 -0.55511151231258D-16
|
|
2 2 1 2 0.22669501635800D-06 0.19787655965234D-16
|
|
3 2 1 2 0.26482400328824D-06 -0.17430398700341D-15
|
|
1 1 2 2 0.19759965809409D-06 0.14985715742908D-15
|
|
2 1 2 2 -0.27051526348113D-09 0.70827439603640D-16
|
|
3 1 2 2 0.80602420188867D+00 -0.49823230607851D-17
|
|
1 2 2 2 0.22669501640785D-06 -0.10536362115323D-16
|
|
2 2 2 2 -0.68403273830220D+00 -0.20816681711722D-16
|
|
3 2 2 2 0.45587153878708D-09 0.44575135229097D-17
|
|
1 1 3 2 0.15212076926031D-06 0.44877363649522D-18
|
|
2 1 3 2 0.80602420247276D+00 0.69702944985856D-17
|
|
3 1 3 2 -0.26508298087145D-09 -0.22035454896586D-16
|
|
1 2 3 2 0.26482400325260D-06 0.16569305006162D-15
|
|
2 2 3 2 0.45587158505075D-09 -0.14462666695877D-16
|
|
3 2 3 2 -0.68403273869281D+00 -0.34694469519536D-16
|
|
Band: 5
|
|
1 1 1 1 -0.21834140993939D+00 -0.13877787807814D-16
|
|
2 1 1 1 0.24658160593038D-07 -0.69424501606387D-17
|
|
3 1 1 1 0.28753426070878D-07 0.49963951114862D-16
|
|
1 2 1 1 -0.39704879868853D-03 0.32870385277182D-16
|
|
2 2 1 1 -0.22357963260860D-07 0.31026309824467D-16
|
|
3 2 1 1 -0.16974480616857D-07 0.12036975165584D-18
|
|
1 1 2 1 0.24658160577416D-07 0.10837954685061D-16
|
|
2 1 2 1 0.33390796759614D-01 0.34694469519536D-17
|
|
3 1 2 1 0.29210151260774D-02 -0.28584398197389D-16
|
|
1 2 2 1 0.22361049440607D-07 0.12593401618675D-16
|
|
2 2 2 1 -0.82155682215468D-03 -0.11103751272416D-16
|
|
3 2 2 1 -0.60452775915409D+00 -0.79019668281374D-16
|
|
1 1 3 1 0.28753426040929D-07 -0.42401588022216D-16
|
|
2 1 3 1 0.29210151260774D-02 0.34425537401655D-16
|
|
3 1 3 1 0.22031231177575D+01 0.86736173798840D-17
|
|
1 2 3 1 0.16959041814009D-07 0.61996852790089D-16
|
|
2 2 3 1 -0.41073426632619D+00 -0.36116526755139D-17
|
|
3 2 3 1 -0.82155653543282D-03 -0.56986496886414D-16
|
|
1 1 1 2 -0.39704879868852D-03 -0.34572921501163D-16
|
|
2 1 1 2 0.22361049446597D-07 -0.14886938010529D-17
|
|
3 1 1 2 0.16959041877014D-07 -0.61769636201988D-16
|
|
1 2 1 2 0.60819748378774D-01 0.00000000000000D+00
|
|
2 2 1 2 -0.24655526123667D-07 0.26963518164851D-16
|
|
3 2 1 2 -0.28747395381079D-07 0.38210202544111D-16
|
|
1 1 2 2 -0.22357963258238D-07 -0.29474968981571D-16
|
|
2 1 2 2 -0.82155682215469D-03 0.45307756017223D-17
|
|
3 1 2 2 -0.41073426632619D+00 -0.10266135132301D-16
|
|
1 2 2 2 -0.24655526115181D-07 -0.21623187190649D-16
|
|
2 2 2 2 -0.62410401469939D-01 0.34694469519536D-17
|
|
3 2 2 2 -0.18901975441766D-03 -0.69809028635890D-17
|
|
1 1 3 2 -0.16974480589804D-07 -0.11080367284196D-16
|
|
2 1 3 2 -0.60452775915409D+00 0.79019668281374D-16
|
|
3 1 3 2 -0.82155653543285D-03 0.52522633254384D-16
|
|
1 2 3 2 -0.28747395362917D-07 -0.43160686604339D-16
|
|
2 2 3 2 -0.18901975441765D-03 0.25884939417891D-18
|
|
3 2 3 2 0.54723316890429D+00 -0.34694469519536D-17
|
|
Band: 6
|
|
1 1 1 1 0.60817093621384D-01 0.20816681711722D-16
|
|
2 1 1 1 -0.24155050746602D-07 0.16625825583789D-16
|
|
3 1 1 1 -0.28354364356949D-07 -0.82465031353193D-18
|
|
1 2 1 1 0.29402603440676D-03 -0.87468364715872D-17
|
|
2 2 1 1 0.21782979117060D-07 0.94561449458749D-17
|
|
3 2 1 1 0.16288574000753D-07 0.83333145069785D-17
|
|
1 1 2 1 -0.24155050765083D-07 -0.14860397163474D-16
|
|
2 1 2 1 -0.62385911901678D-01 -0.69388939039072D-17
|
|
3 1 2 1 0.27116705504440D-02 -0.38433237453667D-16
|
|
1 2 2 1 -0.21795604438839D-07 0.30376467563011D-17
|
|
2 2 2 1 0.60838666118587D-03 0.37225717558838D-16
|
|
3 2 2 1 -0.41073414251953D+00 -0.13280346648741D-16
|
|
1 1 3 1 -0.28354364349839D-07 0.93481840430743D-17
|
|
2 1 3 1 0.27116705504440D-02 0.45588971792072D-16
|
|
3 1 3 1 0.54722533738653D+00 0.52041704279304D-17
|
|
1 2 3 1 -0.16313026370870D-07 0.38680711875547D-16
|
|
2 2 3 1 -0.60452788296611D+00 0.87528387900010D-16
|
|
3 2 3 1 0.60838694680423D-03 -0.30302389844218D-16
|
|
1 1 1 2 0.29402603440676D-03 0.87841059212664D-17
|
|
2 1 1 2 -0.21795604459172D-07 -0.11291982827294D-16
|
|
3 1 1 2 -0.16313026389891D-07 -0.45187592506575D-16
|
|
1 2 1 2 -0.21833875519482D+00 -0.69388939039072D-17
|
|
2 2 1 2 0.24160768259709D-07 0.57815749557406D-17
|
|
3 2 1 2 0.28377755030441D-07 -0.16878346606965D-16
|
|
1 1 2 2 0.21782979084850D-07 -0.10209368994221D-16
|
|
2 1 2 2 0.60838666118591D-03 -0.51252583165370D-16
|
|
3 1 2 2 -0.60452788296611D+00 -0.96202005279894D-16
|
|
1 2 2 2 0.24160768232992D-07 -0.24999575598406D-17
|
|
2 2 2 2 0.33397631472523D-01 -0.17347234759768D-16
|
|
3 2 2 2 -0.47347925680513D-02 0.17171426754443D-17
|
|
1 1 3 2 0.16288574004720D-07 -0.15992173181162D-16
|
|
2 1 3 2 -0.41073414251953D+00 0.11372823169032D-17
|
|
3 1 3 2 0.60838694680422D-03 0.46680618912327D-16
|
|
1 2 3 2 0.28377754968963D-07 0.34512566717175D-16
|
|
2 2 3 2 -0.47347925680513D-02 -0.22592437616870D-17
|
|
3 2 3 2 0.22030996249867D+01 -0.34694469519536D-17
|
|
Band: 7
|
|
1 1 1 1 -0.21753373322215D+00 0.13877787807814D-16
|
|
2 1 1 1 0.24555613555322D-07 -0.75455057840131D-16
|
|
3 1 1 1 0.28843011830739D-07 0.88451665954339D-17
|
|
1 2 1 1 0.38540105539224D-03 0.15736144043864D-16
|
|
2 2 1 1 -0.21717056046332D-07 -0.13582386162093D-16
|
|
3 2 1 1 -0.17133246343042D-07 0.17827083103410D-16
|
|
1 1 2 1 0.24555613667438D-07 0.74725974230781D-16
|
|
2 1 2 1 0.21983235409161D+01 0.52041704279304D-17
|
|
3 1 2 1 -0.52979055954274D-02 -0.61538937598241D-16
|
|
1 2 2 1 0.21701693532822D-07 0.54218085939454D-16
|
|
2 2 2 1 0.79745637693342D-03 -0.71200587596862D-16
|
|
3 2 2 1 -0.41129316089058D+00 -0.84168266592249D-17
|
|
1 1 3 1 0.28843011766088D-07 -0.48154073488716D-17
|
|
2 1 3 1 -0.52979055954274D-02 0.56009506518565D-16
|
|
3 1 3 1 0.33122347583658D-01 0.17347234759768D-16
|
|
1 2 3 1 0.17135944531962D-07 0.25707222247631D-16
|
|
2 2 3 1 -0.60396886462618D+00 0.11151754593519D-17
|
|
3 2 3 1 0.79745607407282D-03 -0.20816096486641D-16
|
|
1 1 1 2 0.38540105539225D-03 -0.11782194246081D-16
|
|
2 1 1 2 0.21701693483768D-07 -0.52443366626499D-16
|
|
3 1 1 2 0.17135944526598D-07 -0.10391490132734D-16
|
|
1 2 1 2 0.60012074105703D-01 0.00000000000000D+00
|
|
2 2 1 2 -0.24543211750856D-07 0.15874125924786D-16
|
|
3 2 1 2 -0.28842536943664D-07 0.28995407867413D-16
|
|
1 1 2 2 -0.21717056055687D-07 0.12890929344448D-16
|
|
2 1 2 2 0.79745637693340D-03 0.73829777865139D-16
|
|
3 1 2 2 -0.60396886462618D+00 -0.45846224113055D-17
|
|
1 2 2 2 -0.24543211737298D-07 -0.65072120775746D-17
|
|
2 2 2 2 0.55200087091602D+00 0.34694469519536D-17
|
|
3 2 2 2 0.26460543492992D-02 0.57687443808161D-17
|
|
1 1 3 2 -0.17133246347925D-07 -0.57279586057112D-17
|
|
2 1 3 2 -0.41129316089058D+00 -0.33216536764218D-16
|
|
3 1 3 2 0.79745607407282D-03 0.21520827898756D-16
|
|
1 2 3 2 -0.28842536939968D-07 -0.35326767389902D-16
|
|
2 2 3 2 0.26460543492992D-02 -0.30040288409780D-17
|
|
3 2 3 2 -0.62110074120454D-01 0.13877787807814D-16
|
|
Band: 8
|
|
1 1 1 1 0.60014728858177D-01 -0.69388939039072D-17
|
|
2 1 1 1 -0.25035588670688D-07 0.75508323253537D-16
|
|
3 1 1 1 -0.29225180146835D-07 -0.78002766784773D-17
|
|
1 2 1 1 -0.28237828501978D-03 0.27501938220142D-17
|
|
2 2 1 1 0.22270678669343D-07 -0.22940675236674D-16
|
|
3 2 1 1 0.17792482818500D-07 -0.14776731615466D-16
|
|
1 1 2 1 -0.25035588671129D-07 -0.70043319617411D-16
|
|
2 1 2 1 0.55200825915839D+00 0.00000000000000D+00
|
|
3 1 2 1 -0.33478125750676D-03 -0.20485317454161D-16
|
|
1 2 2 1 -0.22288401867853D-07 -0.12063998048633D-16
|
|
2 2 2 1 -0.58428503607137D-03 -0.23133182698126D-16
|
|
3 2 2 1 -0.60396898843636D+00 -0.25876369760635D-16
|
|
1 1 3 1 -0.29225180144272D-07 0.96914894914594D-17
|
|
2 1 3 1 -0.33478125750675D-03 0.22972206187299D-16
|
|
3 1 3 1 -0.62134120419116D-01 0.34694469519536D-17
|
|
1 2 3 1 -0.17808819407618D-07 0.21591567676519D-16
|
|
2 2 3 1 -0.41129303708232D+00 0.91963469343638D-16
|
|
3 2 3 1 -0.58428533718905D-03 0.90322777725807D-17
|
|
1 1 1 2 -0.28237828501979D-03 -0.84945188837550D-18
|
|
2 1 1 2 -0.22288401824229D-07 0.59896203814072D-17
|
|
3 1 1 2 -0.17808819404544D-07 -0.12450599867987D-16
|
|
1 2 1 2 -0.21753638798731D+00 -0.69388939039072D-17
|
|
2 2 1 2 0.25061026429004D-07 0.19929069255560D-16
|
|
3 2 1 2 0.29229116006433D-07 -0.29710986526558D-16
|
|
1 1 2 2 0.22270678699564D-07 0.17171070611782D-16
|
|
2 1 2 2 -0.58428503607138D-03 0.74800138328663D-17
|
|
3 1 2 2 -0.41129303708232D+00 -0.69412064155939D-16
|
|
1 2 2 2 0.25061026448076D-07 -0.25565385305268D-16
|
|
2 2 2 2 0.21983485840096D+01 0.34694469519536D-17
|
|
3 2 2 2 0.22777567967292D-02 -0.83519461695354D-16
|
|
1 1 3 2 0.17792482793521D-07 0.74882248625791D-17
|
|
2 1 3 2 -0.60396898843636D+00 0.20672199332705D-16
|
|
3 1 3 2 -0.58428533718903D-03 -0.13375862726101D-16
|
|
1 2 3 2 0.29229116064414D-07 0.30304756622584D-16
|
|
2 2 3 2 0.22777567967291D-02 0.84156430471689D-16
|
|
3 2 3 2 0.33113962532529D-01 -0.10408340855861D-16
|
|
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.21984494812931D+01 0.56657639638579D-17
|
|
2 1 1 1 0.44325419505950D-09 0.13487993475126D-16
|
|
3 1 1 1 -0.67235456639454D-08 0.73526078290506D-16
|
|
1 2 1 1 -0.42592981519231D-11 0.43334823475933D-16
|
|
2 2 1 1 -0.93124511707962D-08 0.20849397916715D-16
|
|
3 2 1 1 0.32535336765163D-09 -0.11389949435967D-16
|
|
1 1 2 1 0.44325423647602D-09 -0.13500879398106D-16
|
|
2 1 2 1 -0.22349218876490D+01 0.46820912484145D-17
|
|
3 1 2 1 -0.42646755102953D-07 -0.22957325490403D-16
|
|
1 2 2 1 0.93179245034332D-08 0.28831868037512D-16
|
|
2 2 2 1 -0.34474217361985D-09 0.39804289507120D-16
|
|
3 2 2 1 0.43445871461850D-02 0.79390373226954D-17
|
|
1 1 3 1 -0.67235456697682D-08 -0.75423431988151D-16
|
|
2 1 3 1 -0.42646755062160D-07 0.25559410704368D-16
|
|
3 1 3 1 -0.20495827416756D+01 -0.14361868067748D-17
|
|
1 2 3 1 -0.31517613912466D-09 -0.13115977008822D-17
|
|
2 2 3 1 0.35010147623390D+00 0.17860974314246D-16
|
|
3 2 3 1 -0.28493382189357D-09 -0.28641517018978D-16
|
|
1 1 1 2 -0.42592990044118D-11 -0.45869146038889D-16
|
|
2 1 1 2 0.93179245397421D-08 -0.34395180369209D-16
|
|
3 1 1 2 -0.31517618270959D-09 -0.59545398651929D-17
|
|
1 2 1 2 -0.23010355699728D+00 -0.74218339244474D-18
|
|
2 2 1 2 -0.45208901843134D-09 -0.13526459629281D-17
|
|
3 2 1 2 0.67166065186245D-08 0.12572629740784D-16
|
|
1 1 2 2 -0.93124511705110D-08 -0.19409441889975D-16
|
|
2 1 2 2 -0.34474216082677D-09 -0.40454810810611D-16
|
|
3 1 2 2 0.35010147623390D+00 -0.92724827115848D-17
|
|
1 2 2 2 -0.45208901582926D-09 -0.44803655423532D-17
|
|
2 2 2 2 -0.33429951513066D+00 0.11612105420145D-17
|
|
3 2 2 2 0.43332105426563D-07 -0.27523136734482D-16
|
|
1 1 3 2 0.32535336158009D-09 0.25478073867315D-16
|
|
2 1 3 2 0.43445871461850D-02 0.76872988374686D-17
|
|
3 1 3 2 -0.28493383019587D-09 0.39917219612827D-16
|
|
1 2 3 2 0.67166065199020D-08 -0.10160279957339D-16
|
|
2 2 3 2 0.43332105426130D-07 0.30992583686435D-16
|
|
3 2 3 2 -0.29516387340421D+00 -0.30184205191045D-17
|
|
Band: 2
|
|
1 1 1 1 -0.23010355700654D+00 0.25591954775361D-17
|
|
2 1 1 1 -0.45209694124703D-09 0.32213313570133D-17
|
|
3 1 1 1 0.67164599482929D-08 0.62946002532315D-17
|
|
1 2 1 1 -0.53601400933859D-11 0.59027555251750D-16
|
|
2 2 1 1 0.93199128288266D-08 0.22542695233953D-18
|
|
3 2 1 1 -0.31516329484044D-09 -0.89261014647541D-17
|
|
1 1 2 1 -0.45209694037967D-09 -0.13885456581924D-17
|
|
2 1 2 1 -0.33429951514156D+00 0.37523755501773D-17
|
|
3 1 2 1 0.43332648787673D-07 -0.26381609461252D-16
|
|
1 2 2 1 -0.93104688438555D-08 -0.35295253054189D-18
|
|
2 2 2 1 -0.34006329774541D-09 -0.19500541123903D-17
|
|
3 2 2 1 0.35010147623850D+00 0.13525685950999D-16
|
|
1 1 3 1 0.67164599418603D-08 -0.93032613093942D-17
|
|
2 1 3 1 0.43332648785550D-07 0.28333173371726D-16
|
|
3 1 3 1 -0.29516387342152D+00 0.71963637957317D-18
|
|
1 2 3 1 0.32533565152310D-09 -0.65412895926520D-17
|
|
2 2 3 1 0.43445871557932D-02 -0.29361597850312D-16
|
|
3 2 3 1 -0.28566327231191D-09 -0.68350804852377D-17
|
|
1 1 1 2 -0.53601712091500D-11 -0.42845837802806D-16
|
|
2 1 1 2 -0.93104688447686D-08 0.12946638418693D-16
|
|
3 1 1 2 0.32533565152310D-09 -0.24461908465643D-17
|
|
1 2 1 2 -0.21984494812681D+01 0.25812878771129D-17
|
|
2 2 1 2 0.44323123149452D-09 -0.12525837119545D-16
|
|
3 2 1 2 -0.67236744501302D-08 0.43653570654996D-16
|
|
1 1 2 2 0.93199128178860D-08 -0.11944326181585D-17
|
|
2 1 2 2 -0.34006330932890D-09 -0.36877971845343D-17
|
|
3 1 2 2 0.43445871557932D-02 0.19518977602700D-16
|
|
1 2 2 2 0.44323131476125D-09 0.15625954855631D-16
|
|
2 2 2 2 -0.22349218876596D+01 -0.45824829862315D-17
|
|
3 2 2 2 -0.42646205145492D-07 0.42724274400236D-16
|
|
1 1 3 2 -0.31516330893507D-09 0.10681705606336D-16
|
|
2 1 3 2 0.35010147623850D+00 -0.17772195107481D-16
|
|
3 1 3 2 -0.28566328125984D-09 0.17243421341099D-16
|
|
1 2 3 2 -0.67236744561457D-08 -0.42975944150174D-16
|
|
2 2 3 2 -0.42646205206973D-07 -0.46627402221184D-16
|
|
3 2 3 2 -0.20495827416480D+01 0.17271222031353D-17
|
|
Band: 3
|
|
1 1 1 1 -0.31364534013931D+01 -0.33847582362865D-17
|
|
2 1 1 1 0.44000224196258D-09 0.13283858335459D-16
|
|
3 1 1 1 -0.55929615053627D-07 0.17256895426525D-15
|
|
1 2 1 1 -0.12210644640610D-10 -0.28791545192224D-16
|
|
2 2 1 1 -0.90466716607643D-08 0.88516621981437D-17
|
|
3 2 1 1 0.26825273639978D-08 -0.23946916453586D-16
|
|
1 1 2 1 0.44000224716675D-09 -0.12108503289313D-16
|
|
2 1 2 1 -0.15200597158624D+01 -0.20363317252871D-17
|
|
3 1 2 1 -0.20397300925514D-06 0.70823576011479D-16
|
|
1 2 2 1 0.90546025740476D-08 0.42244624029158D-16
|
|
2 2 2 1 -0.34945895414792D-09 -0.48039875920269D-17
|
|
3 2 2 1 0.66282161605398D+00 -0.84515228855968D-16
|
|
1 1 3 1 -0.55929615078567D-07 -0.17972469121444D-15
|
|
2 1 3 1 -0.20397300917573D-06 -0.43068000395850D-16
|
|
3 1 3 1 -0.53324160070846D+01 0.83743665953195D-17
|
|
1 2 3 1 -0.26671652429630D-08 0.57175897712913D-17
|
|
2 2 3 1 -0.35044705551124D+00 -0.36903088755513D-16
|
|
3 2 3 1 -0.68079904378296D-09 -0.19128689831657D-15
|
|
1 1 1 2 -0.12210633868198D-10 0.29008386560236D-16
|
|
2 1 1 2 0.90546025390010D-08 -0.51568762321561D-16
|
|
3 1 1 2 -0.26671651987276D-08 0.16241493300044D-16
|
|
1 2 1 2 -0.82070929955710D+00 0.95500275948944D-17
|
|
2 2 1 2 -0.44136452469331D-09 -0.95828908124083D-17
|
|
3 2 1 2 0.55929942902542D-07 0.27745629361389D-16
|
|
1 1 2 2 -0.90466716821416D-08 -0.14110041817045D-16
|
|
2 1 2 2 -0.34945898197791D-09 0.30692641160501D-17
|
|
3 1 2 2 -0.35044705551124D+00 0.19774937744063D-16
|
|
1 2 2 2 -0.44136451081552D-09 0.73952497619069D-17
|
|
2 2 2 2 -0.70538919968191D+00 0.27677082792943D-17
|
|
3 2 2 2 0.20511359941910D-06 0.88971516331361D-18
|
|
1 1 3 2 0.26825273431811D-08 0.19573636930997D-16
|
|
2 1 3 2 0.66282161605398D+00 0.10046608844316D-15
|
|
3 1 3 2 -0.68079902741819D-09 0.12883685318140D-15
|
|
1 2 3 2 0.55929942901125D-07 -0.17337289179228D-16
|
|
2 2 3 2 0.20511359942280D-06 -0.32114737730896D-16
|
|
3 2 3 2 -0.16190847486902D+01 0.66631251225718D-17
|
|
Band: 4
|
|
1 1 1 1 -0.82070929959074D+00 -0.19569050182741D-16
|
|
2 1 1 1 -0.44139797684446D-09 0.18744895113105D-17
|
|
3 1 1 1 0.55927624306869D-07 0.15151124549683D-15
|
|
1 2 1 1 0.18930203783811D-11 -0.69504540663847D-16
|
|
2 2 1 1 0.90544596291772D-08 0.45525601738149D-18
|
|
3 2 1 1 -0.26673030485789D-08 0.11696243369282D-16
|
|
1 1 2 1 -0.44139795949722D-09 0.86689495841198D-17
|
|
2 1 2 1 -0.70538919968154D+00 0.34717463072614D-17
|
|
3 1 2 1 0.20511693117145D-06 -0.22579886999528D-16
|
|
1 2 2 1 -0.90468200595096D-08 -0.30405673587459D-17
|
|
2 2 2 1 -0.34633884175466D-09 -0.41213822910334D-16
|
|
3 2 2 1 -0.35044705550926D+00 0.90818603543707D-16
|
|
1 1 3 1 0.55927624298221D-07 -0.11898518045636D-15
|
|
2 1 3 1 0.20511693119108D-06 0.39927121759296D-16
|
|
3 1 3 1 -0.16190847488133D+01 0.56027672584238D-17
|
|
1 2 3 1 0.26827382260079D-08 0.46219959225480D-16
|
|
2 2 3 1 0.66282161606399D+00 -0.53905600853274D-16
|
|
3 2 3 1 -0.64832794242099D-09 -0.32210725481692D-16
|
|
1 1 1 2 0.18930179116293D-11 0.57795158563110D-16
|
|
2 1 1 2 -0.90468200655028D-08 -0.54704192299762D-17
|
|
3 1 1 2 0.26827382572329D-08 -0.21606518062700D-16
|
|
1 2 1 2 -0.31364534015137D+01 -0.99748307996631D-17
|
|
2 2 1 2 0.43999216637818D-09 0.47329316942042D-16
|
|
3 2 1 2 -0.55931683153735D-07 -0.60674039067508D-16
|
|
1 1 2 2 0.90544595987962D-08 0.39357629152785D-17
|
|
2 1 2 2 -0.34633886124993D-09 0.42948546386311D-16
|
|
3 1 2 2 0.66282161606399D+00 0.66685852337129D-16
|
|
1 2 2 2 0.43999218546014D-09 -0.36137194745236D-16
|
|
2 2 2 2 -0.15200597159032D+01 -0.48966064782097D-17
|
|
3 2 2 2 -0.20396969621508D-06 -0.92506827512948D-16
|
|
1 1 3 2 -0.26673031435550D-08 -0.15778666930699D-16
|
|
2 1 3 2 -0.35044705550926D+00 -0.88895095945250D-16
|
|
3 1 3 2 -0.64832794959518D-09 -0.30239319653473D-16
|
|
1 2 3 2 -0.55931683171429D-07 0.66311891230387D-16
|
|
2 2 3 2 -0.20396969612461D-06 0.69955422325250D-16
|
|
3 2 3 2 -0.53324160072463D+01 -0.21573656196965D-17
|
|
Band: 5
|
|
1 1 1 1 -0.67526559397283D+00 0.25454386189973D-17
|
|
2 1 1 1 -0.60444704414941D-02 -0.79111493973469D-16
|
|
3 1 1 1 0.11284376581825D-07 0.10631861979408D-17
|
|
1 2 1 1 0.72927253207038D-11 0.24891847562020D-16
|
|
2 2 1 1 0.42189180815350D-07 0.25071790972985D-16
|
|
3 2 1 1 -0.19836967395074D-02 -0.23698427621074D-16
|
|
1 1 2 1 -0.60444704414941D-02 0.81053120058516D-16
|
|
2 1 2 1 0.43868453323882D+01 -0.56214003289022D-17
|
|
3 1 2 1 0.13217095835117D-06 0.76041836450190D-16
|
|
1 2 2 1 -0.42158203646618D-07 0.52679109549207D-16
|
|
2 2 2 1 0.14935500902355D-09 0.47945706741351D-15
|
|
3 2 2 1 0.95052565083092D+00 0.12417195387568D-15
|
|
1 1 3 1 0.11284376605480D-07 -0.12061061985091D-16
|
|
2 1 3 1 0.13217095837137D-06 -0.65633495594329D-16
|
|
3 1 3 1 -0.60715808691402D+00 -0.82563039336704D-17
|
|
1 2 3 1 -0.37305874153880D-03 -0.75910622778209D-17
|
|
2 2 3 1 0.99128331339519D-01 -0.86474361893453D-16
|
|
3 2 3 1 -0.30556490280572D-09 0.51423071611045D-16
|
|
1 1 1 2 0.72927303105312D-11 -0.10905640157342D-16
|
|
2 1 1 2 -0.42158203637765D-07 -0.50720769375155D-16
|
|
3 1 1 2 -0.37305874153878D-03 -0.76921994825159D-17
|
|
1 2 1 2 -0.17577009706407D+00 0.48947995748630D-17
|
|
2 2 1 2 -0.41343841215824D-03 0.98527838670628D-17
|
|
3 2 1 2 -0.11316699734706D-07 0.62589311140667D-16
|
|
1 1 2 2 0.42189180812484D-07 -0.38997012625846D-16
|
|
2 1 2 2 0.14935500908559D-09 -0.50200847260121D-15
|
|
3 1 2 2 0.99128331339519D-01 0.73938121659266D-16
|
|
1 2 2 2 -0.41343841215823D-03 -0.31355115015933D-17
|
|
2 2 2 2 0.49855793393365D+00 -0.80694942913121D-17
|
|
3 2 2 2 -0.13212531247183D-06 0.14330046510675D-16
|
|
1 1 3 2 -0.19836967395074D-02 0.20610288752727D-16
|
|
2 1 3 2 0.95052565083092D+00 -0.13382663724055D-15
|
|
3 1 3 2 -0.30556489568164D-09 -0.97897081876015D-17
|
|
1 2 3 2 -0.11316699733222D-07 -0.56904025998696D-16
|
|
2 2 3 2 -0.13212531246486D-06 -0.17799493462629D-16
|
|
3 2 3 2 -0.52471075673741D+00 0.99096369732751D-17
|
|
Band: 6
|
|
1 1 1 1 -0.17576971316839D+00 0.63911206931858D-17
|
|
2 1 1 1 -0.66842466477035D-03 -0.15270935538040D-16
|
|
3 1 1 1 -0.11274276567802D-07 0.20763046401970D-16
|
|
1 2 1 1 -0.57522105274697D-10 -0.17713480072635D-16
|
|
2 2 1 1 -0.42220550804885D-07 -0.47686254378816D-17
|
|
3 2 1 1 0.10884705400211D-04 0.16214769517181D-16
|
|
1 1 2 1 -0.66842466477036D-03 0.18008718904314D-16
|
|
2 1 2 1 0.49855410710198D+00 0.67442516883286D-19
|
|
3 1 2 1 -0.13211658069070D-06 0.26656984445634D-16
|
|
1 2 2 1 0.41995803155262D-07 -0.17800431555785D-16
|
|
2 2 2 1 0.23406952401696D-09 0.20547808209869D-15
|
|
3 2 2 1 0.99127370587633D-01 -0.59410239660364D-16
|
|
1 1 3 1 -0.11274276568001D-07 -0.21261101774956D-16
|
|
2 1 3 1 -0.13211658069586D-06 -0.78698688724938D-16
|
|
3 1 3 1 -0.52471073017705D+00 -0.44223457827249D-17
|
|
1 2 3 1 0.18581592810787D-02 0.38251826826824D-16
|
|
2 2 3 1 0.95052679497357D+00 -0.23593504537897D-16
|
|
3 2 3 1 -0.31623742545964D-09 -0.47667690910931D-16
|
|
1 1 1 2 -0.57522135736613D-10 0.15467149006709D-16
|
|
2 1 1 2 0.41995803150171D-07 0.21937340470175D-16
|
|
3 1 1 2 0.18581592810787D-02 -0.34177124169244D-16
|
|
1 2 1 2 -0.67526665408159D+00 0.56973481494883D-17
|
|
2 2 1 2 0.57899221891804D-02 -0.56239877222998D-16
|
|
3 2 1 2 0.11420616445260D-07 0.24537599849407D-16
|
|
1 1 2 2 -0.42220550788733D-07 -0.82113074458433D-17
|
|
2 1 2 2 0.23406954313222D-09 -0.15083429260542D-15
|
|
3 1 2 2 0.95052679497357D+00 0.12012840304534D-16
|
|
1 2 2 2 0.57899221891804D-02 0.63335517277641D-16
|
|
2 2 2 2 0.43868510658128D+01 -0.79473991241768D-17
|
|
3 2 2 2 0.13217658598618D-06 0.63946700283556D-16
|
|
1 1 3 2 0.10884705400218D-04 -0.13836199464871D-16
|
|
2 1 3 2 0.99127370587633D-01 0.53839239652980D-16
|
|
3 1 3 2 -0.31623741744643D-09 0.42996040115103D-17
|
|
1 2 3 2 0.11420616425391D-07 -0.19621420623543D-16
|
|
2 2 3 2 0.13217658599489D-06 -0.11904996004252D-16
|
|
3 2 3 2 -0.60715810450667D+00 -0.17784701634426D-17
|
|
Band: 7
|
|
1 1 1 1 0.11718989948092D+01 0.13767963348079D-16
|
|
2 1 1 1 0.70143287364034D-02 -0.63017531680891D-16
|
|
3 1 1 1 -0.47705871882456D-08 -0.48333680980467D-16
|
|
1 2 1 1 0.48161429061026D-10 0.46838978615712D-16
|
|
2 2 1 1 -0.51317782301845D-08 -0.43476935405880D-16
|
|
3 2 1 1 0.22626727491302D-02 0.77440633756888D-16
|
|
1 1 2 1 0.70143287364035D-02 0.74090294287320D-16
|
|
2 1 2 1 -0.84862174072227D+00 0.98412027185361D-18
|
|
3 1 2 1 -0.29589769449562D-07 0.29036074243121D-16
|
|
1 2 2 1 0.53264497711177D-08 0.11091564403619D-15
|
|
2 2 2 1 -0.24423235737109D-09 0.11812793695984D-16
|
|
3 2 2 1 0.14711060780740D+00 0.43859450027785D-16
|
|
1 1 3 1 -0.47705871767380D-08 0.46165276635496D-16
|
|
2 1 3 1 -0.29589769438339D-07 -0.38902310704017D-16
|
|
3 1 3 1 -0.93702396262679D+00 0.17846905911335D-16
|
|
1 2 3 1 0.10858491643719D-03 -0.17833160097641D-17
|
|
2 2 3 1 0.32377791351216D+00 -0.16332165558161D-16
|
|
3 2 3 1 -0.23450978799295D-09 -0.23801797251480D-16
|
|
1 1 1 2 0.48161431073081D-10 -0.28986289557834D-15
|
|
2 1 1 2 0.53264497713575D-08 -0.10722935664974D-15
|
|
3 1 1 2 0.10858491643720D-03 0.19620958017245D-16
|
|
1 2 1 2 0.11096893121609D+00 0.22448807727426D-17
|
|
2 2 1 2 -0.51668250859318D-03 0.14698277129213D-16
|
|
3 2 1 2 0.46123852261354D-08 0.26803298591349D-16
|
|
1 1 2 2 -0.51317782317868D-08 0.32472283355153D-16
|
|
2 1 2 2 -0.24423235589164D-09 -0.17613277800323D-16
|
|
3 1 2 2 0.32377791351216D+00 0.91974692443566D-17
|
|
1 2 2 2 -0.51668250859318D-03 -0.18440504853485D-16
|
|
2 2 2 2 -0.28289449123407D+00 -0.42557047520987D-17
|
|
3 2 2 2 0.30080346804845D-07 -0.92834374786048D-18
|
|
1 1 3 2 0.22626727491302D-02 -0.82511581228321D-16
|
|
2 1 3 2 0.14711060780740D+00 -0.24345953850745D-16
|
|
3 1 3 2 -0.23450976350757D-09 -0.31338504712070D-17
|
|
1 2 3 2 0.46123852229685D-08 -0.29513804022563D-16
|
|
2 2 3 2 0.30080346800904D-07 0.94664391649063D-17
|
|
3 2 3 2 -0.22331795056003D+00 0.10736014845818D-17
|
|
Band: 8
|
|
1 1 1 1 0.11097003238613D+00 -0.69008704661750D-17
|
|
2 1 1 1 -0.30143364352758D-03 -0.72463798570146D-17
|
|
3 1 1 1 0.47432195020732D-08 0.41036937365434D-16
|
|
1 2 1 1 0.18911225483199D-12 0.52139987765103D-15
|
|
2 2 1 1 0.51591866384134D-08 0.55572992322303D-16
|
|
3 2 1 1 -0.28986069355983D-03 0.20822093467119D-16
|
|
1 1 2 1 -0.30143364352758D-03 0.37154557724173D-17
|
|
2 1 2 1 -0.28289485198548D+00 0.12179146454220D-17
|
|
3 1 2 1 0.30080297810892D-07 0.13512367082929D-16
|
|
1 2 2 1 -0.51655485431099D-08 0.13817901055925D-15
|
|
2 2 2 1 -0.24340655097938D-09 -0.20022117128637D-16
|
|
3 2 2 1 0.32377847146346D+00 0.14679125128027D-16
|
|
1 1 3 1 0.47432195042452D-08 -0.24123383474660D-16
|
|
2 1 3 1 0.30080297783271D-07 -0.26970026548905D-16
|
|
3 1 3 1 -0.22331799699387D+00 -0.53954945183417D-17
|
|
1 2 3 1 -0.15936854330028D-02 -0.99942590998152D-16
|
|
2 2 3 1 0.14710906087229D+00 -0.26436319556072D-16
|
|
3 2 3 1 -0.23393422071327D-09 0.41385980638011D-16
|
|
1 1 1 2 0.18909293828999D-12 -0.60211872939258D-15
|
|
2 1 1 2 -0.51655485589896D-08 -0.12798751013788D-15
|
|
3 1 1 2 -0.15936854330029D-02 0.10114719729626D-15
|
|
1 2 1 2 0.11719015399143D+01 -0.66539759363103D-16
|
|
2 2 1 2 -0.48598012822249D-02 -0.70566627354470D-16
|
|
3 2 1 2 -0.47349918646322D-08 0.11888671034627D-15
|
|
1 1 2 2 0.51591866341332D-08 -0.61156633510603D-16
|
|
2 1 2 2 -0.24340650412467D-09 0.34279375696822D-16
|
|
3 1 2 2 0.14710906087229D+00 0.49119547503211D-16
|
|
1 2 2 2 -0.48598012822249D-02 0.83096048944997D-16
|
|
2 2 2 2 -0.84863166172268D+00 -0.63867116831960D-17
|
|
3 2 2 2 -0.29589693620860D-07 0.16433731063940D-16
|
|
1 1 3 2 -0.28986069355982D-03 -0.24702710907018D-16
|
|
2 1 3 2 0.32377847146346D+00 -0.51541975127081D-16
|
|
3 1 3 2 -0.23393427639017D-09 -0.33322226980150D-16
|
|
1 2 3 2 -0.47349918899500D-08 -0.87878528213189D-16
|
|
2 2 3 2 -0.29589693560019D-07 -0.15878077450541D-16
|
|
3 2 3 2 -0.93702396486506D+00 0.18674450624721D-17
|
|
K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.27220347447942D+01 -0.46950746753091D-17
|
|
2 1 1 1 0.99899780610699D-10 0.71326061462519D-16
|
|
3 1 1 1 0.77289375579263D-10 -0.19825224575768D-15
|
|
1 2 1 1 -0.43224589904133D-11 0.37755106118291D-17
|
|
2 2 1 1 -0.12994026071309D-09 0.38305112824046D-16
|
|
3 2 1 1 -0.15103433172500D-09 -0.30433455531184D-16
|
|
1 1 2 1 0.99899783844380D-10 -0.69732036652449D-16
|
|
2 1 2 1 -0.47901590082936D+01 -0.44432291269739D-18
|
|
3 1 2 1 0.11089684328617D-08 -0.30761362544655D-16
|
|
1 2 2 1 0.14689682274266D-09 0.91316116786847D-17
|
|
2 2 2 1 -0.57240543469959D-09 0.62594691733477D-16
|
|
3 2 2 1 0.51084588926475D+00 0.91325044606800D-17
|
|
1 1 3 1 0.77289422710143D-10 0.20875309242773D-15
|
|
2 1 3 1 0.11089684003763D-08 0.28536206992218D-16
|
|
3 1 3 1 -0.47901590062962D+01 0.59114636087096D-17
|
|
1 2 3 1 0.17287107564911D-09 0.41511596540440D-17
|
|
2 2 3 1 0.51084588940128D+00 0.26253949728580D-17
|
|
3 2 3 1 -0.55602464405735D-09 0.38464502394556D-16
|
|
1 1 1 2 -0.43224602791475D-11 -0.40243265400851D-17
|
|
2 1 1 2 0.14689683317801D-09 -0.10040253115510D-16
|
|
3 1 1 2 0.17287108679427D-09 -0.39366197122280D-17
|
|
1 2 1 2 -0.14538916898760D-01 0.36056182515727D-19
|
|
2 2 1 2 -0.11650257234520D-09 0.12737761150369D-17
|
|
3 2 1 2 -0.89916609744432D-10 0.79457299725438D-18
|
|
1 1 2 2 -0.12994027662456D-09 -0.38242408798377D-16
|
|
2 1 2 2 -0.57240543267396D-09 -0.62771582653110D-16
|
|
3 1 2 2 0.51084588940128D+00 -0.25353352700760D-17
|
|
1 2 2 2 -0.11650257220838D-09 -0.12962674273108D-17
|
|
2 2 2 2 -0.83662409799809D-01 -0.11150571362058D-19
|
|
3 2 2 2 0.12740153423028D-09 0.18921449136325D-17
|
|
1 1 3 2 -0.15103434363183D-09 0.30385894649291D-16
|
|
2 1 3 2 0.51084588926475D+00 -0.91723725600498D-17
|
|
3 1 3 2 -0.55602463970696D-09 -0.38278241172944D-16
|
|
1 2 3 2 -0.89916609482219D-10 -0.79220552879307D-18
|
|
2 2 3 2 0.12740153420902D-09 -0.18862156830017D-17
|
|
3 2 3 2 -0.83662409635820D-01 -0.25413537006333D-20
|
|
Band: 2
|
|
1 1 1 1 -0.14538916899111D-01 0.12304001418997D-19
|
|
2 1 1 1 -0.11651104990828D-09 0.41243970878516D-19
|
|
3 1 1 1 -0.89915648209245D-10 0.92616009051098D-18
|
|
1 2 1 1 -0.42683706026886D-11 0.17470182407331D-17
|
|
2 2 1 1 0.14687773951932D-09 0.15716869574380D-17
|
|
3 2 1 1 0.17287962438832D-09 0.50501550314519D-18
|
|
1 1 2 1 -0.11651104924359D-09 -0.16841884314260D-19
|
|
2 1 2 1 -0.83662409802116D-01 -0.87495675527650D-21
|
|
3 1 2 1 0.12740804503063D-09 0.66456155220921D-17
|
|
1 2 2 1 -0.12992091561564D-09 0.86512370929907D-18
|
|
2 2 2 1 -0.57243581445563D-09 -0.32606527522852D-16
|
|
3 2 2 1 0.51084588941080D+00 0.26850109649327D-16
|
|
1 1 3 1 -0.89915648755480D-10 -0.93115168606804D-18
|
|
2 1 3 1 0.12740804453057D-09 -0.66625561810372D-17
|
|
3 1 3 1 -0.83662409638199D-01 0.95195111443385D-20
|
|
1 2 3 1 -0.15113111185787D-09 0.14528631537561D-16
|
|
2 2 3 1 0.51084588927464D+00 -0.55101588790526D-16
|
|
3 2 3 1 -0.55605980888932D-09 0.25802667516214D-16
|
|
1 1 1 2 -0.42683716019444D-11 -0.11890352867294D-17
|
|
2 1 1 2 -0.12992090904333D-09 -0.78876064404547D-18
|
|
3 1 1 2 -0.15113110951854D-09 -0.14423144709560D-16
|
|
1 2 1 2 -0.27220347450343D+01 -0.57005644086556D-17
|
|
2 2 1 2 0.99871120736606D-10 -0.17248188963855D-16
|
|
3 2 1 2 0.77342726964001D-10 -0.44793015687759D-16
|
|
1 1 2 2 0.14687775029557D-09 -0.17327875678643D-17
|
|
2 1 2 2 -0.57243580578529D-09 0.32463756149125D-16
|
|
3 1 2 2 0.51084588927464D+00 0.54989151220383D-16
|
|
1 2 2 2 0.99871075515004D-10 0.59091835140412D-17
|
|
2 2 2 2 -0.47901590083374D+01 0.71040878402129D-17
|
|
3 2 2 2 0.11090779848880D-08 -0.72988968526433D-16
|
|
1 1 3 2 0.17287961980402D-09 -0.10402247014699D-17
|
|
2 1 3 2 0.51084588941080D+00 -0.26658037907196D-16
|
|
3 1 3 2 -0.55605981698464D-09 -0.25986930269466D-16
|
|
1 2 3 2 0.77342773436027D-10 0.51266970570603D-16
|
|
2 2 3 2 0.11090781248061D-08 0.77939876103134D-16
|
|
3 2 3 2 -0.47901590063387D+01 0.81017886825841D-18
|
|
Band: 3
|
|
1 1 1 1 -0.11325750456710D+01 0.34694469519536D-17
|
|
2 1 1 1 0.85381630503733D-01 -0.24542647548246D-16
|
|
3 1 1 1 0.51085454311385D-01 0.34637226755741D-16
|
|
1 2 1 1 0.98593071226487D-01 0.52064465870533D-16
|
|
2 2 1 1 -0.17210898472594D+00 -0.29145336435963D-16
|
|
3 2 1 1 -0.31023859795128D+00 -0.15117145084080D-15
|
|
1 1 2 1 0.85381630503733D-01 0.18471115382327D-16
|
|
2 1 2 1 -0.39580169168993D+00 -0.69388939039072D-17
|
|
3 1 2 1 0.37307605266419D+00 0.56248304753325D-16
|
|
1 2 2 1 0.35237509178368D-01 0.64529146604891D-16
|
|
2 2 2 1 -0.40472338765467D+00 0.51397298233533D-16
|
|
3 2 2 1 0.16845906681526D+00 -0.72636298393888D-17
|
|
1 1 3 1 0.51085454311385D-01 -0.48515014563555D-16
|
|
2 1 3 1 0.37307605266419D+00 -0.51911496063383D-16
|
|
3 1 3 1 -0.59650188599203D+00 0.13877787807814D-16
|
|
1 2 3 1 0.45498578313498D-01 0.95231116037156D-17
|
|
2 2 3 1 0.10587647119059D+00 0.18867574179112D-15
|
|
3 2 3 1 -0.40472331375807D+00 -0.29074808665584D-16
|
|
1 1 1 2 0.98593071226487D-01 -0.52931827608521D-16
|
|
2 1 1 2 0.35237509178368D-01 -0.53253444011041D-16
|
|
3 1 1 2 0.45498578313498D-01 -0.16895686376617D-16
|
|
1 2 1 2 -0.32126384439735D+00 0.69388939039072D-17
|
|
2 2 1 2 -0.12545350348769D+00 -0.86194411171410D-16
|
|
3 2 1 2 -0.71802740715390D-01 0.36317841425219D-16
|
|
1 1 2 2 -0.17210898472594D+00 0.29579017304958D-16
|
|
2 1 2 2 -0.40472338765467D+00 -0.50096255626550D-16
|
|
3 1 2 2 0.10587647119059D+00 -0.16092016617549D-15
|
|
1 2 2 2 -0.12545350348769D+00 0.90097538992358D-16
|
|
2 2 2 2 -0.39096208983170D+00 -0.27755575615629D-16
|
|
3 2 2 2 0.34028738961914D+00 0.51883460968887D-16
|
|
1 1 3 2 -0.31023859795128D+00 0.15122566094942D-15
|
|
2 1 3 2 0.16845906681526D+00 0.35019205455018D-16
|
|
3 1 3 2 -0.40472331375807D+00 0.22135914761677D-16
|
|
1 2 3 2 -0.71802740715390D-01 -0.41522011853149D-16
|
|
2 2 3 2 0.34028738961914D+00 -0.87011611357417D-16
|
|
3 2 3 2 -0.62440834823919D+00 -0.13877787807814D-16
|
|
Band: 4
|
|
1 1 1 1 -0.73443334741086D+00 0.26020852139652D-17
|
|
2 1 1 1 -0.10095734776412D+00 0.18342798906545D-16
|
|
3 1 1 1 0.11151929184767D-01 0.33283986177146D-16
|
|
1 2 1 1 -0.45426448485187D-01 0.88532685292547D-17
|
|
2 2 1 1 -0.38263059183631D-01 -0.10690763635411D-15
|
|
3 2 1 1 0.33871435528774D+00 -0.38079877309685D-16
|
|
1 1 2 1 -0.10095734776412D+00 -0.20728043686013D-16
|
|
2 1 2 1 0.11735201559812D+00 0.86736173798840D-17
|
|
3 1 2 1 -0.28241929916202D+00 0.92537186977642D-18
|
|
1 2 2 1 0.72820707897993D-02 -0.43467693333384D-16
|
|
2 2 2 1 0.18647499170087D+00 0.11201790092962D-15
|
|
3 2 2 1 -0.47844778608116D+00 0.13018613642916D-17
|
|
1 1 3 1 0.11151929184767D-01 -0.33283986177146D-16
|
|
2 1 3 1 -0.28241929916202D+00 -0.21742053581498D-16
|
|
3 1 3 1 -0.55163829803941D+00 -0.34694469519536D-17
|
|
1 2 3 1 -0.70476944078360D-01 0.15742100932439D-16
|
|
2 2 3 1 0.13235991415152D+00 0.15168875461831D-16
|
|
3 2 3 1 0.18647497207962D+00 -0.31793044329678D-16
|
|
1 1 1 2 -0.45426448485187D-01 -0.97206302672431D-17
|
|
2 1 1 2 0.72820707897993D-02 0.41299288988413D-16
|
|
3 1 1 2 -0.70476944078360D-01 -0.15552365552254D-16
|
|
1 2 1 2 -0.41855340778826D+00 -0.17347234759768D-17
|
|
2 2 1 2 0.14155859769340D+00 0.35972644380780D-16
|
|
3 2 1 2 -0.15841308798933D-01 -0.14533848345764D-16
|
|
1 1 2 2 -0.38263059183631D-01 0.94764572022276D-16
|
|
2 1 2 2 0.18647499170087D+00 -0.16405960520892D-15
|
|
3 1 2 2 0.13235991415152D+00 -0.90973432959121D-17
|
|
1 2 2 2 0.14155859769340D+00 -0.35430543294537D-16
|
|
2 2 2 2 -0.17420601615294D+00 -0.17347234759768D-17
|
|
3 2 2 2 -0.46260623507682D-01 -0.36913980154383D-16
|
|
1 1 3 2 0.33871435528774D+00 0.44747720670471D-16
|
|
2 1 3 2 -0.47844778608116D+00 -0.14312287434118D-16
|
|
3 1 3 2 0.18647497207962D+00 0.35262491281632D-16
|
|
1 2 3 2 -0.15841308798933D-01 0.12799124869787D-16
|
|
2 2 3 2 -0.46260623507682D-01 -0.12499363171063D-17
|
|
3 2 3 2 -0.52359256429872D+00 -0.10408340855861D-16
|
|
Band: 5
|
|
1 1 1 1 -0.80040718059973D+00 0.34694469519536D-17
|
|
2 1 1 1 -0.30248914004031D-01 -0.55274016718287D-16
|
|
3 1 1 1 -0.11365546182312D+00 -0.35079029563584D-16
|
|
1 2 1 1 -0.45976018580665D-01 -0.90840317975985D-17
|
|
2 2 1 1 0.37724096964790D+00 -0.59316860309002D-16
|
|
3 2 1 1 0.17352854577262D-02 0.32095281928363D-16
|
|
1 1 2 1 -0.30248914004031D-01 0.55490857152784D-16
|
|
2 1 2 1 -0.57709687460955D+00 -0.69388939039072D-17
|
|
3 1 2 1 -0.15856042569190D+00 -0.11132465039231D-15
|
|
1 2 2 1 -0.81758814765277D-01 -0.44554396175556D-16
|
|
2 2 2 1 0.18873100208939D+00 -0.36078819951016D-16
|
|
3 2 2 1 0.26178269476943D+00 -0.17910457888475D-16
|
|
1 1 3 1 -0.11365546182312D+00 0.27272773921689D-16
|
|
2 1 3 1 -0.15856042569190D+00 0.10958992691634D-15
|
|
3 1 3 1 -0.75735436740281D-01 0.13877787807814D-16
|
|
1 2 3 1 -0.80281164985800D-01 -0.17984499826599D-15
|
|
2 2 3 1 -0.34391968482831D+00 0.47450359748919D-17
|
|
3 2 3 1 0.18873102725370D+00 0.30538978085520D-16
|
|
1 1 1 2 -0.45976018580665D-01 0.13420840487541D-16
|
|
2 1 1 2 -0.81758814765277D-01 0.51926970948458D-16
|
|
3 1 1 2 -0.80281164985800D-01 0.18816624993981D-15
|
|
1 2 1 2 -0.48057301575333D+00 -0.34694469519536D-17
|
|
2 2 1 2 0.18359962792985D-01 0.23561580757686D-17
|
|
3 2 1 2 0.15838055813550D+00 -0.24456785941428D-16
|
|
1 1 2 2 0.37724096964790D+00 0.59642120960748D-16
|
|
2 1 2 2 0.18873100208939D+00 0.39548266902970D-16
|
|
3 1 2 2 -0.34391968482831D+00 0.23010539640737D-16
|
|
1 2 2 2 0.18359962792985D-01 -0.14499222407606D-16
|
|
2 2 2 2 -0.51809462615129D+00 0.00000000000000D+00
|
|
3 2 2 2 -0.17409595319268D+00 -0.83130847850026D-17
|
|
1 1 3 2 0.17352854577262D-02 -0.30794239321380D-16
|
|
2 1 3 2 0.26178269476943D+00 0.12706287460545D-16
|
|
3 1 3 2 0.18873102725370D+00 -0.29237935478537D-16
|
|
1 2 3 2 0.15838055813550D+00 0.20119977251486D-16
|
|
2 2 3 2 -0.17409595319268D+00 0.30864489972701D-16
|
|
3 2 3 2 -0.33366568752782D+00 0.00000000000000D+00
|
|
Band: 6
|
|
1 1 1 1 -0.29124606838527D+00 0.21684043449710D-17
|
|
2 1 1 1 0.16968632860017D+00 0.24462085558123D-16
|
|
3 1 1 1 -0.49669139836007D-01 -0.42051663918160D-16
|
|
1 2 1 1 -0.33456173570026D-01 -0.90390109837831D-16
|
|
2 2 1 1 0.29510826453719D-01 0.69043343760226D-16
|
|
3 2 1 1 -0.88298627902892D-01 0.16848912632759D-16
|
|
1 1 2 1 0.16968632860017D+00 -0.22727362082146D-16
|
|
2 1 2 1 -0.67572995675105D+00 -0.17347234759768D-17
|
|
3 1 2 1 -0.35962568110864D-01 -0.86616813440677D-18
|
|
1 2 2 1 -0.11600935281757D+00 0.10573284701420D-15
|
|
2 2 2 1 0.13733713549850D+00 -0.50610144652710D-16
|
|
3 2 2 1 0.49437188669571D+00 0.24816187471084D-16
|
|
1 1 3 1 -0.49669139836007D-01 0.46388472608102D-16
|
|
2 1 3 1 -0.35962568110864D-01 -0.86855534157003D-18
|
|
3 1 3 1 -0.78495489115969D+00 -0.69388939039072D-17
|
|
1 2 3 1 0.40375256001496D+00 -0.10064224562874D-16
|
|
2 2 3 1 0.34286574806421D+00 0.18309471827406D-16
|
|
3 2 3 1 0.13733715226483D+00 0.57424618940212D-16
|
|
1 1 1 2 -0.33456173570026D-01 0.86053301147889D-16
|
|
2 1 1 2 -0.11600935281757D+00 -0.10963597483515D-15
|
|
3 1 1 2 0.40375256001496D+00 0.20364145201486D-16
|
|
1 2 1 2 -0.14355518750190D+01 -0.43368086899420D-18
|
|
2 2 1 2 -0.12193823961285D+00 0.61641762771804D-17
|
|
3 2 1 2 0.36576454827292D-01 -0.10148517624547D-16
|
|
1 1 2 2 0.29510826453719D-01 -0.71645428974191D-16
|
|
2 1 2 2 0.13733713549850D+00 0.59283762032594D-16
|
|
3 1 2 2 0.34286574806421D+00 -0.26969605436145D-17
|
|
1 2 2 2 -0.12193823961285D+00 -0.31284101942210D-17
|
|
2 2 2 2 -0.57644975902662D+00 -0.52041704279304D-17
|
|
3 2 2 2 -0.20610723918449D+00 -0.83012934509538D-16
|
|
1 1 3 2 -0.88298627902892D-01 -0.15547870025776D-16
|
|
2 1 3 2 0.49437188669571D+00 -0.36959251802922D-16
|
|
3 1 3 2 0.13733715226483D+00 -0.71302406748027D-16
|
|
1 2 3 2 0.36576454827292D-01 0.11883241100524D-16
|
|
2 2 3 2 -0.20610723918449D+00 0.69135146701723D-16
|
|
3 2 3 2 -0.76495009486303D+00 -0.10408340855861D-16
|
|
Band: 7
|
|
1 1 1 1 -0.42901219377782D+00 -0.20816681711722D-16
|
|
2 1 1 1 -0.12808401265398D+00 -0.83674215640684D-17
|
|
3 1 1 1 0.12652206659243D+00 0.85485902651458D-16
|
|
1 2 1 1 -0.92937103336581D-01 -0.74986642246816D-16
|
|
2 2 1 1 -0.17782038482021D+00 0.25262225940570D-16
|
|
3 2 1 1 0.97449409566926D-01 0.49139519917052D-16
|
|
1 1 2 1 -0.12808401265398D+00 0.14285276601612D-17
|
|
2 1 2 1 -0.46321338528560D+00 -0.69388939039072D-17
|
|
3 1 2 1 0.18160660123456D-01 0.89040165117827D-16
|
|
1 2 2 1 0.23462683850842D+00 0.28646547028227D-16
|
|
2 2 2 1 0.38150563001677D+00 0.88625484906038D-16
|
|
3 2 2 1 0.13448150441984D+00 -0.11159833267766D-16
|
|
1 1 3 1 0.12652206659243D+00 -0.82016455699504D-16
|
|
2 1 3 1 0.18160660123456D-01 -0.90774888593804D-16
|
|
3 1 3 1 -0.25122772502884D+00 0.00000000000000D+00
|
|
1 2 3 1 -0.28649607979764D+00 0.13156471660838D-17
|
|
2 2 3 1 -0.31620660831258D+00 0.36126006217365D-15
|
|
3 2 3 1 0.38150541170157D+00 0.47702185920401D-16
|
|
1 1 1 2 -0.92937103336581D-01 0.74119280508828D-16
|
|
2 1 1 2 0.23462683850842D+00 -0.82635461854995D-17
|
|
3 1 1 2 -0.28649607979764D+00 -0.13458711497921D-16
|
|
1 2 1 2 -0.80367643877572D+00 0.00000000000000D+00
|
|
2 2 1 2 0.99469328335068D-01 -0.41661545660184D-17
|
|
3 2 1 2 -0.11792366935600D+00 0.10292826599206D-15
|
|
1 1 2 2 -0.17782038482021D+00 -0.23093821595599D-16
|
|
2 1 2 2 0.38150563001677D+00 -0.88625484906038D-16
|
|
3 1 2 2 -0.31620660831258D+00 -0.11145988163299D-15
|
|
1 2 2 2 0.99469328335068D-01 -0.15783165407715D-16
|
|
2 2 2 2 -0.31288469588239D+00 0.13877787807814D-16
|
|
3 2 2 2 -0.69060051084091D+00 -0.50178767067912D-16
|
|
1 1 3 2 0.97449409566926D-01 -0.59547860772913D-16
|
|
2 1 3 2 0.13448150441984D+00 0.75149241190556D-18
|
|
3 1 3 2 0.38150541170157D+00 -0.77192485012006D-16
|
|
1 2 3 2 -0.11792366935600D+00 -0.10422930859905D-15
|
|
2 2 3 2 -0.69060051084091D+00 0.20688467976307D-16
|
|
3 2 3 2 -0.33672042967599D+00 0.17347234759768D-16
|
|
Band: 8
|
|
1 1 1 1 -0.59340359564198D+00 -0.52041704279304D-17
|
|
2 1 1 1 0.42223153007347D-02 0.18266028888782D-16
|
|
3 1 1 1 -0.25434848445264D-01 0.42088106954341D-16
|
|
1 2 1 1 0.11920267273153D+00 0.35058156432339D-16
|
|
2 2 1 1 -0.18559367366115D-01 -0.38620362248255D-16
|
|
3 2 1 1 -0.39361824446860D-01 -0.14475370467873D-15
|
|
1 1 2 1 0.42223153007347D-02 -0.26535176049912D-17
|
|
2 1 2 1 -0.46341307788394D+00 0.20816681711722D-16
|
|
3 1 2 1 0.85705581221402D-01 0.76563092486731D-16
|
|
1 2 2 1 -0.79378250888106D-01 -0.23709488112080D-16
|
|
2 2 2 1 -0.48932537264528D+00 0.12464306713109D-16
|
|
3 2 2 1 -0.54218999920118D+00 -0.36754965008038D-16
|
|
1 1 3 1 -0.25434848445264D-01 -0.39486021740376D-16
|
|
2 1 3 1 0.85705581221402D-01 -0.73093645534777D-16
|
|
3 1 3 1 -0.19784473003618D+00 -0.69388939039072D-17
|
|
1 2 3 1 -0.11996949455062D-01 -0.10344743427239D-16
|
|
2 2 3 1 0.11748152714725D+00 -0.91601552891929D-16
|
|
3 2 3 1 -0.48932525050875D+00 -0.87769425425489D-16
|
|
1 1 1 2 0.11920267273153D+00 -0.33323432956362D-16
|
|
2 1 1 2 -0.79378250888106D-01 0.19155838987641D-16
|
|
3 1 1 2 -0.11996949455062D-01 0.12946828641204D-16
|
|
1 2 1 2 -0.52145884977613D+00 -0.17347234759768D-17
|
|
2 2 1 2 -0.11996145738309D-01 0.19126766811034D-16
|
|
3 2 1 2 0.10610705891673D-01 0.10348142146344D-15
|
|
1 1 2 2 -0.18559367366115D-01 0.33090931168579D-16
|
|
2 1 2 2 -0.48932537264528D+00 -0.22655807134473D-16
|
|
3 1 2 2 0.11748152714725D+00 0.88132105939976D-16
|
|
1 2 2 2 -0.11996145738309D-01 -0.52489790032199D-17
|
|
2 2 2 2 -0.48530578365608D+00 -0.34694469519536D-17
|
|
3 2 2 2 0.77677693815068D+00 0.20966484574020D-16
|
|
1 1 3 2 -0.39361824446860D-01 0.14930735380317D-15
|
|
2 1 3 2 -0.54218999920118D+00 0.12468836344363D-16
|
|
3 1 3 2 -0.48932525050875D+00 0.11460342919451D-15
|
|
1 2 3 2 0.10610705891673D-01 -0.98710931904499D-16
|
|
2 2 3 2 0.77677693815068D+00 0.31028036551586D-17
|
|
3 2 3 2 0.12543415755229D+00 0.20816681711722D-16
|
|
|
|
2nd eigenvalue derivatives - # elements : 36
|
|
qpt 5.00000000E-01 0.00000000E+00 5.00000000E-01 1.0
|
|
K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.36540648638229D+01 -0.13230654636112D-17
|
|
2 1 1 1 -0.12248517591858D-06 0.12181945870719D-15
|
|
3 1 1 1 0.12080866849406D-08 0.21418504069326D-15
|
|
1 2 1 1 -0.76763553924844D-09 0.71512940567158D-16
|
|
2 2 1 1 -0.10299865760780D-06 0.15607036675413D-16
|
|
3 2 1 1 0.84811170928765D+00 0.17988042147766D-16
|
|
1 1 2 1 -0.12248517591504D-06 -0.11314584132730D-15
|
|
2 1 2 1 -0.22752187058614D+01 0.43469730853091D-17
|
|
3 1 2 1 -0.13789921992061D-06 -0.56966087458466D-16
|
|
1 2 2 1 0.10301780605723D-06 -0.13675063934608D-16
|
|
2 2 2 1 -0.74062574196658D-11 0.10992655713751D-16
|
|
3 2 2 1 0.84511331902520D-07 0.17842069647905D-16
|
|
1 1 3 1 0.12080866804954D-08 -0.21498040463073D-15
|
|
2 1 3 1 -0.13789921992790D-06 0.60387677048900D-16
|
|
3 1 3 1 -0.36540648625444D+01 -0.34029548655942D-17
|
|
1 2 3 1 0.84811170990582D+00 -0.51022368141938D-16
|
|
2 2 3 1 -0.84486669424307D-07 0.43316684689416D-16
|
|
3 2 3 1 -0.74474432247432D-09 -0.76618237685369D-16
|
|
1 1 1 2 -0.76763553046418D-09 -0.80710818401833D-16
|
|
2 1 1 2 0.10301780605813D-06 0.93203616736552D-17
|
|
3 1 1 2 0.84811170990582D+00 0.53793065851966D-16
|
|
1 2 1 2 -0.46185778481805D+00 -0.12112571145736D-18
|
|
2 2 1 2 0.12245969509343D-06 -0.51619474397548D-16
|
|
3 2 1 2 0.37566726979117D-09 0.67331642283560D-16
|
|
1 1 2 2 -0.10299865760169D-06 -0.16725755440499D-16
|
|
2 1 2 2 -0.74062428490050D-11 -0.14197828386161D-16
|
|
3 1 2 2 -0.84486669414608D-07 -0.41581961213440D-16
|
|
1 2 2 2 0.12245969509557D-06 0.49017389183582D-16
|
|
2 2 2 2 -0.13249524191126D+01 -0.27105054312138D-18
|
|
3 2 2 2 0.13787468921824D-06 0.16761515692172D-16
|
|
1 1 3 2 0.84811170928765D+00 -0.17436332531528D-16
|
|
2 1 3 2 0.84511331892358D-07 -0.83010905300325D-17
|
|
3 1 3 2 -0.74474430758814D-09 0.77782140364235D-16
|
|
1 2 3 2 0.37566727086394D-09 -0.68839360929673D-16
|
|
2 2 3 2 0.13787468921574D-06 -0.22475176437876D-16
|
|
3 2 3 2 -0.46185778413084D+00 0.46798570335800D-18
|
|
Band: 2
|
|
1 1 1 1 -0.46185778483344D+00 -0.16178329292557D-18
|
|
2 1 1 1 0.12246657950633D-06 -0.11387313533677D-15
|
|
3 1 1 1 0.37566852548953D-09 0.26688798841967D-17
|
|
1 2 1 1 -0.76764489891299D-09 0.49319010251775D-16
|
|
2 2 1 1 0.10301495062244D-06 0.34369198847350D-16
|
|
3 2 1 1 0.84811170991604D+00 -0.64808208852165D-16
|
|
1 1 2 1 0.12246657950218D-06 0.11127105012281D-15
|
|
2 1 2 1 -0.13249524192659D+01 -0.61325185381211D-18
|
|
3 1 2 1 0.13788343502557D-06 0.55090075635356D-16
|
|
1 2 2 1 -0.10300150026772D-06 -0.59116312192750D-16
|
|
2 2 2 1 -0.73989129314670D-11 -0.17180600298115D-17
|
|
3 2 2 1 -0.84488949329170D-07 -0.80124153227777D-16
|
|
1 1 3 1 0.37566852079676D-09 -0.24325576919127D-17
|
|
2 1 3 1 0.13788343502983D-06 -0.56003177152496D-16
|
|
3 1 3 1 -0.46185778414631D+00 -0.32399010232477D-18
|
|
1 2 3 1 0.84811170929802D+00 0.10279746078537D-15
|
|
2 2 3 1 0.84509094103519D-07 -0.61124782889235D-16
|
|
3 2 3 1 -0.74475223600452D-09 -0.24359992894502D-17
|
|
1 1 1 2 -0.76764489582545D-09 -0.53610820316394D-16
|
|
2 1 1 2 -0.10300150026606D-06 0.47014328958854D-16
|
|
3 1 1 2 0.84811170929802D+00 -0.10045623524938D-15
|
|
1 2 1 2 -0.36540648638050D+01 -0.45240029712852D-17
|
|
2 2 1 2 -0.12247835955327D-06 0.10506598712686D-16
|
|
3 2 1 2 0.12080948543817D-08 0.22938909687056D-15
|
|
1 1 2 2 0.10301495061575D-06 -0.45059178158173D-16
|
|
2 1 2 2 -0.73989269862847D-11 -0.84641230291324D-17
|
|
3 1 2 2 0.84509094100328D-07 0.70665762007108D-16
|
|
1 2 2 2 -0.12247835957506D-06 -0.87718752367096D-17
|
|
2 2 2 2 -0.22752187058242D+01 -0.38590821076906D-17
|
|
3 2 2 2 -0.13789043600701D-06 0.12977486647613D-15
|
|
1 1 3 2 0.84811170991604D+00 0.59769421607186D-16
|
|
2 1 3 2 -0.84488949331532D-07 0.71884216716887D-16
|
|
3 1 3 2 -0.74475225024706D-09 0.65024721203201D-17
|
|
1 2 3 2 0.12080948516341D-08 -0.22562022377175D-15
|
|
2 2 3 2 -0.13789043600571D-06 -0.13775476387221D-15
|
|
3 2 3 2 -0.36540648625267D+01 -0.55692416281970D-17
|
|
Band: 3
|
|
1 1 1 1 -0.68947537186969D+00 -0.67491585237223D-17
|
|
2 1 1 1 0.22793028701219D-06 -0.95974902843283D-16
|
|
3 1 1 1 0.46406221234742D-09 0.47579620821504D-16
|
|
1 2 1 1 -0.27457602076695D-09 0.26311187545047D-16
|
|
2 2 1 1 0.19160182404129D-06 0.84083684431596D-16
|
|
3 2 1 1 0.80602420087321D+00 0.44365028623739D-17
|
|
1 1 2 1 0.22793028701471D-06 0.10117907327121D-15
|
|
2 1 2 1 0.13674847547571D+01 0.32475243197730D-17
|
|
3 1 2 1 0.25690115819625D-06 0.97961226239711D-16
|
|
1 2 2 1 -0.19159912153969D-06 0.67467109009359D-16
|
|
2 2 2 1 0.16708731982053D-11 0.46773711909699D-16
|
|
3 2 2 1 -0.15682427366844D-06 0.32317303199283D-16
|
|
1 1 3 1 0.46406221474452D-09 -0.43862840248952D-16
|
|
2 1 3 1 0.25690115824347D-06 -0.91794826383700D-16
|
|
3 1 3 1 -0.68947537217728D+00 -0.13952326707173D-16
|
|
1 2 3 1 0.80602420130483D+00 -0.50990558028378D-16
|
|
2 2 3 1 0.15683089776062D-06 -0.40195121515357D-16
|
|
3 2 3 1 -0.26763054745248D-09 -0.58283458669978D-16
|
|
1 1 1 2 -0.27457600533232D-09 -0.34319037028389D-16
|
|
2 1 1 2 -0.19159912153639D-06 -0.75000408284002D-16
|
|
3 1 1 2 0.80602420130483D+00 0.57978579843226D-16
|
|
1 2 1 2 -0.16876727064906D-01 0.80230960763927D-17
|
|
2 2 1 2 -0.22794228440525D-06 -0.41712681033178D-17
|
|
3 2 1 2 0.50561769786730D-10 0.28025025622533D-16
|
|
1 1 2 2 0.19160182402567D-06 -0.78048574682409D-16
|
|
2 1 2 2 0.16708078432607D-11 -0.25982441186395D-16
|
|
3 1 2 2 0.15683089771424D-06 0.44531930205299D-16
|
|
1 2 2 2 -0.22794228438334D-06 -0.27676258005894D-17
|
|
2 2 2 2 0.14525721487053D+01 0.14706186030229D-16
|
|
3 2 2 2 -0.25690967861416D-06 -0.14247932078284D-15
|
|
1 1 3 2 0.80602420087321D+00 -0.41366531990458D-17
|
|
2 1 3 2 -0.15682427369290D-06 -0.51399261435028D-16
|
|
3 1 3 2 -0.26763057539271D-09 0.38701750995353D-16
|
|
1 2 3 2 0.50561778724622D-10 -0.17321917301028D-16
|
|
2 2 3 2 -0.25690967862297D-06 0.17076513902345D-15
|
|
3 2 3 2 -0.16876727733281D-01 0.98255821881499D-18
|
|
Band: 4
|
|
1 1 1 1 -0.16876727075378D-01 -0.80197079446037D-17
|
|
2 1 1 1 -0.22793794596277D-06 0.10734995128322D-15
|
|
3 1 1 1 0.50552143666223D-10 0.32388935492021D-16
|
|
1 2 1 1 -0.27458080200859D-09 0.13555981699917D-16
|
|
2 2 1 1 -0.19159040355642D-06 -0.17083564514713D-15
|
|
3 2 1 1 0.80602420131865D+00 0.33106602640933D-16
|
|
1 1 2 1 -0.22793794598364D-06 -0.84798546095519D-16
|
|
2 1 2 1 0.14525721486497D+01 -0.20132279090340D-16
|
|
3 1 2 1 -0.25690353478990D-06 0.12576444152388D-15
|
|
1 2 2 1 0.19161033196807D-06 0.41873003433361D-16
|
|
2 2 2 1 0.16025399465048D-11 0.12383420563742D-15
|
|
3 2 2 1 0.15683773259971D-06 0.91611408831035D-16
|
|
1 1 3 1 0.50552136419009D-10 -0.22143224962033D-16
|
|
2 1 3 1 -0.25690353478273D-06 -0.86328281565615D-16
|
|
3 1 3 1 -0.16876727748660D-01 0.32051726724103D-17
|
|
1 2 3 1 0.80602420088949D+00 -0.97728153215777D-17
|
|
2 2 3 1 -0.15681766531625D-06 0.50002511587755D-16
|
|
3 2 3 1 -0.26763499793662D-09 0.19605773634452D-16
|
|
1 1 1 2 -0.27458077639262D-09 -0.16610980216245D-17
|
|
2 1 1 2 0.19161033193170D-06 -0.19885510430298D-16
|
|
3 1 1 2 0.80602420088949D+00 0.49684444447513D-17
|
|
1 2 1 2 -0.68947537185047D+00 -0.98052533974158D-17
|
|
2 2 1 2 0.22793492762746D-06 0.37617091646172D-16
|
|
3 2 1 2 0.46406785299646D-09 0.62120577148133D-16
|
|
1 1 2 2 -0.19159040356587D-06 0.15445254563957D-15
|
|
2 1 2 2 0.16025602507315D-11 -0.12269621687278D-15
|
|
3 1 2 2 -0.15681766531657D-06 -0.65615022871547D-16
|
|
1 2 2 2 0.22793492763585D-06 -0.22004580362381D-16
|
|
2 2 2 2 0.13674847547656D+01 -0.24343726904089D-17
|
|
3 2 2 2 0.25690704613680D-06 0.15050374076038D-15
|
|
1 1 3 2 0.80602420131865D+00 -0.23789240221136D-16
|
|
2 1 3 2 0.15683773264566D-06 -0.89009323617070D-16
|
|
3 1 3 2 -0.26763499340668D-09 -0.27816911025135D-16
|
|
1 2 3 2 0.46406783725859D-09 -0.61043151239226D-16
|
|
2 2 3 2 0.25690704608129D-06 -0.16298053607344D-15
|
|
3 2 3 2 -0.68947537217383D+00 0.13389896830196D-16
|
|
Band: 5
|
|
1 1 1 1 0.34204211014761D-01 -0.24309845586198D-17
|
|
2 1 1 1 0.24415490067380D-07 -0.30076881880931D-16
|
|
3 1 1 1 0.73352190462510D-03 -0.17133610965645D-15
|
|
1 2 1 1 -0.15624905228005D-03 0.89119135323730D-17
|
|
2 2 1 1 0.21353275711783D-07 0.22942717758390D-16
|
|
3 2 1 1 -0.60617649762837D+00 -0.39670351796228D-16
|
|
1 1 2 1 0.24415490105527D-07 0.40485222736792D-16
|
|
2 1 2 1 -0.22071628286349D+00 -0.22012268716771D-18
|
|
3 1 2 1 0.27474136388687D-07 -0.74760381358352D-16
|
|
1 2 2 1 -0.21349997103526D-07 -0.14320078023848D-16
|
|
2 2 2 1 -0.75513395580837D-04 -0.10466707224236D-16
|
|
3 2 2 1 -0.17221226132431D-07 -0.44353044159941D-16
|
|
1 1 3 1 0.73352190462497D-03 0.16892248927324D-15
|
|
2 1 3 1 0.27474136397472D-07 0.75290623983333D-16
|
|
3 1 3 1 0.22172116349028D+01 -0.31105167405546D-17
|
|
1 2 3 1 -0.40908552652629D+00 0.17158739920578D-16
|
|
2 2 3 1 0.17206967340581D-07 -0.16390363477242D-16
|
|
3 2 3 1 -0.15624876453501D-03 -0.53150907943379D-16
|
|
1 1 1 2 -0.15624905227998D-03 -0.20748351937305D-16
|
|
2 1 1 2 -0.21349997115399D-07 0.18233370240163D-16
|
|
3 1 1 2 -0.40908552652629D+00 0.42122189760028D-17
|
|
1 2 1 2 -0.63226132732807D-01 -0.43113977015244D-17
|
|
2 2 1 2 -0.24413222811875D-07 0.28068408944292D-16
|
|
3 2 1 2 -0.21393323464630D-03 -0.19561646262008D-16
|
|
1 1 2 2 0.21353275745430D-07 -0.23843960814268D-16
|
|
2 1 2 2 -0.75513395580825D-04 -0.11154624778418D-17
|
|
3 1 2 2 0.17206967353743D-07 -0.26915947585029D-17
|
|
1 2 2 2 -0.24413222815524D-07 -0.10721174184524D-16
|
|
2 2 2 2 0.63194620916226D-01 0.14092510659943D-17
|
|
3 2 2 2 -0.27468366225937D-07 -0.12951701889691D-16
|
|
1 1 3 2 -0.60617649762837D+00 0.28651406064515D-16
|
|
2 1 3 2 -0.17221226118499D-07 0.59965555443733D-16
|
|
3 1 3 2 -0.15624876453501D-03 0.61407467475859D-16
|
|
1 2 3 2 -0.21393323464629D-03 0.20667871291122D-16
|
|
2 2 3 2 -0.27468366237774D-07 0.18799617357535D-16
|
|
3 2 3 2 0.53314696637633D+00 0.24146791743852D-17
|
|
Band: 6
|
|
1 1 1 1 -0.63225309809269D-01 -0.29188755362383D-17
|
|
2 1 1 1 -0.24268159033718D-07 0.21717683243114D-16
|
|
3 1 1 1 0.61465171596284D-03 0.23563684277416D-17
|
|
1 2 1 1 -0.82077899263289D-04 0.23572029616700D-16
|
|
2 2 1 1 -0.21188615822145D-07 -0.31382410040480D-17
|
|
3 2 1 1 -0.40908550157227D+00 -0.43050368583312D-17
|
|
1 1 2 1 -0.24268159036103D-07 -0.28656577147021D-16
|
|
2 1 2 1 0.63194530998897D-01 -0.31722442665858D-17
|
|
3 1 2 1 -0.27342473162186D-07 -0.93461035800299D-17
|
|
1 2 2 1 0.21173401708320D-07 -0.17088378640127D-16
|
|
2 2 2 1 -0.39667351395856D-04 0.11551682073993D-16
|
|
3 2 2 1 0.17011508494362D-07 0.74167050574530D-17
|
|
1 1 3 1 0.61465171596286D-03 -0.55077545080012D-17
|
|
2 1 3 1 -0.27342473160083D-07 0.18250113921567D-16
|
|
3 1 3 1 0.53314670762018D+00 0.68724018175478D-17
|
|
1 2 3 1 -0.60617652258506D+00 0.58591496425847D-16
|
|
2 2 3 1 -0.17032139210227D-07 0.22682052927172D-16
|
|
3 2 3 1 -0.82077611493255D-04 -0.79357313511495D-16
|
|
1 1 1 2 -0.82077899263343D-04 -0.17399700530058D-16
|
|
2 1 1 2 0.21173401704231D-07 0.16295555801497D-16
|
|
3 1 1 2 -0.60617652258506D+00 -0.62474189576942D-16
|
|
1 2 1 2 0.34204268764347D-01 0.62511031507367D-17
|
|
2 2 1 2 0.24272798823010D-07 -0.18608049340114D-16
|
|
3 2 1 2 -0.34171093379776D-03 0.10415422669907D-15
|
|
1 1 2 2 -0.21188615808093D-07 0.11063081258559D-16
|
|
2 1 2 2 -0.39667351395824D-04 -0.44511636958380D-17
|
|
3 1 2 2 -0.17032139208611D-07 -0.12273712071311D-16
|
|
1 2 2 2 0.24272798811673D-07 0.32485837147929D-16
|
|
2 2 2 2 -0.22071619295866D+00 0.77577630056653D-18
|
|
3 2 2 2 0.27364612755005D-07 0.10378689349023D-15
|
|
1 1 3 2 -0.40908550157227D+00 0.13094274235515D-16
|
|
2 1 3 2 0.17011508515121D-07 -0.14355598961360D-16
|
|
3 1 3 2 -0.82077611493194D-04 0.83676228630426D-16
|
|
1 2 3 2 -0.34171093379782D-03 -0.10015496063860D-15
|
|
2 2 3 2 0.27364612727838D-07 -0.10206911067320D-15
|
|
3 2 3 2 0.22172110129745D+01 0.18084153423879D-18
|
|
Band: 7
|
|
1 1 1 1 0.22217308043446D+01 0.22488724749602D-17
|
|
2 1 1 1 0.23937290773582D-07 0.94233958938298D-17
|
|
3 1 1 1 -0.10108500510650D-02 -0.81970255361892D-16
|
|
1 2 1 1 0.16215430701207D-03 0.11497847441167D-16
|
|
2 2 1 1 0.20489583191192D-07 -0.14066058317076D-16
|
|
3 2 1 1 -0.40855655233995D+00 0.54300906532540D-16
|
|
1 1 2 1 0.23937290808959D-07 -0.94233958938298D-17
|
|
2 1 2 1 -0.22147819311223D+00 -0.43625373157149D-17
|
|
3 1 2 1 0.27004842379132D-07 0.89334317470999D-17
|
|
1 2 2 1 -0.20501186864495D-07 0.18300424606810D-16
|
|
2 2 2 1 0.78367049634395D-04 0.90748625787153D-17
|
|
3 2 2 1 -0.17286371506064D-07 -0.20216537202764D-16
|
|
1 1 3 1 -0.10108500510649D-02 0.90924240647318D-16
|
|
2 1 3 1 0.27004842392274D-07 -0.77989259683004D-18
|
|
3 1 3 1 0.34465912951213D-01 0.28138434507788D-17
|
|
1 2 3 1 -0.60670547178654D+00 0.17480269278973D-16
|
|
2 2 3 1 0.17283935870227D-07 -0.61308258434525D-16
|
|
3 2 3 1 0.16215400056886D-03 0.27829480601962D-16
|
|
1 1 1 2 0.16215430701204D-03 -0.12003420231559D-16
|
|
2 1 1 2 -0.20501186850965D-07 -0.21292144976512D-16
|
|
3 1 1 2 -0.60670547178654D+00 -0.26351668852041D-16
|
|
1 2 1 2 0.52862688583048D+00 0.24805359860342D-17
|
|
2 2 1 2 -0.23928885941479D-07 0.47520367026798D-16
|
|
3 2 1 2 0.47162491463501D-03 -0.63403400662947D-16
|
|
1 1 2 2 0.20489583162605D-07 0.17030673632466D-16
|
|
2 1 2 2 0.78367049634425D-04 -0.15589816492522D-16
|
|
3 1 2 2 0.17283935886190D-07 0.56104088006594D-16
|
|
1 2 2 2 -0.23928885947839D-07 -0.40581473122891D-16
|
|
2 2 2 2 0.63956533023742D-01 -0.53521894354631D-18
|
|
3 2 2 2 -0.27003960583848D-07 0.19621470542795D-16
|
|
1 1 3 2 -0.40855655233995D+00 -0.50046260038481D-16
|
|
2 1 3 2 -0.17286371525443D-07 0.13277643298857D-16
|
|
3 1 3 2 0.16215400056889D-03 -0.33503754315618D-16
|
|
1 2 3 2 0.47162491463497D-03 0.58888291537608D-16
|
|
2 2 3 2 -0.27003960599613D-07 -0.59842400920012D-17
|
|
3 2 3 2 -0.63486921163284D-01 -0.14726514820963D-16
|
|
Band: 8
|
|
1 1 1 1 0.52862697620142D+00 0.45443317620193D-17
|
|
2 1 1 1 -0.24063241237348D-07 -0.48243927840411D-16
|
|
3 1 1 1 -0.33732475955800D-03 -0.24429002906205D-16
|
|
1 2 1 1 0.76173840612879D-04 -0.23355779069446D-16
|
|
2 2 1 1 -0.20674652680982D-07 0.85079038038073D-17
|
|
3 2 1 1 -0.60670549674195D+00 -0.23319339647877D-16
|
|
1 1 2 1 -0.24063241240401D-07 0.41305033936504D-16
|
|
2 1 2 1 0.63956622936256D-01 0.52237580648357D-17
|
|
3 1 2 1 -0.27120307698601D-07 -0.66694407322726D-17
|
|
1 2 2 1 0.20657204166728D-07 0.24627404107005D-16
|
|
2 2 2 1 0.36813703501243D-04 -0.17326428164060D-18
|
|
3 2 2 1 0.17471117388314D-07 -0.40118730230840D-18
|
|
1 1 3 1 -0.33732475955801D-03 0.30204497057058D-16
|
|
2 1 3 1 -0.27120307695259D-07 -0.19414962095146D-17
|
|
3 1 3 1 -0.63487575709098D-01 -0.93004217608522D-18
|
|
1 2 3 1 -0.40855652738624D+00 -0.41761194823907D-16
|
|
2 2 3 1 -0.17483094194910D-07 0.17734128181673D-17
|
|
3 2 3 1 0.76173534320585D-04 0.10022449990055D-16
|
|
1 1 1 2 0.76173840612896D-04 0.35260509505750D-16
|
|
2 1 1 2 0.20657204165557D-07 -0.17068482085708D-16
|
|
3 1 1 2 -0.40855652738624D+00 0.43915093729656D-16
|
|
1 2 1 2 0.22217316598882D+01 -0.39259977105237D-17
|
|
2 2 1 2 0.24090100042291D-07 -0.54025381813492D-16
|
|
3 2 1 2 0.84018063728628D-04 -0.44307192031772D-16
|
|
1 1 2 2 -0.20674652678349D-07 -0.16058355495632D-16
|
|
2 1 2 2 0.36813703501278D-04 -0.65852207256312D-18
|
|
3 1 2 2 -0.17483094209269D-07 -0.13916477150005D-16
|
|
1 2 2 2 0.24090100033565D-07 0.60964275717400D-16
|
|
2 2 2 2 -0.22147828303791D+00 0.34771761275973D-17
|
|
3 2 2 2 0.27123982163692D-07 0.28767807423080D-16
|
|
1 1 3 2 -0.60670549674195D+00 0.55800345126483D-17
|
|
2 1 3 2 0.17471117412257D-07 0.21359107782852D-17
|
|
3 1 3 2 0.76173534320591D-04 -0.10992302714661D-16
|
|
1 2 3 2 0.84018063728742D-04 0.47369639652569D-16
|
|
2 2 3 2 0.27123982185728D-07 -0.18607647220765D-16
|
|
3 2 3 2 0.34465621570630D-01 -0.22192263218063D-18
|
|
K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.20918281796815D+01 0.51047952238850D-18
|
|
2 1 1 1 -0.51540541251624D-08 0.22208771927451D-16
|
|
3 1 1 1 -0.42386034145038D-07 -0.86130503127847D-16
|
|
1 2 1 1 -0.29699821224236D-09 0.89020517786781D-16
|
|
2 2 1 1 -0.25548313597887D-09 0.20827588290532D-16
|
|
3 2 1 1 0.35842711874520D+00 0.33061598589464D-16
|
|
1 1 2 1 -0.51540540919490D-08 -0.20449021326560D-16
|
|
2 1 2 1 -0.22458461837033D+01 0.12278809891935D-17
|
|
3 1 2 1 0.35895361481417D-09 -0.22699684578925D-16
|
|
1 2 2 1 0.26262571485223D-09 -0.29229485270619D-16
|
|
2 2 2 1 -0.41930866378246D-11 -0.34079681006240D-16
|
|
3 2 2 1 -0.71374430261488D-08 0.10620084389921D-16
|
|
1 1 3 1 -0.42386034136832D-07 0.87177014821982D-16
|
|
2 1 3 1 0.35895360046201D-09 0.29638578482832D-16
|
|
3 1 3 1 -0.22806878218207D+01 0.43998431613410D-17
|
|
1 2 3 1 -0.39810560960417D-02 -0.66596597814732D-16
|
|
2 2 3 1 0.71456679235590D-08 0.10715801281210D-16
|
|
3 2 3 1 -0.33856367268487D-09 -0.60716558156674D-16
|
|
1 1 1 2 -0.29699820823081D-09 -0.88065782591624D-16
|
|
2 1 1 2 0.26262571246764D-09 0.15785378331799D-16
|
|
3 1 1 2 -0.39810560960417D-02 0.69215597217863D-16
|
|
1 2 1 2 -0.25291843533927D+00 0.15288924018425D-18
|
|
2 2 1 2 0.51475052916017D-08 -0.12061388554691D-16
|
|
3 2 1 2 0.43080884283664D-07 0.89650634562633D-16
|
|
1 1 2 2 -0.25548313621467D-09 0.85645515917771D-18
|
|
2 1 2 2 -0.41930668383279D-11 0.21279688236682D-16
|
|
3 1 2 2 0.71456679404733D-08 -0.10971314890886D-16
|
|
1 2 2 2 0.51475052895255D-08 0.17184922934968D-16
|
|
2 2 2 2 -0.18270685449256D+00 0.28962052298346D-17
|
|
3 2 2 2 -0.36568388225513D-09 -0.89003183521576D-17
|
|
1 1 3 2 0.35842711874520D+00 -0.29334498854760D-16
|
|
2 1 3 2 -0.71374430458079D-08 -0.15352199592675D-16
|
|
3 1 3 2 -0.33856367897324D-09 0.73831738025864D-16
|
|
1 2 3 2 0.43080884282363D-07 -0.91336314753739D-16
|
|
2 2 3 2 -0.36568388029750D-09 0.54308714002040D-17
|
|
3 2 3 2 -0.28853357898438D+00 0.28053317622756D-17
|
|
Band: 2
|
|
1 1 1 1 -0.25291843535273D+00 -0.24155708750855D-17
|
|
2 1 1 1 0.51473863293775D-08 0.99204375452222D-17
|
|
3 1 1 1 0.43081286693181D-07 0.27194378409620D-16
|
|
1 2 1 1 -0.29798653589283D-09 -0.75011929525533D-16
|
|
2 2 1 1 0.26253610269294D-09 -0.63318334694171D-17
|
|
3 2 1 1 -0.39810560877723D-02 -0.13264343226550D-17
|
|
1 1 2 1 0.51473863295983D-08 -0.70711940729486D-17
|
|
2 1 2 1 -0.18270685449959D+00 -0.46505113796330D-18
|
|
3 1 2 1 -0.36568693631493D-09 -0.14755560311393D-16
|
|
1 2 2 1 -0.25548598382394D-09 -0.16528193701030D-16
|
|
2 2 2 1 -0.53687800918722D-11 0.91016810320321D-18
|
|
3 2 2 1 0.71471766646995D-08 -0.19577669116162D-17
|
|
1 1 3 1 0.43081286694374D-07 -0.25926008599152D-16
|
|
2 1 3 1 -0.36568693408695D-09 0.13020836835416D-16
|
|
3 1 3 1 -0.28853357899324D+00 0.25914989306364D-17
|
|
1 2 3 1 0.35842711874825D+00 0.38328070334316D-16
|
|
2 2 3 1 -0.71359363111389D-08 0.38978356441236D-16
|
|
3 2 3 1 -0.33314633373510D-09 0.38343451511104D-16
|
|
1 1 1 2 -0.29798652440029D-09 0.85074736490877D-16
|
|
2 1 1 2 -0.25548601020475D-09 -0.29874454037089D-17
|
|
3 1 1 2 0.35842711874825D+00 -0.32856963766094D-16
|
|
1 2 1 2 -0.20918281796516D+01 0.13707960080034D-17
|
|
2 2 1 2 -0.51542376338140D-08 0.36686783348948D-16
|
|
3 2 1 2 -0.42385630061523D-07 0.72022354789973D-16
|
|
1 1 2 2 0.26253610353443D-09 0.21076983015220D-16
|
|
2 1 2 2 -0.53687674743627D-11 -0.59351943561000D-18
|
|
3 1 2 2 -0.71359362984190D-08 -0.36863386981559D-16
|
|
1 2 2 2 -0.51542376804740D-08 -0.26846983864773D-16
|
|
2 2 2 2 -0.22458461836762D+01 -0.11802953823543D-17
|
|
3 2 2 2 0.35900383421375D-09 0.16333639078653D-16
|
|
1 1 3 2 -0.39810560877723D-02 -0.61805821152047D-17
|
|
2 1 3 2 0.71471766900872D-08 0.59336659469534D-17
|
|
3 1 3 2 -0.33314634002347D-09 -0.26824949116609D-16
|
|
1 2 3 2 -0.42385630074946D-07 -0.65392075028614D-16
|
|
2 2 3 2 0.35900382764582D-09 -0.21537809506583D-16
|
|
3 2 3 2 -0.22806878218308D+01 -0.52454324716313D-17
|
|
Band: 3
|
|
1 1 1 1 -0.55731082554974D+01 -0.45170077116400D-17
|
|
2 1 1 1 -0.45366112018739D-07 0.39045902723994D-16
|
|
3 1 1 1 -0.20580637544636D-06 -0.25114430732401D-15
|
|
1 2 1 1 -0.70924550546533D-09 0.12030140737777D-15
|
|
2 2 1 1 -0.22821985114194D-08 -0.19341224983661D-16
|
|
3 2 1 1 -0.41612562422323D+00 0.11469118202837D-17
|
|
1 1 2 1 -0.45366112043799D-07 -0.22702376984509D-16
|
|
2 1 2 1 -0.32865563619800D+01 -0.36371073631314D-17
|
|
3 1 2 1 0.37757238382074D-09 -0.66155714884773D-16
|
|
1 2 2 1 0.22897077516002D-08 -0.16268757258284D-15
|
|
2 2 2 1 -0.13396899393316D-10 -0.62530501058283D-16
|
|
3 2 2 1 -0.73084332731749D-08 -0.54143893311211D-16
|
|
1 1 3 1 -0.20580637535637D-06 0.30345176551833D-15
|
|
2 1 3 1 0.37757229661550D-09 0.80033502692588D-16
|
|
3 1 3 1 -0.15728653775813D+01 0.18827491009544D-16
|
|
1 2 3 1 0.72850018361719D+00 0.50816980606249D-16
|
|
2 2 3 1 0.73187070828674D-08 -0.12057433854649D-16
|
|
3 2 3 1 -0.34159164846325D-09 0.45208376926253D-16
|
|
1 1 1 2 -0.70924552107784D-09 -0.89533074451089D-16
|
|
2 1 1 2 0.22897077561017D-08 0.14534033782307D-15
|
|
3 1 1 2 0.72850018361719D+00 -0.66186891396907D-16
|
|
1 2 1 2 -0.13783924999097D+01 -0.26387233594009D-16
|
|
2 2 1 2 0.45364128806707D-07 -0.84904007034569D-17
|
|
3 2 1 2 0.20694879998575D-06 0.82658326992616D-16
|
|
1 1 2 2 -0.22821985875387D-08 0.26280118887569D-16
|
|
2 1 2 2 -0.13396861568393D-10 0.46313025443236D-16
|
|
3 1 2 2 0.73187071547195D-08 0.18698708174160D-16
|
|
1 2 2 2 0.45364128857576D-07 0.25184776269017D-17
|
|
2 2 2 2 -0.67060633817412D+00 -0.57927853275831D-17
|
|
3 2 2 2 -0.37732493119973D-09 0.18186659655827D-16
|
|
1 1 3 2 -0.41612562422323D+00 -0.65047151744416D-18
|
|
2 1 3 2 -0.73084332431378D-08 0.68625662759713D-16
|
|
3 1 3 2 -0.34159166581049D-09 -0.87320192877468D-17
|
|
1 2 3 2 0.20694879997708D-06 -0.66185809923638D-16
|
|
2 2 3 2 -0.37732493346313D-09 -0.43088718480127D-17
|
|
3 2 3 2 -0.65258353420697D+00 -0.17002977491665D-16
|
|
Band: 4
|
|
1 1 1 1 -0.13783924999717D+01 0.10279840002062D-16
|
|
2 1 1 1 0.45361667220649D-07 0.25368678403910D-16
|
|
3 1 1 1 0.20695677427972D-06 0.26964629860982D-16
|
|
1 2 1 1 -0.67280923538230D-09 0.24973939918314D-15
|
|
2 2 1 1 0.22916148888763D-08 0.69966617925041D-16
|
|
3 2 1 1 0.72850018361789D+00 -0.19292803057725D-15
|
|
1 1 2 1 0.45361667222864D-07 -0.34365637376518D-16
|
|
2 1 2 1 -0.67060633818234D+00 -0.17380701453376D-17
|
|
3 1 2 1 -0.37727479687357D-09 0.59720840987266D-17
|
|
1 2 2 1 -0.22825590593413D-08 0.28585357766225D-16
|
|
2 2 2 1 0.30757291063868D-11 -0.57910488571257D-16
|
|
3 2 2 1 0.73188129851940D-08 -0.18162012891681D-16
|
|
1 1 3 1 0.20695677427886D-06 0.20794033491246D-17
|
|
2 1 3 1 -0.37727479818503D-09 -0.59720840987266D-17
|
|
3 1 3 1 -0.65258353420488D+00 0.38263526388034D-17
|
|
1 2 3 1 -0.41612562421258D+00 -0.21223760191016D-15
|
|
2 2 3 1 -0.73082871438848D-08 0.62816936231327D-16
|
|
3 2 3 1 -0.33967282113102D-09 -0.88661408509597D-16
|
|
1 1 1 2 -0.67280920068783D-09 -0.31263317506985D-15
|
|
2 1 1 2 -0.22825590664730D-08 0.40803581272848D-16
|
|
3 1 1 2 -0.41612562421258D+00 0.19818253916411D-15
|
|
1 2 1 2 -0.55731082556220D+01 0.19214791654797D-16
|
|
2 2 1 2 -0.45369344593149D-07 0.31974718065693D-15
|
|
3 2 1 2 -0.20579914824313D-06 -0.69484625841023D-16
|
|
1 1 2 2 0.22916148880789D-08 -0.38741595357458D-16
|
|
2 1 2 2 0.30757293233815D-11 0.42070720994695D-16
|
|
3 1 2 2 -0.73082871619170D-08 -0.53292298893636D-16
|
|
1 2 2 2 -0.45369344584718D-07 -0.29580315280150D-15
|
|
2 2 2 2 -0.32865563621259D+01 -0.13511988688609D-16
|
|
3 2 2 2 0.37683402308196D-09 0.17840054441518D-15
|
|
1 1 3 2 0.72850018361789D+00 0.21248868981401D-15
|
|
2 1 3 2 0.73188129951182D-08 -0.75625953572972D-18
|
|
3 1 3 2 -0.33967285756022D-09 0.58546294590573D-16
|
|
1 2 3 2 -0.20579914823218D-06 0.10097949836531D-15
|
|
2 2 3 2 0.37683397891720D-09 -0.19921722612690D-15
|
|
3 2 3 2 -0.15728653776208D+01 0.18567177270774D-17
|
|
Band: 5
|
|
1 1 1 1 -0.61153844370048D+00 -0.31746794863091D-17
|
|
2 1 1 1 0.89952721933256D-08 -0.15597314378035D-16
|
|
3 1 1 1 0.13840868608762D-06 -0.40002309272624D-16
|
|
1 2 1 1 -0.32022533312118D-09 -0.16593946493952D-16
|
|
2 2 1 1 -0.10232247064495D-03 0.52371461086939D-18
|
|
3 2 1 1 0.53883816287980D-01 -0.10852652673439D-15
|
|
1 1 2 1 0.89952721929978D-08 0.64399523150522D-17
|
|
2 1 2 1 -0.70181315179956D+00 -0.18321322649111D-17
|
|
3 1 2 1 0.32066860757398D-02 0.15365018050164D-16
|
|
1 2 2 1 0.10159870298283D-02 0.68964293850671D-17
|
|
2 2 2 1 -0.46231170903332D-10 0.85806999017257D-17
|
|
3 2 2 1 0.32963612376961D-07 0.28863071890301D-16
|
|
1 1 3 1 0.13840868608198D-06 0.47870209373523D-16
|
|
2 1 3 1 0.32066860757399D-02 -0.15365018050164D-16
|
|
3 1 3 1 0.45934819024249D+01 -0.57666003049073D-17
|
|
1 2 3 1 0.99577122170215D+00 0.78335959718124D-16
|
|
2 2 3 1 -0.33183893486288D-07 0.23039131213734D-16
|
|
3 2 3 1 0.16473370285324D-09 -0.78648174889926D-16
|
|
1 1 1 2 -0.32022533268750D-09 -0.11474922347885D-15
|
|
2 1 1 2 0.10159870298283D-02 -0.40775037366047D-17
|
|
3 1 1 2 0.99577122170215D+00 -0.74805526393968D-16
|
|
1 2 1 2 -0.52033034735595D+00 -0.10608240631413D-16
|
|
2 2 1 2 -0.88381076698036D-08 0.75341513428975D-17
|
|
3 2 1 2 -0.13838229960923D-06 0.19696826951023D-16
|
|
1 1 2 2 -0.10232247064495D-03 -0.27195088054013D-16
|
|
2 1 2 2 -0.46231201619467D-10 0.16679818572216D-16
|
|
3 1 2 2 -0.33183893513175D-07 -0.80186661815717D-17
|
|
1 2 2 2 -0.88381076691577D-08 -0.15269862540613D-16
|
|
2 2 2 2 -0.14922643683594D+00 0.26017146370508D-17
|
|
3 2 2 2 -0.70308999192598D-03 0.18726426581519D-16
|
|
1 1 3 2 0.53883816287980D-01 0.12572468369545D-15
|
|
2 1 3 2 0.32963612383537D-07 -0.17688211712109D-16
|
|
3 1 3 2 0.16473370719005D-09 0.12011688537540D-15
|
|
1 2 3 2 -0.13838229962007D-06 0.11291038030018D-16
|
|
2 2 3 2 -0.70308999192599D-03 -0.36073661341287D-16
|
|
3 2 3 2 0.29193235240009D+00 0.53193669087570D-17
|
|
Band: 6
|
|
1 1 1 1 -0.52033484883201D+00 -0.11960105215231D-16
|
|
2 1 1 1 -0.94558921833317D-08 -0.12413539978568D-16
|
|
3 1 1 1 -0.13836466713212D-06 0.21818686447439D-15
|
|
1 2 1 1 -0.32748379995798D-09 -0.15632478233983D-15
|
|
2 2 1 1 -0.16771018176124D-02 0.21913938999263D-16
|
|
3 2 1 1 0.99576475705776D+00 0.18872845837326D-16
|
|
1 1 2 1 -0.94558921837603D-08 0.15536035121573D-16
|
|
2 1 2 1 -0.14921101129607D+00 -0.19176825925837D-17
|
|
3 1 2 1 0.37536681962571D-02 -0.34628069597578D-16
|
|
1 2 2 1 0.10005077599270D-02 0.70603889167406D-17
|
|
2 2 2 1 0.21257715373394D-09 -0.73467701046928D-17
|
|
3 2 2 1 -0.32388607180980D-07 -0.32611657778008D-16
|
|
1 1 3 1 -0.13836466713298D-06 -0.20863616945460D-15
|
|
2 1 3 1 0.37536681962571D-02 0.38097516549532D-16
|
|
3 1 3 1 0.29191440477786D+00 -0.21412992906589D-17
|
|
1 2 3 1 0.53883758046289D-01 0.39118630400834D-16
|
|
2 2 3 1 0.33371697377560D-07 -0.64840918825852D-16
|
|
3 2 3 1 0.20659070903280D-09 -0.36900939997738D-15
|
|
1 1 1 2 -0.32748381123368D-09 0.17595281530824D-15
|
|
2 1 1 2 0.10005077599269D-02 -0.12149501283342D-18
|
|
3 1 1 2 0.53883758046289D-01 -0.37519432196418D-16
|
|
1 2 1 2 -0.61153426315388D+00 0.39031278209478D-17
|
|
2 2 1 2 0.86841749715403D-08 -0.81619699956679D-17
|
|
3 2 1 2 0.13842352229676D-06 0.13122384838786D-15
|
|
1 1 2 2 -0.16771018176124D-02 -0.38176971586546D-16
|
|
2 1 2 2 0.21257717734383D-09 -0.39990492809601D-17
|
|
3 1 2 2 0.33371697352964D-07 0.68299186742020D-16
|
|
1 2 2 2 0.86841750102802D-08 0.79252109486229D-17
|
|
2 2 2 2 -0.70180452757202D+00 -0.10164395367052D-18
|
|
3 2 2 2 -0.56076534923965D-02 0.30006464087642D-16
|
|
1 1 3 2 0.99576475705776D+00 -0.22999590356349D-16
|
|
2 1 3 2 -0.32388607158257D-07 0.36508513088371D-16
|
|
3 1 3 2 0.20659071250225D-09 0.37893124519541D-15
|
|
1 2 3 2 0.13842352234788D-06 -0.16248377650387D-15
|
|
2 2 3 2 -0.56076534923965D-02 -0.12659229327874D-16
|
|
3 2 3 2 0.45934320374232D+01 -0.13010426069826D-17
|
|
Band: 7
|
|
1 1 1 1 -0.96580949503283D+00 0.49060148304969D-17
|
|
2 1 1 1 -0.32777916574009D-08 0.21355877115669D-16
|
|
3 1 1 1 -0.31027035635625D-07 -0.13035187145010D-16
|
|
1 2 1 1 -0.24313775251443D-09 0.28995049396076D-16
|
|
2 2 1 1 0.98481812896678D-03 -0.38992062169350D-17
|
|
3 2 1 1 0.33091230234827D+00 0.61365343142371D-16
|
|
1 1 2 1 -0.32777916296140D-08 -0.22884361820867D-16
|
|
2 1 2 1 0.12146841130173D+01 -0.45350143995995D-17
|
|
3 1 2 1 -0.62084480336814D-02 0.54281212001707D-16
|
|
1 2 2 1 -0.18716806769075D-02 -0.52050326022918D-16
|
|
2 2 2 1 -0.21211894614720D-09 -0.28073839216575D-15
|
|
3 2 2 1 -0.49476380965367D-08 0.12522370768024D-15
|
|
1 1 3 1 -0.31027035531031D-07 0.25771111583726D-16
|
|
2 1 3 1 -0.62084480336815D-02 -0.63822191119579D-16
|
|
3 1 3 1 -0.87144083336695D+00 0.88091426514447D-17
|
|
1 2 3 1 0.13998139664594D+00 0.26915683875090D-16
|
|
2 2 3 1 0.39640099592156D-08 0.14583755108793D-15
|
|
3 2 3 1 -0.23905259048408D-09 -0.12838113445421D-16
|
|
1 1 1 2 -0.24313777716166D-09 -0.21689366754757D-16
|
|
2 1 1 2 -0.18716806769075D-02 0.50207182329693D-16
|
|
3 1 1 2 0.13998139664594D+00 -0.55840061314378D-17
|
|
1 2 1 2 -0.19453216326364D+00 -0.67762635780344D-18
|
|
2 2 1 2 0.40208080260735D-08 -0.76617710499257D-16
|
|
3 2 1 2 0.31522850692912D-07 0.22896186015388D-16
|
|
1 1 2 2 0.98481812896677D-03 0.52002488239176D-17
|
|
2 1 2 2 -0.21211892852891D-09 0.39263764825507D-16
|
|
3 1 2 2 0.39640099576537D-08 -0.15264513710063D-15
|
|
1 2 2 2 0.40208080251943D-08 0.75004708097984D-16
|
|
2 2 2 2 0.68164716163183D-01 -0.68440262138147D-17
|
|
3 2 2 2 0.37782977066255D-02 0.12455151667340D-17
|
|
1 1 3 2 0.33091230234827D+00 -0.55693610527556D-16
|
|
2 1 3 2 -0.49476380989609D-08 -0.12493319636904D-15
|
|
3 1 3 2 -0.23905255620568D-09 -0.75854429285978D-17
|
|
1 2 3 2 0.31522850708844D-07 -0.31500279052195D-16
|
|
2 2 3 2 0.37782977066255D-02 -0.37815342874555D-18
|
|
3 2 3 2 -0.26002156058409D+00 -0.15720931501040D-17
|
|
Band: 8
|
|
1 1 1 1 -0.19452798840217D+00 0.88870696825921D-17
|
|
2 1 1 1 0.37170064662032D-08 -0.19026757726560D-16
|
|
3 1 1 1 0.31521551256504D-07 0.20320504030437D-16
|
|
1 2 1 1 -0.24347876779302D-09 -0.26839722280165D-16
|
|
2 2 1 1 0.79460618066365D-03 -0.44539448064358D-16
|
|
3 2 1 1 0.13998122316419D+00 -0.36275337620077D-16
|
|
1 1 2 1 0.37170064648310D-08 0.15992766566400D-16
|
|
2 1 2 1 0.68173765381114D-01 0.95714723039736D-19
|
|
3 1 2 1 -0.75190625180000D-03 -0.14481030579904D-16
|
|
1 2 2 1 -0.14481409993751D-03 -0.16832474334647D-16
|
|
2 2 2 1 0.43994468795524D-10 -0.39452463872289D-15
|
|
3 2 2 1 0.43708884214361D-08 -0.78903331545732D-16
|
|
1 1 3 1 0.31521551256033D-07 -0.38164689521543D-16
|
|
2 1 3 1 -0.75190625180000D-03 0.13613668841916D-16
|
|
3 1 3 1 -0.26007262382777D+00 -0.12522535092208D-16
|
|
1 2 3 1 0.33090572245038D+00 0.12132091094260D-17
|
|
2 2 3 1 -0.41528325075375D-08 0.57173706871646D-16
|
|
3 2 3 1 -0.23944555717001D-09 -0.14056845595104D-16
|
|
1 1 1 2 -0.24347875869837D-09 0.46156677106026D-16
|
|
2 1 1 2 -0.14481409993751D-03 0.21711384110831D-16
|
|
3 1 1 2 0.33090572245038D+00 0.28346546683855D-16
|
|
1 2 1 2 -0.96581400214818D+00 0.33709264322761D-17
|
|
2 2 1 2 -0.38889760414553D-08 -0.58949038340745D-16
|
|
3 2 1 2 -0.31025206731820D-07 0.28427737113023D-16
|
|
1 1 2 2 0.79460618066362D-03 0.50610980230277D-16
|
|
2 1 2 2 0.43994439901536D-10 0.41975711002257D-15
|
|
3 1 2 2 -0.41528325128069D-08 -0.52223217434744D-16
|
|
1 2 2 2 -0.38889760230923D-08 0.56762604767143D-16
|
|
2 2 2 2 0.12146999634577D+01 -0.14764419545353D-16
|
|
3 2 2 2 0.25324457562500D-02 0.65061959791031D-16
|
|
1 1 3 2 0.13998122316419D+00 0.11240431831029D-16
|
|
2 1 3 2 0.43708884099262D-08 0.87454543358956D-16
|
|
3 1 3 2 -0.23944554747320D-09 0.34293301249662D-16
|
|
1 2 3 2 -0.31025206626220D-07 -0.43765744710677D-16
|
|
2 2 3 2 0.25324457562501D-02 -0.54653618935171D-16
|
|
3 2 3 2 -0.87145997924768D+00 0.11384122811098D-16
|
|
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.22349218867401D+01 -0.13036076940621D-18
|
|
2 1 1 1 0.44435794809008D-09 0.48389192096400D-16
|
|
3 1 1 1 -0.44688192937860D-07 0.17965916226704D-15
|
|
1 2 1 1 -0.34935247064695D-09 0.57213070547422D-18
|
|
2 2 1 1 0.88251705485305D-08 -0.14064386110372D-16
|
|
3 2 1 1 0.43445867760465D-02 0.94993854542360D-17
|
|
1 1 2 1 0.44435794325188D-09 -0.42217996143800D-16
|
|
2 1 2 1 -0.21984494812607D+01 0.81431376642598D-17
|
|
3 1 2 1 -0.63662177504113D-08 0.17237854973587D-16
|
|
1 2 2 1 -0.88199876188386D-08 -0.23682780891954D-16
|
|
2 2 2 1 -0.42096312787645D-11 -0.44045410105702D-16
|
|
3 2 2 1 0.32518969921289D-09 -0.22410138397350D-16
|
|
1 1 3 1 -0.44688192925977D-07 -0.18659805617095D-15
|
|
2 1 3 1 -0.63662177348315D-08 -0.21520453373959D-16
|
|
3 1 3 1 -0.20495827406232D+01 -0.21804646383020D-17
|
|
1 2 3 1 0.35010147576791D+00 0.60518360232843D-16
|
|
2 2 3 1 -0.31593805424882D-09 -0.13247931298421D-17
|
|
3 2 3 1 -0.28735083694933D-09 -0.14601366876762D-16
|
|
1 1 1 2 -0.34935246032694D-09 0.24636353774852D-17
|
|
2 1 1 2 -0.88199876022528D-08 0.13708120877623D-16
|
|
3 1 1 2 0.35010147576791D+00 -0.64241487064302D-16
|
|
1 2 1 2 -0.33429951492113D+00 -0.39188710325587D-17
|
|
2 2 1 2 -0.45178424039224D-09 0.99934013983763D-17
|
|
3 2 1 2 0.45381581431948D-07 -0.20487883860533D-16
|
|
1 1 2 2 0.88251705647700D-08 0.14037281056060D-16
|
|
2 1 2 2 -0.42096389116852D-11 0.50984304009610D-16
|
|
3 1 2 2 -0.31593805366868D-09 0.12037611155872D-16
|
|
1 2 2 2 -0.45178423753607D-09 -0.77544624966181D-17
|
|
2 2 2 2 -0.23010355697400D+00 0.63527330164874D-18
|
|
3 2 2 2 0.63599938566873D-08 0.14656375104660D-17
|
|
1 1 3 2 0.43445867760465D-02 -0.70804438181543D-17
|
|
2 1 3 2 0.32518969080447D-09 0.16714146074434D-16
|
|
3 1 3 2 -0.28735083747082D-09 0.23274984256647D-16
|
|
1 2 3 2 0.45381581426097D-07 0.20487883860533D-16
|
|
2 2 3 2 0.63599938566692D-08 -0.38143532626748D-18
|
|
3 2 3 2 -0.29516387346732D+00 -0.15230429941408D-17
|
|
Band: 2
|
|
1 1 1 1 -0.33429951493203D+00 -0.58249107478280D-18
|
|
2 1 1 1 -0.45179279839722D-09 -0.25651588912617D-17
|
|
3 1 1 1 0.45382115431986D-07 -0.29981998667697D-16
|
|
1 2 1 1 -0.34427519927514D-09 -0.41093743216217D-16
|
|
2 2 1 1 -0.88180629652840D-08 0.22973459371768D-16
|
|
3 2 1 1 0.35010147577248D+00 -0.38406483310393D-16
|
|
1 1 2 1 -0.45179278845293D-09 0.12943138179347D-17
|
|
2 1 2 1 -0.23010355698321D+00 0.20292466519220D-17
|
|
3 1 2 1 0.63596614871023D-08 0.13908220750764D-16
|
|
1 2 2 1 0.88270805482012D-08 0.15193540962779D-16
|
|
2 2 2 1 -0.53664022992996D-11 0.32205066480579D-16
|
|
3 2 2 1 -0.31592538108260D-09 0.20210953576101D-16
|
|
1 1 3 1 0.45382115433926D-07 0.24777828239766D-16
|
|
2 1 3 1 0.63596614888076D-08 -0.13176384298473D-16
|
|
3 1 3 1 -0.29516387348462D+00 0.16879269735925D-17
|
|
1 2 3 1 0.43445867850988D-02 0.56776570493494D-16
|
|
2 2 3 1 0.32520074809074D-09 -0.14254124152998D-16
|
|
3 2 3 1 -0.28815410739232D-09 -0.10497877645930D-15
|
|
1 1 1 2 -0.34427519084454D-09 0.39792700609235D-16
|
|
2 1 1 2 0.88270805496394D-08 -0.17063789713649D-16
|
|
3 1 1 2 0.43445867850988D-02 -0.46219951308978D-16
|
|
1 2 1 2 -0.22349218867506D+01 0.74109483019032D-17
|
|
2 2 1 2 0.44433688467490D-09 0.43272869328193D-16
|
|
3 2 1 2 -0.44687642937524D-07 0.31731831662224D-16
|
|
1 1 2 2 -0.88180629645896D-08 -0.27052769984353D-16
|
|
2 1 2 2 -0.53663903504298D-11 -0.25266172576671D-16
|
|
3 1 2 2 0.32520074620082D-09 0.15893670383883D-17
|
|
1 2 2 2 0.44433685120714D-09 -0.44658149630613D-16
|
|
2 2 2 2 -0.21984494812345D+01 -0.33829131065326D-17
|
|
3 2 2 2 -0.63665345598990D-08 -0.23569392647552D-17
|
|
1 1 3 2 0.35010147577248D+00 0.51590853701564D-16
|
|
2 1 3 2 -0.31592536862467D-09 -0.16609596080165D-16
|
|
3 1 3 2 -0.28815410674851D-09 0.87631541699534D-16
|
|
1 2 3 2 -0.44687642912410D-07 -0.34333916876189D-16
|
|
2 2 3 2 -0.63665345482198D-08 0.44169234700258D-17
|
|
3 2 3 2 -0.20495827405958D+01 -0.92747626182508D-20
|
|
Band: 3
|
|
1 1 1 1 -0.15200597145517D+01 0.10123133943736D-16
|
|
2 1 1 1 0.44105925665562D-09 0.97275840158678D-17
|
|
3 1 1 1 -0.21164719231860D-06 0.16586777088806D-15
|
|
1 2 1 1 -0.35378206720399D-09 -0.14359797172667D-16
|
|
2 2 1 1 0.85556806459700D-08 -0.31289047570129D-16
|
|
3 2 1 1 0.66282161538805D+00 -0.11317577075009D-16
|
|
1 1 2 1 0.44105924232697D-09 -0.15739215173946D-16
|
|
2 1 2 1 -0.31364534003189D+01 -0.12019015105602D-16
|
|
3 1 2 1 -0.53024966672215D-07 0.13496871046376D-15
|
|
1 2 2 1 -0.85499061183269D-08 0.39878042499560D-16
|
|
2 2 2 1 -0.12649116692831D-10 -0.13917861629815D-16
|
|
3 2 2 1 0.26817417597911D-08 0.55587100979757D-16
|
|
1 1 3 1 -0.21164719234528D-06 -0.13117330136852D-15
|
|
2 1 3 1 -0.53024966631795D-07 -0.12542773439611D-15
|
|
3 1 3 1 -0.53324160064982D+01 -0.20644846519992D-16
|
|
1 2 3 1 -0.35044705569525D+00 0.23103447565706D-16
|
|
2 2 3 1 -0.26681818564778D-08 -0.22730493712823D-16
|
|
3 2 3 1 -0.68680257350031D-09 0.16887785770871D-15
|
|
1 1 1 2 -0.35378209176212D-09 0.36043840622378D-16
|
|
2 1 1 2 -0.85499061220711D-08 -0.21012922979327D-16
|
|
3 1 1 2 -0.35044705569525D+00 -0.48747843604731D-16
|
|
1 2 1 2 -0.70538919911049D+00 0.11913840176390D-16
|
|
2 2 1 2 -0.44105193209730D-09 0.49633102856143D-16
|
|
3 2 1 2 0.21280072362570D-06 -0.40126664396463D-16
|
|
1 1 2 2 0.85556806276893D-08 0.18495462445326D-16
|
|
2 1 2 2 -0.12649133716475D-10 -0.13837713985813D-16
|
|
3 1 2 2 -0.26681818751994D-08 0.26417729048256D-16
|
|
1 2 2 2 -0.44105191862873D-09 -0.50506591520929D-16
|
|
2 2 2 2 -0.82070929931922D+00 0.14408610422114D-16
|
|
3 2 2 2 0.53032559554381D-07 -0.27866702264858D-16
|
|
1 1 3 2 0.66282161538805D+00 -0.34632292717422D-16
|
|
2 1 3 2 0.26817417543792D-08 -0.43489569218328D-16
|
|
3 1 3 2 -0.68680263591168D-09 -0.37704467482593D-15
|
|
1 2 3 2 0.21280072362761D-06 0.50535005252324D-16
|
|
2 2 3 2 0.53032559544275D-07 0.96521080095368D-17
|
|
3 2 3 2 -0.16190847498559D+01 0.20738645492733D-16
|
|
Band: 4
|
|
1 1 1 1 -0.70538919911633D+00 -0.18555992961711D-16
|
|
2 1 1 1 -0.44111377769193D-09 0.15346370951600D-17
|
|
3 1 1 1 0.21280575125909D-06 -0.14998239238639D-15
|
|
1 2 1 1 -0.35082350781985D-09 0.28524762810986D-16
|
|
2 2 1 1 -0.85481784395525D-08 0.80079235698598D-16
|
|
3 2 1 1 -0.35044705568675D+00 -0.12565436295913D-16
|
|
1 1 2 1 -0.44111376602108D-09 -0.32550660629713D-17
|
|
2 1 2 1 -0.82070929932455D+00 -0.54194120967869D-17
|
|
3 1 2 1 0.53023884765682D-07 -0.94082632740095D-17
|
|
1 2 2 1 0.85574006026607D-08 -0.47965520715842D-16
|
|
2 2 2 1 0.24065546979927D-11 0.78629400320067D-16
|
|
3 2 2 1 -0.26682141952707D-08 -0.43671781608631D-16
|
|
1 1 3 1 0.21280575128171D-06 0.16386018019420D-15
|
|
2 1 3 1 0.53023884780181D-07 0.98419445695187D-17
|
|
3 1 3 1 -0.16190847499666D+01 0.19995301289624D-16
|
|
1 2 3 1 0.66282161538879D+00 0.94054342914190D-17
|
|
2 2 3 1 0.26814018071236D-08 -0.52958403638304D-16
|
|
3 2 3 1 -0.65299442382951D-09 0.14200506168270D-15
|
|
1 1 1 2 -0.35082355354335D-09 -0.14646975003171D-16
|
|
2 1 1 2 0.85574006196271D-08 0.48616041825463D-16
|
|
3 1 1 2 0.66282161538879D+00 -0.34669366539748D-16
|
|
1 2 1 2 -0.15200597145952D+01 0.60597134093267D-17
|
|
2 2 1 2 0.44121357930627D-09 0.67888736787018D-17
|
|
3 2 1 2 -0.21164215950819D-06 0.18719066482483D-16
|
|
1 1 2 2 -0.85481784544318D-08 -0.77693991423193D-16
|
|
2 1 2 2 0.24065924129123D-11 -0.71690506416160D-16
|
|
3 1 2 2 0.26814018066623D-08 0.22162522372514D-16
|
|
1 2 2 2 0.44121356981581D-09 0.95900550808080D-17
|
|
2 2 2 2 -0.31364534004307D+01 0.24316066501393D-17
|
|
3 2 2 2 -0.53033241770140D-07 -0.17252180561928D-15
|
|
1 1 3 2 -0.35044705568675D+00 0.51155695303592D-16
|
|
2 1 3 2 -0.26682141810670D-08 0.35821098096035D-16
|
|
3 1 3 2 -0.65299439356472D-09 -0.44860547027998D-16
|
|
1 2 3 2 -0.21164215948072D-06 -0.95046899425463D-16
|
|
2 2 3 2 -0.53033241827829D-07 0.15387352323775D-15
|
|
3 2 3 2 -0.53324160066653D+01 0.25654430980626D-16
|
|
Band: 5
|
|
1 1 1 1 -0.84368198603980D+00 0.11000046309077D-17
|
|
2 1 1 1 -0.60444680618595D-02 0.14225352263976D-16
|
|
3 1 1 1 -0.31727574222358D-07 -0.74713675163954D-19
|
|
1 2 1 1 -0.24730239400829D-09 -0.17202961506470D-16
|
|
2 2 1 1 0.50528294175062D-08 -0.26910028040876D-15
|
|
3 2 1 1 0.14865388650291D+00 0.18424523882658D-16
|
|
1 1 2 1 -0.60444680618595D-02 0.13534773465407D-16
|
|
2 1 2 1 0.11626279350678D+01 -0.28354372901827D-16
|
|
3 1 2 1 -0.45039881045315D-08 0.25063253202118D-16
|
|
1 2 2 1 -0.50685183516042D-08 -0.25051017654711D-16
|
|
2 2 2 1 -0.12062698721974D-10 -0.27102293822623D-15
|
|
3 2 2 1 -0.19836960101267D-02 0.34500184191374D-16
|
|
1 1 3 1 -0.31727574125846D-07 -0.10333627180697D-16
|
|
2 1 3 1 -0.45039881142935D-08 -0.67753713743734D-16
|
|
3 1 3 1 -0.93078641774475D+00 0.28608173834044D-17
|
|
1 2 3 1 0.32223423129374D+00 -0.31780933167886D-16
|
|
2 2 3 1 -0.37305955893516D-03 0.42050913770669D-17
|
|
3 2 3 1 -0.23638659633334D-09 -0.25134765501649D-16
|
|
1 1 1 2 -0.24730241823952D-09 0.10264067602563D-16
|
|
2 1 1 2 -0.50685183444012D-08 0.28330729226480D-16
|
|
3 1 1 2 0.32223423129374D+00 0.22282376834909D-16
|
|
1 2 1 2 -0.28783843199023D+00 0.11881999513071D-16
|
|
2 2 1 2 -0.41344074760755D-03 -0.22706975347702D-17
|
|
3 2 1 2 0.32223648470340D-07 0.38110134452043D-16
|
|
1 1 2 2 0.50528294259257D-08 0.27021836389913D-15
|
|
2 1 2 2 -0.12062724468662D-10 -0.11365199257163D-15
|
|
3 1 2 2 -0.37305955893516D-03 -0.11775845803437D-16
|
|
1 2 2 2 -0.41344074760756D-03 0.15400358716075D-17
|
|
2 2 2 2 0.12024147160903D+00 0.51276569450523D-17
|
|
3 2 2 2 0.45067714816210D-08 -0.71075416058752D-16
|
|
1 1 3 2 0.14865388650291D+00 0.62722337807013D-17
|
|
2 1 3 2 -0.19836960101267D-02 -0.37839919503907D-16
|
|
3 1 3 2 -0.23638659010854D-09 0.21665318549695D-16
|
|
1 2 3 2 0.32223648489295D-07 -0.31171240548135D-16
|
|
2 2 3 2 0.45067714838382D-08 0.75195384314197D-16
|
|
3 2 3 2 -0.22955551402781D+00 0.27388280953876D-17
|
|
Band: 6
|
|
1 1 1 1 -0.28783827859274D+00 0.10787014214120D-17
|
|
2 1 1 1 -0.66842722200832D-03 -0.95162868205727D-20
|
|
3 1 1 1 0.32224140129747D-07 -0.17300852939661D-16
|
|
1 2 1 1 -0.24689737585290D-09 0.55550019922700D-16
|
|
2 2 1 1 -0.50254505839247D-08 0.96210141299153D-16
|
|
3 2 1 1 0.32223444487620D+00 -0.34152574166862D-16
|
|
1 1 2 1 -0.66842722200831D-03 -0.26549128155610D-18
|
|
2 1 2 1 0.12024048923408D+00 -0.93250272821484D-17
|
|
3 1 2 1 0.43733851418575D-08 -0.90134163452275D-17
|
|
1 2 2 1 0.52379992277960D-08 -0.43298172604030D-16
|
|
2 2 2 1 0.57867056243113D-10 0.27328837383843D-15
|
|
3 2 2 1 0.10884178981618D-04 -0.31707832152593D-16
|
|
1 1 3 1 0.32224140112133D-07 0.41586981603336D-16
|
|
2 1 3 1 0.43733851391362D-08 0.88236809650425D-17
|
|
3 1 3 1 -0.22955467678848D+00 0.29794541083986D-17
|
|
1 2 3 1 0.14865348953277D+00 -0.27633228624093D-17
|
|
2 2 3 1 0.18581603034516D-02 -0.35755525582965D-16
|
|
3 2 3 1 -0.23623388589041D-09 -0.13702837043828D-15
|
|
1 1 1 2 -0.24689740051494D-09 -0.38202785162932D-16
|
|
2 1 1 2 0.52379992228034D-08 0.51605871750700D-16
|
|
3 1 1 2 0.14865348953277D+00 0.13571952304079D-17
|
|
1 2 1 2 -0.84368404611293D+00 -0.75101779221609D-17
|
|
2 2 1 2 0.57899243471592D-02 0.60903472863400D-16
|
|
3 2 1 2 -0.31727667782446D-07 0.79906472048577D-16
|
|
1 1 2 2 -0.50254505865232D-08 -0.10512092790427D-15
|
|
2 1 2 2 0.57867023969671D-10 -0.32923320593868D-15
|
|
3 1 2 2 0.18581603034516D-02 0.34409181602555D-16
|
|
1 2 2 2 0.57899243471592D-02 -0.52166841691632D-16
|
|
2 2 2 2 0.11626295935606D+01 -0.41779565115170D-17
|
|
3 2 2 2 -0.45340182609676D-08 0.19081800734425D-15
|
|
1 1 3 2 0.32223444487620D+00 0.20268860437139D-16
|
|
2 1 3 2 0.10884178981625D-04 0.27559105412189D-16
|
|
3 1 3 2 -0.23623386368862D-09 0.11447696525058D-15
|
|
1 2 3 2 -0.31727667726878D-07 -0.45212002529041D-16
|
|
2 2 3 2 -0.45340182711399D-08 -0.19717414258045D-15
|
|
3 2 3 2 -0.93078726402412D+00 0.16651509690162D-17
|
|
Band: 7
|
|
1 1 1 1 0.44214295040163D+01 0.35216321224384D-17
|
|
2 1 1 1 0.70143266301405D-02 -0.27822473212449D-16
|
|
3 1 1 1 0.13580041282905D-06 0.20225321388600D-16
|
|
1 2 1 1 0.19763201172541D-09 -0.10132074969887D-15
|
|
2 2 1 1 -0.38900108278321D-07 0.98945082456791D-16
|
|
3 2 1 1 0.95809859284400D+00 0.45093311029721D-16
|
|
1 1 2 1 0.70143266301405D-02 0.23286025619040D-16
|
|
2 1 2 1 -0.67970725391483D+00 -0.14663357720038D-16
|
|
3 1 2 1 0.10573702724175D-07 -0.20993930980306D-16
|
|
1 2 2 1 0.38683477720421D-07 0.32488622645619D-16
|
|
2 2 2 1 -0.49327534526509D-10 0.12234249609276D-16
|
|
3 2 2 1 0.22626717571790D-02 0.95693830416314D-17
|
|
1 1 3 1 0.13580041284761D-06 -0.60123961336067D-16
|
|
2 1 3 1 0.10573702740001D-07 0.29071237165323D-16
|
|
3 1 3 1 -0.60789191265842D+00 -0.97082199933833D-18
|
|
1 2 3 1 0.91554985335861D-01 -0.97955077955618D-16
|
|
2 2 3 1 0.10858542998256D-03 0.92945398103021D-17
|
|
3 2 3 1 -0.31026917029072D-09 -0.11578990101139D-15
|
|
1 1 1 2 0.19763203143142D-09 0.61422109751405D-16
|
|
2 1 1 2 0.38683477718118D-07 -0.36717011118312D-16
|
|
3 1 1 2 0.91554985335861D-01 0.85610363844244D-16
|
|
1 2 1 2 0.46396957488947D+00 -0.37524184084728D-17
|
|
2 2 1 2 -0.51668001687385D-03 -0.28913122940768D-16
|
|
3 2 1 2 -0.13575918077466D-06 -0.80544661619755D-16
|
|
1 1 2 2 -0.38900108288758D-07 -0.10946184352990D-15
|
|
2 1 2 2 -0.49327560215726D-10 -0.10499526133300D-16
|
|
3 1 2 2 0.10858542998255D-03 -0.49422876583237D-17
|
|
1 2 2 2 -0.51668001687385D-03 0.23048845633612D-16
|
|
2 2 2 2 -0.17132695231270D+00 -0.40133532306363D-17
|
|
3 2 2 2 -0.10426084576462D-07 0.41164879557257D-16
|
|
1 1 3 2 0.95809859284400D+00 -0.42494104404288D-16
|
|
2 1 3 2 0.22626717571790D-02 -0.13459385393264D-16
|
|
3 1 3 2 -0.31026919284967D-09 0.12446351839127D-15
|
|
1 2 3 2 -0.13575918077879D-06 0.55391171218091D-16
|
|
2 2 3 2 -0.10426084576042D-07 -0.39430156081280D-16
|
|
3 2 3 2 -0.52397695064260D+00 0.20831438613850D-16
|
|
Band: 8
|
|
1 1 1 1 0.46397360898443D+00 -0.38784038060289D-18
|
|
2 1 1 1 -0.30143136170734D-03 0.13595033333857D-16
|
|
3 1 1 1 -0.13574683004158D-06 0.13137660128336D-15
|
|
1 2 1 1 0.19209982232283D-09 -0.43425389595515D-16
|
|
2 2 1 1 0.38868330306865D-07 -0.39318661100366D-16
|
|
3 2 1 1 0.91555174550261D-01 0.29273622163025D-17
|
|
1 1 2 1 -0.30143136170734D-03 -0.14731427914658D-16
|
|
2 1 2 1 -0.17132745509146D+00 0.72014351883685D-18
|
|
3 1 2 1 -0.10462902640783D-07 -0.41915238733190D-17
|
|
1 2 2 1 -0.38851331408280D-07 0.57407211462663D-16
|
|
2 2 2 1 0.21654195550744D-11 -0.17850990511144D-17
|
|
3 2 2 1 -0.28985990497837D-03 0.19519693830816D-16
|
|
1 1 3 1 -0.13574683003436D-06 -0.10709047261969D-15
|
|
2 1 3 1 -0.10462902639310D-07 -0.13379072063571D-17
|
|
3 1 3 1 -0.52397776812871D+00 0.77443957669665D-17
|
|
1 2 3 1 0.95809939260678D+00 0.14652853870234D-15
|
|
2 2 3 1 -0.15936861545395D-02 0.56197551385061D-17
|
|
3 2 3 1 -0.31727062412517D-09 0.11946840780979D-15
|
|
1 1 1 2 0.19209982901383D-09 0.68145199128185D-16
|
|
2 1 1 2 -0.38851331419940D-07 -0.48869119354339D-16
|
|
3 1 1 2 0.95809939260678D+00 -0.14080871711543D-15
|
|
1 2 1 2 0.44214357515932D+01 -0.53794797782325D-17
|
|
2 2 1 2 -0.48598035961967D-02 -0.97224811945159D-16
|
|
3 2 1 2 0.13581466027326D-06 -0.18558182642334D-16
|
|
1 1 2 2 0.38868330307604D-07 0.30075837579927D-16
|
|
2 1 2 2 0.21654000982498D-11 0.33010121618697D-16
|
|
3 1 2 2 -0.15936861545396D-02 0.75887677371345D-18
|
|
1 2 2 2 -0.48598035961967D-02 0.99063058005375D-16
|
|
2 2 2 2 -0.67971039756078D+00 0.17263874599562D-17
|
|
3 2 2 2 0.10437426620890D-07 0.27071545944501D-16
|
|
1 1 3 2 0.91555174550261D-01 -0.61774990826427D-17
|
|
2 1 3 2 -0.28985990497836D-03 -0.18537668109521D-16
|
|
3 1 3 2 -0.31727062265240D-09 -0.51380511377700D-16
|
|
1 2 3 2 0.13581466027891D-06 0.64151183104959D-17
|
|
2 2 3 2 0.10437426619602D-07 -0.27505226813495D-16
|
|
3 2 3 2 -0.60789104657714D+00 0.38761075526485D-17
|
|
K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.47901590062484D+01 -0.35404722158516D-17
|
|
2 1 1 1 0.10181266907224D-09 -0.83579501924311D-17
|
|
3 1 1 1 0.11224481792204D-08 0.23254543735754D-17
|
|
1 2 1 1 -0.57971941694132D-09 0.49434395858587D-16
|
|
2 2 1 1 0.15080779499138D-09 0.36151559033759D-17
|
|
3 2 1 1 0.51084588869136D+00 -0.26618378106160D-16
|
|
1 1 2 1 0.10181264562370D-09 0.10102454806181D-16
|
|
2 1 2 1 -0.27220347445686D+01 0.16927299978193D-17
|
|
3 1 2 1 0.83449316250205D-10 0.95155719998855D-16
|
|
1 2 2 1 -0.13457495548214D-09 -0.27826798356578D-16
|
|
2 2 2 1 -0.42869061272203D-11 0.15935006860407D-17
|
|
3 2 2 1 -0.15103349392521D-09 -0.11972731420683D-16
|
|
1 1 3 1 0.11224481359319D-08 -0.53048363371643D-17
|
|
2 1 3 1 0.83449299709068D-10 -0.10079035883647D-15
|
|
3 1 3 1 -0.47901590047418D+01 0.12702405933229D-17
|
|
1 2 3 1 0.51084588881172D+00 -0.49462412112226D-16
|
|
2 2 3 1 0.17113491886215D-09 -0.91246772419095D-17
|
|
3 2 3 1 -0.56081031585516D-09 -0.44189552500283D-16
|
|
1 1 1 2 -0.57971941345308D-09 -0.49346709472041D-16
|
|
2 1 1 2 -0.13457494720123D-09 0.27601854602306D-16
|
|
3 1 1 2 0.51084588881172D+00 0.49439076070832D-16
|
|
1 2 1 2 -0.83662409620377D-01 0.21894459052836D-20
|
|
2 2 1 2 -0.11608904918514D-09 0.26373966934173D-18
|
|
3 2 1 2 0.12877595429073D-09 0.11169611094644D-16
|
|
1 1 2 2 0.15080779420309D-09 -0.34319271407039D-17
|
|
2 1 2 2 -0.42869169293101D-11 -0.13917795265314D-17
|
|
3 1 2 2 0.17113491651519D-09 0.90020566503086D-17
|
|
1 2 2 2 -0.11608904903534D-09 -0.25271225039354D-18
|
|
2 2 2 2 -0.14538916877127D-01 -0.22857110403837D-19
|
|
3 2 2 2 -0.95170974399136D-10 0.78730313058618D-20
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|
1 1 3 2 0.51084588869136D+00 0.26876327649139D-16
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|
2 1 3 2 -0.15103346637066D-09 0.12014268942207D-16
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|
3 1 3 2 -0.56081031380575D-09 0.43729532503841D-16
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|
1 2 3 2 0.12877595442617D-09 -0.11180886968301D-16
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|
2 2 3 2 -0.95170973849207D-10 -0.11794502532938D-19
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|
3 2 3 2 -0.83662409490563D-01 -0.68660860198991D-20
|
|
Band: 2
|
|
1 1 1 1 -0.83662409622703D-01 -0.79179848249927D-20
|
|
2 1 1 1 -0.11609815100626D-09 -0.46836983656965D-18
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|
3 1 1 1 0.12877766779656D-09 0.34866000657295D-17
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|
1 2 1 1 -0.57973875008693D-09 -0.30651342958261D-17
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|
2 2 1 1 -0.13450583608024D-09 -0.25504558322993D-16
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|
3 2 1 1 0.51084588882129D+00 0.55769560324728D-17
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|
1 1 2 1 -0.11609815145345D-09 0.44382782427690D-18
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|
2 1 2 1 -0.14538916877478D-01 -0.38515730234703D-19
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|
3 1 2 1 -0.95166063077446D-10 0.30668537798794D-17
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|
1 2 2 1 0.15076503251352D-09 -0.22881338440407D-16
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|
2 2 2 1 -0.42682173846793D-11 -0.21367055860418D-17
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|
3 2 2 1 0.17114788834731D-09 -0.58155903542769D-17
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|
1 1 3 1 0.12877766823688D-09 -0.34920232436816D-17
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|
2 1 3 1 -0.95166063721713D-10 -0.30540318728626D-17
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|
3 1 3 1 -0.83662409492892D-01 0.14362686053291D-19
|
|
1 2 3 1 0.51084588870116D+00 0.22748610637823D-16
|
|
2 2 3 1 -0.15113028928030D-09 0.31396381095095D-17
|
|
3 2 3 1 -0.56082599411097D-09 0.88261870496170D-18
|
|
1 1 1 2 -0.57973875783991D-09 0.31174767253679D-17
|
|
2 1 1 2 0.15076502647152D-09 0.23158841813015D-16
|
|
3 1 1 2 0.51084588870116D+00 -0.22810062800748D-16
|
|
1 2 1 2 -0.47901590062932D+01 -0.20321154964263D-17
|
|
2 2 1 2 0.10176977108382D-09 0.19016690351065D-15
|
|
3 2 1 2 0.11225128125593D-08 0.19228719654298D-15
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|
1 1 2 2 -0.13450583405147D-09 0.25467872442774D-16
|
|
2 1 2 2 -0.42682161335857D-11 0.16408425053689D-17
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|
3 1 2 2 -0.15113029164103D-09 -0.32882559130574D-17
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|
1 2 2 2 0.10176974609631D-09 -0.18572443070118D-15
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|
2 2 2 2 -0.27220347448093D+01 0.90278004017476D-17
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|
3 2 2 2 0.83481522256197D-10 -0.61472652117235D-16
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|
1 1 3 2 0.51084588882129D+00 -0.58358824689947D-17
|
|
2 1 3 2 0.17114788815953D-09 0.58666664739228D-17
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|
3 1 3 2 -0.56082598730398D-09 -0.92661560611262D-18
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|
1 2 3 2 0.11225127496604D-08 -0.19899660188462D-15
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|
2 2 3 2 0.83481500055405D-10 0.62652677373421D-16
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|
3 2 3 2 -0.47901590047843D+01 0.30638826951502D-17
|
|
Band: 3
|
|
1 1 1 1 -0.28888959752583D+00 -0.19081958235745D-16
|
|
2 1 1 1 0.85381552896120D-01 -0.66016072675296D-16
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|
3 1 1 1 0.54059870046605D+00 0.89558672350196D-16
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|
1 2 1 1 -0.36604950705998D+00 -0.25145839859058D-16
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|
2 2 1 1 -0.67869508573076D-01 0.31579517139689D-15
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|
3 2 1 1 -0.66662067748539D-01 0.14056832349374D-15
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|
1 1 2 1 0.85381552896120D-01 0.61522699139038D-16
|
|
2 1 2 1 -0.71296209922214D+00 0.11926223897341D-17
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|
3 1 2 1 -0.68323382658252D-02 -0.38359967199625D-17
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|
1 2 2 1 -0.83462539752861D-01 -0.21992454925540D-16
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|
2 2 2 1 0.89171938658387D-01 -0.29157994632554D-16
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|
3 2 2 1 -0.31023848278893D+00 0.65375862536523D-16
|
|
1 1 3 1 0.54059870046605D+00 -0.10256909842002D-15
|
|
2 1 3 1 -0.68323382658252D-02 0.49201988924480D-17
|
|
3 1 3 1 -0.61348109144595D+00 0.60715321659188D-17
|
|
1 2 3 1 0.31567615258103D+00 -0.42767202183678D-16
|
|
2 2 3 1 0.45498480599878D-01 -0.13226434759216D-15
|
|
3 2 3 1 -0.36604962205946D+00 0.44627363783623D-16
|
|
1 1 1 2 -0.36604950705998D+00 0.56804543295635D-16
|
|
2 1 1 2 -0.83462539752861D-01 0.11042012983436D-16
|
|
3 1 1 2 0.31567615258103D+00 0.36695670017759D-16
|
|
1 2 1 2 -0.47251695414267D+00 0.86736173798840D-17
|
|
2 2 1 2 -0.12545342241887D+00 0.26318951035239D-16
|
|
3 2 1 2 0.10459856715834D+00 -0.53853704550967D-17
|
|
1 1 2 2 -0.67869508573076D-01 -0.32056566095582D-15
|
|
2 1 2 2 0.89171938658387D-01 0.16364408997225D-16
|
|
3 1 2 2 0.45498480599878D-01 0.13520755474951D-15
|
|
1 2 2 2 -0.12545342241887D+00 -0.20646663692426D-16
|
|
2 2 2 2 -0.72859788873440D+00 0.86736173798840D-18
|
|
3 2 2 2 -0.16073757445660D-01 0.15718435685978D-15
|
|
1 1 3 2 -0.66662067748539D-01 -0.12148636525800D-15
|
|
2 1 3 2 -0.31023848278893D+00 -0.63938215807666D-16
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|
3 1 3 2 -0.36604962205946D+00 -0.61974598543391D-16
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|
1 2 3 2 0.10459856715834D+00 -0.68616171082217D-18
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|
2 2 3 2 -0.16073757445660D-01 -0.13983712210001D-15
|
|
3 2 3 2 -0.59705082280186D+00 -0.69388939039072D-17
|
|
Band: 4
|
|
1 1 1 1 -0.69281125321032D+00 -0.32526065174565D-17
|
|
2 1 1 1 -0.10095721429390D+00 -0.12712306620411D-16
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|
3 1 1 1 0.12090574874574D+00 -0.28650076320481D-16
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|
1 2 1 1 -0.82855737347473D-01 0.43695331669962D-16
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|
2 2 1 1 -0.21291322764453D-01 -0.14360905096035D-15
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|
3 2 1 1 0.47987688647986D+00 0.13570982169729D-16
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|
1 1 2 1 -0.10095721429390D+00 0.11368347272460D-16
|
|
2 1 2 1 -0.15546082243808D+01 0.48789097761848D-18
|
|
3 1 2 1 -0.28004032805838D-01 -0.20524327167216D-16
|
|
1 2 2 1 0.91017101430884D-01 0.81754724074635D-16
|
|
2 2 2 1 0.20184161815231D-01 0.33698158098771D-17
|
|
3 2 2 1 0.33871418128128D+00 -0.72311552711995D-16
|
|
1 1 3 1 0.12090574874574D+00 0.28650076320481D-16
|
|
2 1 3 1 -0.28004032805838D-01 0.20524327167216D-16
|
|
3 1 3 1 -0.81257489807584D+00 0.34694469519536D-17
|
|
1 2 3 1 0.57315754648776D+00 0.40546230382005D-17
|
|
2 2 3 1 -0.70476770400707D-01 -0.15586834136679D-16
|
|
3 2 3 1 -0.82855720938171D-01 -0.32943689033900D-16
|
|
1 1 1 2 -0.82855737347473D-01 -0.57464699260528D-16
|
|
2 1 1 2 0.91017101430884D-01 -0.83706287985109D-16
|
|
3 1 1 2 0.57315754648776D+00 -0.17715570411518D-16
|
|
1 2 1 2 -0.76514644907446D+00 -0.15178830414797D-17
|
|
2 2 1 2 0.14155846329724D+00 0.68834407087264D-16
|
|
3 2 1 2 0.25135366487464D-01 0.76918254717865D-16
|
|
1 1 2 2 -0.21291322764453D-01 0.14512693400183D-15
|
|
2 1 2 2 0.20184161815231D-01 0.21675254374538D-16
|
|
3 1 2 2 -0.70476770400707D-01 0.13782326757396D-16
|
|
1 2 2 2 0.14155846329724D+00 -0.69760803154607D-16
|
|
2 2 2 2 -0.27683262173495D+00 0.32526065174565D-18
|
|
3 2 2 2 0.38557944458378D-01 -0.69258484755271D-16
|
|
1 1 3 2 0.47987688647986D+00 -0.10968896955764D-16
|
|
2 1 3 2 0.33871418128128D+00 0.72778819479079D-16
|
|
3 1 3 2 -0.82855720938171D-01 0.18632220357091D-16
|
|
1 2 3 2 0.25135366487464D-01 -0.77351935586859D-16
|
|
2 2 3 2 0.38557944458378D-01 0.70125846493259D-16
|
|
3 2 3 2 -0.83610111628295D+00 0.86736173798840D-18
|
|
Band: 5
|
|
1 1 1 1 -0.31844684433455D+00 -0.20816681711722D-16
|
|
2 1 1 1 -0.30248999409812D-01 0.68635484276345D-16
|
|
3 1 1 1 -0.11790194062817D+01 -0.29377944496632D-16
|
|
1 2 1 1 0.79023881587386D+00 0.21981693164576D-16
|
|
2 2 1 1 0.38978678366389D-01 0.56719613625850D-16
|
|
3 2 1 1 -0.50623107275559D-01 -0.15008642069205D-15
|
|
1 1 2 1 -0.30248999409812D-01 -0.66750251979191D-16
|
|
2 1 2 1 -0.52006472798242D+00 0.86736173798840D-18
|
|
3 1 2 1 0.75301068637906D-02 -0.11159662820840D-16
|
|
1 2 2 1 0.31590633865877D-01 0.51339145655529D-16
|
|
2 2 2 1 -0.19250703994703D+00 -0.95123352319395D-17
|
|
3 2 2 1 0.17353994784666D-02 0.46383779637639D-16
|
|
1 1 3 1 -0.11790194062817D+01 0.16223688810027D-17
|
|
2 1 3 1 0.75301068637906D-02 0.55760216325393D-17
|
|
3 1 3 1 0.45162501288132D-02 0.69388939039072D-17
|
|
1 2 3 1 -0.46872961660637D+00 0.10179005202327D-15
|
|
2 2 3 1 -0.80281271684545D-01 0.99875736179763D-16
|
|
3 2 3 1 0.79023898227288D+00 -0.94598132228498D-16
|
|
1 1 1 2 0.79023881587386D+00 -0.36726842710378D-16
|
|
2 1 1 2 0.31590633865877D-01 -0.60771704556153D-16
|
|
3 1 1 2 -0.46872961660637D+00 -0.10872894592718D-15
|
|
1 2 1 2 -0.33890964975637D+00 -0.27755575615629D-16
|
|
2 2 1 2 0.18360046311997D-01 -0.17477828436085D-17
|
|
3 2 1 2 -0.21385195734194D+00 0.16712410690805D-16
|
|
1 1 2 2 0.38978678366389D-01 -0.42624985383539D-16
|
|
2 1 2 2 -0.19250703994703D+00 -0.28643885932895D-19
|
|
3 1 2 2 -0.80281271684545D-01 -0.98710251931565D-16
|
|
1 2 2 2 0.18360046311997D-01 0.19091608180340D-17
|
|
2 2 2 2 -0.54890345626801D+00 -0.43368086899420D-18
|
|
3 2 2 2 0.31514876418921D-02 0.29172894831274D-16
|
|
1 1 3 2 -0.50623107275559D-01 0.12840237724234D-15
|
|
2 1 3 2 0.17353994784666D-02 -0.30963317048013D-16
|
|
3 1 3 2 0.79023898227288D+00 0.81587706158672D-16
|
|
1 2 3 2 -0.21385195734194D+00 -0.30590198498619D-16
|
|
2 2 3 2 0.31514876418921D-02 -0.27004490486303D-16
|
|
3 2 3 2 -0.23471994221789D+00 -0.17347234759768D-17
|
|
Band: 6
|
|
1 1 1 1 -0.26312301056887D+00 -0.56378512969246D-17
|
|
2 1 1 1 0.16968639023530D+00 0.43703777863569D-16
|
|
3 1 1 1 0.50875585849769D-01 -0.15345876032757D-16
|
|
1 2 1 1 -0.23133204617282D+00 -0.11934564851584D-15
|
|
2 2 1 1 0.66133560130277D-01 0.15332974554063D-16
|
|
3 2 1 1 0.19211244869432D+00 0.49072307364623D-18
|
|
1 1 2 1 0.16968639023530D+00 -0.42883352628284D-16
|
|
2 1 2 1 -0.40600177654444D+00 -0.29273458657109D-17
|
|
3 1 2 1 0.27864348328897D-01 -0.86272896691847D-17
|
|
1 2 2 1 -0.14781138494356D-01 -0.12744727179113D-16
|
|
2 2 2 1 0.56353910896176D-01 -0.32178716541924D-16
|
|
3 2 2 1 -0.88298710677699D-01 0.36224101425979D-16
|
|
1 1 3 1 0.50875585849769D-01 0.28908567584193D-16
|
|
2 1 3 1 0.27864348328897D-01 0.10362013145162D-16
|
|
3 1 3 1 -0.56414554793415D+00 0.11275702593849D-16
|
|
1 2 3 1 -0.33985651703129D+00 -0.15712966336272D-16
|
|
2 2 3 1 0.40375264341081D+00 0.53516634210502D-17
|
|
3 2 3 1 -0.23133206067411D+00 -0.15109961357504D-15
|
|
1 1 1 2 -0.23133204617282D+00 0.65135539891566D-16
|
|
2 1 1 2 -0.14781138494356D-01 0.84079184891714D-17
|
|
3 1 1 2 -0.33985651703129D+00 -0.16342684234957D-17
|
|
1 2 1 2 -0.26801016312459D-02 0.00000000000000D+00
|
|
2 2 1 2 -0.12193830121184D+00 0.26267387662034D-17
|
|
3 2 1 2 0.35686920765197D+00 -0.44895923129490D-16
|
|
1 1 2 2 0.66133560130277D-01 -0.11646687167612D-16
|
|
2 1 2 2 0.56353910896176D-01 0.33913440017901D-16
|
|
3 1 2 2 0.40375264341081D+00 -0.78550181665586D-17
|
|
1 2 2 2 -0.12193830121184D+00 -0.42903438380524D-17
|
|
2 2 2 2 -0.84316467437113D+00 0.76978354246471D-17
|
|
3 2 2 2 -0.20091486767551D-01 0.30239051914637D-16
|
|
1 1 3 2 0.19211244869432D+00 0.55808090922726D-17
|
|
2 1 3 2 -0.88298710677699D-01 -0.33654301484912D-16
|
|
3 1 3 2 -0.23133206067411D+00 0.14849752836107D-15
|
|
1 2 3 2 0.35686920765197D+00 0.62124573276642D-16
|
|
2 2 3 2 -0.20091486767551D-01 -0.28938009307654D-16
|
|
3 2 3 2 -0.58205421158530D+00 -0.16479873021780D-16
|
|
Band: 7
|
|
1 1 1 1 -0.50560467025006D+00 -0.43368086899420D-17
|
|
2 1 1 1 -0.12808406975860D+00 -0.33034895844867D-16
|
|
3 1 1 1 0.29974939212516D+00 0.58522049304297D-16
|
|
1 2 1 1 0.15192338050590D+00 0.69151040052720D-16
|
|
2 2 1 1 0.23985632651200D+00 -0.49199326746587D-16
|
|
3 2 1 1 0.14399064521525D+00 0.74734943373382D-16
|
|
1 1 2 1 -0.12808406975860D+00 0.32569942120345D-16
|
|
2 1 2 1 -0.35548025970328D+00 0.86736173798840D-18
|
|
3 1 2 1 0.11067954746054D+00 0.26838451536327D-16
|
|
1 2 2 1 -0.97205686434807D-01 -0.15585064981580D-16
|
|
2 2 2 1 -0.37009477346400D-01 -0.18275190740426D-16
|
|
3 2 2 1 0.97449481509404D-01 0.21352780702976D-16
|
|
1 1 3 1 0.29974939212516D+00 -0.65460943208204D-16
|
|
2 1 3 1 0.11067954746054D+00 -0.26567400993205D-16
|
|
3 1 3 1 -0.28410824526100D+00 0.62450045135165D-16
|
|
1 2 3 1 -0.19292924542885D+00 0.21507016029563D-15
|
|
2 2 3 1 -0.28649614845372D+00 0.20245681247570D-15
|
|
3 2 3 1 0.15192324646844D+00 -0.15318535852392D-15
|
|
1 1 1 2 0.15192338050590D+00 -0.63946869624790D-16
|
|
2 1 1 2 -0.97205686434807D-01 0.23838554019626D-16
|
|
3 1 1 2 -0.19292924542885D+00 -0.15955900906437D-15
|
|
1 2 1 2 -0.40346792156906D+00 0.10408340855861D-16
|
|
2 2 1 2 0.99469384618858D-01 -0.73284632100430D-16
|
|
3 2 1 2 -0.56752873916155D+00 0.76052849652779D-16
|
|
1 1 2 2 0.23985632651200D+00 0.40525709366703D-16
|
|
2 1 2 2 -0.37009477346400D-01 0.17733089654183D-16
|
|
3 1 2 2 -0.28649614845372D+00 -0.20922231800119D-15
|
|
1 2 2 2 0.99469384618858D-01 0.72470583858981D-16
|
|
2 2 2 2 -0.94159846088823D+00 -0.39031278209478D-17
|
|
3 2 2 2 -0.89087503146806D-01 -0.12211999689235D-15
|
|
1 1 3 2 0.14399064521525D+00 -0.66061325993498D-16
|
|
2 1 3 2 0.97449481509404D-01 -0.16760798103172D-16
|
|
3 1 3 2 0.15192324646844D+00 0.16359369937978D-15
|
|
1 2 3 2 -0.56752873916155D+00 -0.62175061844964D-16
|
|
2 2 3 2 -0.89087503146806D-01 0.11951791167839D-15
|
|
3 2 3 2 -0.35826389450674D+00 -0.52041704279304D-17
|
|
Band: 8
|
|
1 1 1 1 -0.38902759095174D+00 0.27755575615629D-16
|
|
2 1 1 1 0.42223403152827D-02 -0.19493400742227D-16
|
|
3 1 1 1 0.16688998015173D+00 -0.29288251705666D-17
|
|
1 2 1 1 -0.26192490680666D+00 0.22885588096157D-16
|
|
2 2 1 1 -0.25580773366592D+00 0.22930151199786D-16
|
|
3 2 1 1 -0.66023743893348D+00 0.11841548970410D-15
|
|
1 1 2 1 0.42223403152827D-02 0.19684405663707D-16
|
|
2 1 2 1 -0.43196034459010D+00 0.85651971626355D-17
|
|
3 1 2 1 -0.11123763159652D+00 -0.26588664113425D-16
|
|
1 2 2 1 0.72841629390658D-01 -0.26516996158405D-16
|
|
2 2 2 1 0.63806505909376D-01 -0.23138698444144D-16
|
|
3 2 2 1 -0.39361868792787D-01 -0.82927511179011D-16
|
|
1 1 3 1 0.16688998015173D+00 -0.57447922093174D-17
|
|
2 1 3 1 -0.11123763159652D+00 0.27727076394535D-16
|
|
3 1 3 1 -0.18810943142402D+00 -0.62883726004159D-17
|
|
1 2 3 1 0.15113904642873D+00 0.59320327455216D-17
|
|
2 2 3 1 -0.11996933461908D-01 -0.32289253212709D-16
|
|
3 2 3 1 -0.26192482604485D+00 -0.18899380154743D-16
|
|
1 1 1 2 -0.26192490680666D+00 -0.27222396786099D-16
|
|
2 1 1 2 0.72841629390658D-01 0.17463908018151D-16
|
|
3 1 1 2 0.15113904642873D+00 -0.11786724476943D-16
|
|
1 2 1 2 -0.47518189073869D+00 -0.43368086899420D-17
|
|
2 2 1 2 -0.11996170612757D-01 0.32179984120250D-16
|
|
3 2 1 2 0.29477755626238D+00 -0.52740996285902D-16
|
|
1 1 2 2 -0.25580773366592D+00 -0.18918603161590D-16
|
|
2 1 2 2 0.63806505909376D-01 0.27367086916838D-16
|
|
3 1 2 2 -0.11996933461908D-01 0.27168856302646D-16
|
|
1 2 2 2 -0.11996170612757D-01 -0.31531727688975D-16
|
|
2 2 2 2 -0.64198033046452D+00 -0.52041704279304D-17
|
|
3 2 2 2 0.83543315244696D-01 -0.11099576000769D-15
|
|
1 1 3 2 -0.66023743893348D+00 -0.15310995922364D-15
|
|
2 1 3 2 -0.39361868792787D-01 0.71361241807624D-16
|
|
3 1 3 2 -0.26192482604485D+00 -0.11891961543846D-16
|
|
1 2 3 2 0.29477755626238D+00 0.56210443237856D-16
|
|
2 2 3 2 0.83543315244696D-01 0.10795999392473D-15
|
|
3 2 3 2 0.15028702331878D+00 0.69388939039072D-17
|
|
|
|
2nd eigenvalue derivatives - # elements : 36
|
|
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
|
|
K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.22910859218356D+01 0.19474447578185D-17
|
|
2 1 1 1 -0.34030883991976D-07 0.37547810297181D-16
|
|
3 1 1 1 0.33387887175276D-09 0.23610900797977D-16
|
|
1 2 1 1 -0.33792256221936D-09 -0.93904729642293D-16
|
|
2 2 1 1 -0.58726540630761D-02 0.61243089071953D-16
|
|
3 2 1 1 0.82364568432556D-08 0.28496024885697D-16
|
|
1 1 2 1 -0.34030883957550D-07 -0.29741554655285D-16
|
|
2 1 2 1 -0.21014264182481D+01 -0.60913208077129D-18
|
|
3 1 2 1 -0.59487958938330D-08 0.96863037848270D-17
|
|
1 2 2 1 0.36031872120983D+00 0.20701835095223D-16
|
|
2 2 2 1 -0.28668098655587D-09 0.48739809827290D-16
|
|
3 2 2 1 -0.23542865747930D-09 0.31365280436949D-17
|
|
1 1 3 1 0.33387888120191D-09 -0.28831653819045D-16
|
|
2 1 3 1 -0.59487958854467D-08 -0.11731680891671D-16
|
|
3 1 3 1 -0.22566147928198D+01 0.33253841424956D-17
|
|
1 2 3 1 -0.82262177055946D-08 0.48510403862774D-16
|
|
2 2 3 1 0.24629176197660D-09 -0.83305268115050D-17
|
|
3 2 3 1 -0.45390877785819D-11 -0.32937360517429D-16
|
|
1 1 1 2 -0.33792256519744D-09 0.93904729642293D-16
|
|
2 1 1 2 0.36031872120983D+00 -0.23166999118645D-16
|
|
3 1 1 2 -0.82262177081286D-08 -0.57398644972054D-16
|
|
1 2 1 2 -0.27813548438233D+00 -0.53253598322950D-18
|
|
2 2 1 2 0.34710261705041D-07 0.92546217724963D-17
|
|
3 2 1 2 -0.34349391980630D-09 -0.29606681757802D-17
|
|
1 1 2 2 -0.58726540630761D-02 -0.60137005283928D-16
|
|
2 1 2 2 -0.28668097890750D-09 -0.48739809827290D-16
|
|
3 1 2 2 0.24629176145607D-09 0.10912048935828D-16
|
|
1 2 2 2 0.34710261705711D-07 -0.14483661306006D-17
|
|
2 2 2 2 -0.24332020217228D+00 -0.75954370822579D-18
|
|
3 2 2 2 0.59397263841322D-08 -0.94925378899770D-17
|
|
1 1 3 2 0.82364568301136D-08 -0.28633328042740D-16
|
|
2 1 3 2 -0.23542864286052D-09 0.49512133478669D-17
|
|
3 1 3 2 -0.45390775442288D-11 0.25998466613521D-16
|
|
1 2 3 2 -0.34349391526744D-09 0.44859671951818D-17
|
|
2 2 3 2 0.59397263815372D-08 0.74269610662998D-17
|
|
3 2 3 2 -0.17193824580720D+00 0.14304782265725D-17
|
|
Band: 2
|
|
1 1 1 1 -0.27813548439111D+00 -0.13725334491813D-17
|
|
2 1 1 1 0.34710718502949D-07 -0.58153394243962D-18
|
|
3 1 1 1 -0.34349436970001D-09 -0.41610739802235D-17
|
|
1 2 1 1 -0.33408072799170D-09 0.11980633968569D-16
|
|
2 2 1 1 0.36031872121286D+00 0.32334254322813D-17
|
|
3 2 1 1 -0.82241791833065D-08 -0.81757888888931D-16
|
|
1 1 2 1 0.34710718502381D-07 -0.11531895335372D-17
|
|
2 1 2 1 -0.24332020218521D+00 -0.85465458941836D-18
|
|
3 1 2 1 0.59393769596159D-08 -0.47153603834813D-18
|
|
1 2 2 1 -0.58726540534940D-02 -0.57809594806363D-16
|
|
2 2 2 1 -0.28730697314590D-09 0.13069308466305D-16
|
|
3 2 2 1 0.24629161986808D-09 -0.30201800175654D-16
|
|
1 1 3 1 -0.34349436701096D-09 0.16618154072590D-17
|
|
2 1 3 1 0.59393769623092D-08 0.15513852306173D-17
|
|
3 1 3 1 -0.17193824581380D+00 -0.34270519293075D-17
|
|
1 2 3 1 0.82384918514644D-08 0.27475105605526D-16
|
|
2 2 3 1 -0.23543822438734D-09 0.21430776328901D-17
|
|
3 2 3 1 -0.53953683593760D-11 -0.28353860096316D-16
|
|
1 1 1 2 -0.33408073151232D-09 -0.17401644830997D-16
|
|
2 1 1 2 -0.58726540534940D-02 0.59220338726568D-16
|
|
3 1 1 2 0.82384918380868D-08 -0.30581559487196D-16
|
|
1 2 1 2 -0.22910859218440D+01 0.18725123272837D-17
|
|
2 2 1 2 -0.34030416910068D-07 0.79237895244697D-16
|
|
3 2 1 2 0.33390136358299D-09 -0.73804380425425D-16
|
|
1 1 2 2 0.36031872121286D+00 0.69301058056947D-18
|
|
2 1 2 2 -0.28730697782483D-09 -0.78651380383743D-17
|
|
3 1 2 2 -0.23543820858045D-09 0.15418799185543D-17
|
|
1 2 2 2 -0.34030416963693D-07 -0.72299001340790D-16
|
|
2 2 2 2 -0.21014264182166D+01 -0.14740995444767D-17
|
|
3 2 2 2 -0.59491246799888D-08 0.19858945732220D-16
|
|
1 1 3 2 -0.82241791789366D-08 0.82639927546175D-16
|
|
2 1 3 2 0.24629161428437D-09 0.33026510504935D-16
|
|
3 1 3 2 -0.53953842650661D-11 0.39629562690165D-16
|
|
1 2 3 2 0.33390136198766D-09 0.74717113743795D-16
|
|
2 2 3 2 -0.59491247393425D-08 -0.17186818560447D-16
|
|
3 2 3 2 -0.22566147927905D+01 -0.53794925995320D-17
|
|
Band: 3
|
|
1 1 1 1 -0.15804347553420D+01 -0.16004707804295D-16
|
|
2 1 1 1 -0.17708290141151D-06 0.16404570544589D-17
|
|
3 1 1 1 0.36504610656379D-09 -0.17708415649320D-16
|
|
1 2 1 1 -0.34306433844062D-09 -0.18546792343142D-16
|
|
2 2 1 1 0.73791481525260D+00 0.11447401087476D-15
|
|
3 2 1 1 0.88589392977588D-08 0.40391952523472D-16
|
|
1 1 2 1 -0.17708290149367D-06 -0.36334926573995D-16
|
|
2 1 2 1 -0.56076100275422D+01 -0.65075605734915D-17
|
|
3 1 2 1 -0.53946444302673D-07 -0.99839119250081D-16
|
|
1 2 2 1 -0.42554025119745D+00 -0.69394360930779D-16
|
|
2 2 2 1 -0.68328617987633D-09 -0.15851800270695D-15
|
|
3 2 2 1 -0.22125734405013D-08 -0.67923979401085D-16
|
|
1 1 3 1 0.36504608721617D-09 0.31425048873173D-16
|
|
2 1 3 1 -0.53946444375321D-07 0.98403630945635D-16
|
|
3 1 3 1 -0.33080727171794D+01 0.38816254677197D-17
|
|
1 2 3 1 -0.88482187456716D-08 0.18955726319435D-16
|
|
2 2 3 1 0.22292860644792D-08 -0.19370715735126D-15
|
|
3 2 3 1 -0.11499756951279D-10 0.94266831663874D-16
|
|
1 1 1 2 -0.34306431376736D-09 -0.22219209342313D-16
|
|
2 1 1 2 -0.42554025119745D+00 0.79979570579192D-16
|
|
3 1 1 2 -0.88482187100403D-08 -0.36912467704771D-16
|
|
1 2 1 2 -0.64501416580779D+00 0.76646969149470D-18
|
|
2 2 1 2 0.17821175037690D-06 0.44121581618235D-16
|
|
3 2 1 2 -0.36665656678437D-09 -0.33707454100497D-17
|
|
1 1 2 2 0.73791481525260D+00 -0.92264791694908D-16
|
|
2 1 2 2 -0.68328616417157D-09 0.13076242709132D-15
|
|
3 1 2 2 0.22292860783851D-08 0.20071777836083D-15
|
|
1 2 2 2 0.17821175036299D-06 -0.26774346858467D-16
|
|
2 2 2 2 -0.13438907239036D+01 -0.56149979509610D-17
|
|
3 2 2 2 0.53944680944210D-07 0.50724287977501D-16
|
|
1 1 3 2 0.88589393247711D-08 -0.45174979232438D-16
|
|
2 1 3 2 -0.22125735808694D-08 0.39406963352086D-16
|
|
3 1 3 2 -0.11499716342886D-10 -0.76919596904106D-16
|
|
1 2 3 2 -0.36665657402321D-09 -0.71957379710918D-18
|
|
2 2 3 2 0.53944680940632D-07 -0.29600669732554D-16
|
|
3 2 3 2 -0.64908998877951D+00 0.20818554810520D-17
|
|
Band: 4
|
|
1 1 1 1 -0.64501416580885D+00 -0.11789692774155D-16
|
|
2 1 1 1 0.17821462129131D-06 0.48747047129844D-16
|
|
3 1 1 1 -0.36665239259939D-09 0.16293586684617D-16
|
|
1 2 1 1 -0.34018779149029D-09 0.42394493837106D-16
|
|
2 2 1 1 -0.42554025119406D+00 -0.35506955407573D-16
|
|
3 2 1 1 -0.88461263067964D-08 0.72981348421198D-16
|
|
1 1 2 1 0.17821462128255D-06 -0.31399812370076D-16
|
|
2 1 2 1 -0.13438907240074D+01 -0.55622734587169D-17
|
|
3 1 2 1 0.53934636687406D-07 -0.17687421678656D-16
|
|
1 2 2 1 0.73791481527894D+00 0.36966584892347D-16
|
|
2 2 2 1 -0.65319336256308D-09 0.50863826197938D-16
|
|
3 2 2 1 0.22293317392326D-08 -0.51421678228750D-16
|
|
1 1 3 1 -0.36665235107949D-09 -0.41297241370474D-17
|
|
2 1 3 1 0.53934636702175D-07 0.24852367293566D-16
|
|
3 1 3 1 -0.64908998879037D+00 -0.14154574021303D-17
|
|
1 2 3 1 0.88610325605103D-08 -0.59845636908849D-16
|
|
2 2 3 1 -0.22125843603901D-08 -0.11132855652984D-15
|
|
3 2 3 1 0.10135754819466D-11 -0.12691901858808D-15
|
|
1 1 1 2 -0.34018784035934D-09 -0.38057685147164D-16
|
|
2 1 1 2 0.73791481527894D+00 -0.36118140361378D-16
|
|
3 1 1 2 0.88610325579073D-08 0.69813981623770D-16
|
|
1 2 1 2 -0.15804347553910D+01 -0.14111571796389D-16
|
|
2 2 1 2 -0.17708003681426D-06 -0.89943856492174D-16
|
|
3 2 1 2 0.36493740765196D-09 -0.51955368765310D-16
|
|
1 1 2 2 -0.42554025119406D+00 0.27315683224590D-16
|
|
2 1 2 2 -0.65319337592225D-09 -0.92304627744949D-17
|
|
3 1 2 2 -0.22125842581523D-08 0.10308425581404D-15
|
|
1 2 2 2 -0.17708003690684D-06 0.96882750396081D-16
|
|
2 2 2 2 -0.56076100276699D+01 -0.18126680433532D-16
|
|
3 2 2 2 -0.53956047770283D-07 0.29606820021441D-16
|
|
1 1 3 2 -0.88461262950055D-08 -0.61008496921414D-16
|
|
2 1 3 2 0.22293317375498D-08 0.49162201815324D-16
|
|
3 1 3 2 0.10135396649624D-11 0.95693996020494D-16
|
|
1 2 3 2 0.36493744067153D-09 0.36274024758369D-16
|
|
2 2 3 2 -0.53956047740873D-07 -0.64007717926565D-17
|
|
3 2 3 2 -0.33080727172658D+01 -0.48945613775428D-17
|
|
Band: 5
|
|
1 1 1 1 -0.87846691541394D+00 -0.89623629706691D-17
|
|
2 1 1 1 -0.25332000479103D-07 0.32975030071777D-16
|
|
3 1 1 1 0.83362205713888D-03 0.10869951837443D-15
|
|
1 2 1 1 -0.23967918180477D-09 -0.41603652301105D-16
|
|
2 2 1 1 0.13779353761053D+00 0.16589412387563D-16
|
|
3 2 1 1 0.49506608273538D-08 -0.15304037585378D-15
|
|
1 1 2 1 -0.25332000516939D-07 -0.29505583119823D-16
|
|
2 1 2 1 -0.97465065784820D+00 -0.47657448509426D-17
|
|
3 1 2 1 -0.47329786478500D-08 0.37141547931928D-16
|
|
1 2 2 1 0.33309304456546D+00 -0.25396100176460D-16
|
|
2 2 2 1 -0.23510405051243D-09 0.19948141373203D-16
|
|
3 2 2 1 -0.83460334789123D-04 0.13762790878162D-16
|
|
1 1 3 1 0.83362205713886D-03 -0.12906112201927D-15
|
|
2 1 3 1 -0.47329786688761D-08 -0.49240566550509D-16
|
|
3 1 3 1 0.12278364930146D+01 0.16300405020948D-16
|
|
1 2 3 1 -0.48576121301875D-08 0.89058764182327D-16
|
|
2 2 3 1 0.25722730734415D-03 0.18616709712128D-16
|
|
3 2 3 1 0.21442090263212D-10 -0.11062697536440D-15
|
|
1 1 1 2 -0.23967923795142D-09 0.48542546205012D-16
|
|
2 1 1 2 0.33309304456546D+00 0.27509877513778D-16
|
|
3 1 1 2 -0.48576121107494D-08 -0.96400845769127D-16
|
|
1 2 1 2 -0.25306951248751D+00 -0.11026979309822D-17
|
|
2 2 1 2 0.25818291709287D-07 -0.86771969392019D-17
|
|
3 2 1 2 -0.35747150914962D-03 -0.32676179517666D-17
|
|
1 1 2 2 0.13779353761053D+00 -0.38463004274640D-16
|
|
2 1 2 2 -0.23510407733384D-09 0.25154669002194D-16
|
|
3 1 2 2 0.25722730734412D-03 -0.16425239952764D-16
|
|
1 2 2 2 0.25818291686246D-07 -0.86700378205662D-17
|
|
2 2 2 2 -0.18569135759814D+00 0.52306517880607D-17
|
|
3 2 2 2 0.46513692101451D-08 0.20167589415311D-16
|
|
1 1 3 2 0.49506608303897D-08 0.15889612637639D-15
|
|
2 1 3 2 -0.83460334789131D-04 -0.93186067000849D-17
|
|
3 1 3 2 0.21442115450479D-10 0.55549505002137D-16
|
|
1 2 3 2 -0.35747150914962D-03 0.33900430605687D-17
|
|
2 2 3 2 0.46513692114292D-08 -0.21967110911753D-16
|
|
3 2 3 2 0.55038609198896D-01 0.65354941784340D-18
|
|
Band: 6
|
|
1 1 1 1 -0.25306764884186D+00 -0.20059444183044D-17
|
|
2 1 1 1 0.25818068116855D-07 0.85287731332448D-17
|
|
3 1 1 1 0.72620667121414D-03 -0.11486768030147D-16
|
|
1 2 1 1 -0.23865233583488D-09 0.31187241130418D-16
|
|
2 2 1 1 0.33309333005803D+00 -0.26256690155168D-16
|
|
3 2 1 1 -0.50313044750485D-08 -0.35155389442372D-16
|
|
1 1 2 1 0.25818068124108D-07 -0.22406560941059D-16
|
|
2 1 2 1 -0.18569144861403D+00 0.16969775702648D-18
|
|
3 1 2 1 0.47063133772983D-08 0.14350013134866D-15
|
|
1 2 2 1 0.13779343552232D+00 0.77784224495177D-17
|
|
2 2 2 1 -0.23448801901104D-09 -0.12978201393403D-16
|
|
3 2 2 1 -0.12630483759242D-03 -0.41093843980175D-16
|
|
1 1 3 1 0.72620667121414D-03 0.14476995235446D-16
|
|
2 1 3 1 0.47063133774787D-08 -0.13410563599110D-15
|
|
3 1 3 1 0.55038257942699D-01 0.57401881953039D-18
|
|
1 2 3 1 0.48774454401932D-08 0.16700792350962D-15
|
|
2 2 3 1 0.21758479668976D-03 0.58120067029040D-17
|
|
3 2 3 1 -0.46506833569885D-10 0.42675548546415D-16
|
|
1 1 1 2 -0.23865231966668D-09 -0.38126135034326D-16
|
|
2 1 1 2 0.13779343552232D+00 0.29237547843970D-18
|
|
3 1 1 2 0.48774454310112D-08 -0.15921691446077D-15
|
|
1 2 1 2 -0.87846687249040D+00 0.13726698305848D-17
|
|
2 2 1 2 -0.25331887051096D-07 -0.86723981447497D-17
|
|
3 2 1 2 -0.47608360506885D-03 0.12161051703946D-15
|
|
1 1 2 2 0.33309333005803D+00 0.34417989913944D-16
|
|
2 1 2 2 -0.23448800151279D-09 0.12978201393403D-16
|
|
3 1 2 2 0.21758479668976D-03 -0.37356218066825D-17
|
|
1 2 2 2 -0.25331887158740D-07 -0.52053896630648D-17
|
|
2 2 2 2 -0.97465055782136D+00 0.30352002914204D-17
|
|
3 2 2 2 -0.46038052019873D-08 0.49614272715174D-16
|
|
1 1 3 2 -0.50313044873334D-08 0.46634379943562D-16
|
|
2 1 3 2 -0.12630483759241D-03 0.47279678548076D-16
|
|
3 1 3 2 -0.46506810311155D-10 0.12299054340937D-15
|
|
1 2 3 2 -0.47608360506885D-03 -0.93219067214242D-16
|
|
2 2 3 2 -0.46038052180620D-08 -0.61120368270677D-16
|
|
3 2 3 2 0.12278361678916D+01 0.10688410562791D-16
|
|
Band: 7
|
|
1 1 1 1 0.46418196177601D+01 0.36727083895150D-17
|
|
2 1 1 1 0.10987072106855D-06 0.96658127573464D-16
|
|
3 1 1 1 -0.11789201829665D-02 -0.43991070447793D-17
|
|
1 2 1 1 0.15323398279032D-09 0.10537229562837D-16
|
|
2 2 1 1 0.10063553320787D+01 0.34312602712124D-16
|
|
3 2 1 1 -0.38545979744096D-07 -0.51453278718027D-17
|
|
1 1 2 1 0.10987072104955D-06 -0.66300466743869D-16
|
|
2 1 2 1 -0.61256301647754D+00 0.18841507585024D-17
|
|
3 1 2 1 0.10243125315513D-07 0.34089072391526D-16
|
|
1 2 2 1 0.43300004143762D-01 0.45753656901063D-16
|
|
2 2 2 1 -0.30767117564123D-09 0.43148266423216D-16
|
|
3 2 2 1 0.17636880775226D-03 -0.94326127491955D-17
|
|
1 1 3 1 -0.11789201829665D-02 0.47807468278117D-17
|
|
2 1 3 1 0.10243125284418D-07 -0.39407592267336D-16
|
|
3 1 3 1 -0.70802351469948D+00 -0.44531222781859D-17
|
|
1 2 3 1 0.38710027789545D-07 -0.39760183424743D-18
|
|
2 2 3 1 -0.35670214611590D-03 -0.50358261480180D-17
|
|
3 2 3 1 0.51192069048757D-10 -0.13835374815268D-16
|
|
1 1 1 2 0.15323400857275D-09 -0.24415017370651D-16
|
|
2 1 1 2 0.43300004143762D-01 -0.31231880448645D-16
|
|
3 1 1 2 0.38710027800059D-07 -0.10067490229079D-16
|
|
1 2 1 2 0.24359767348354D+00 -0.39413357070319D-18
|
|
2 2 1 2 -0.10982567162420D-06 0.89976681064892D-16
|
|
3 2 1 2 0.68477571273860D-03 -0.17619080963446D-16
|
|
1 1 2 2 0.10063553320787D+01 -0.26511078543332D-16
|
|
2 1 2 2 -0.30767117927530D-09 -0.57351314882776D-16
|
|
3 1 2 2 -0.35670214611591D-03 0.21447977867199D-16
|
|
1 2 2 2 -0.10982567161940D-06 -0.88241957588915D-16
|
|
2 2 2 2 -0.51930576107218D+00 -0.20837586220162D-16
|
|
3 2 2 2 -0.10373139106208D-07 0.10615383488580D-16
|
|
1 1 3 2 -0.38545979755118D-07 0.11406595417906D-16
|
|
2 1 3 2 0.17636880775226D-03 0.64266204119995D-17
|
|
3 1 3 2 0.51192063463329D-10 0.20774268719176D-16
|
|
1 2 3 2 0.68477571273858D-03 0.17386172338755D-16
|
|
2 2 3 2 -0.10373139098602D-07 -0.10540755799736D-17
|
|
3 2 3 2 -0.14301715062145D+00 -0.35349045261725D-17
|
|
Band: 8
|
|
1 1 1 1 0.24359778697386D+00 -0.56945973345118D-17
|
|
2 1 1 1 -0.10981963535719D-06 -0.45821063445077D-16
|
|
3 1 1 1 -0.38090855941092D-03 0.28582276325162D-16
|
|
1 2 1 1 0.22616675179995D-09 0.22690246176213D-16
|
|
2 2 1 1 0.43299908830876D-01 -0.24497610710238D-16
|
|
3 2 1 1 0.38625679020710D-07 0.28933879112531D-16
|
|
1 1 2 1 -0.10981963535257D-06 0.47555786921054D-16
|
|
2 1 2 1 -0.51930566073755D+00 -0.96989044404211D-17
|
|
3 1 2 1 -0.10243952627364D-07 -0.64366279197000D-16
|
|
1 2 2 1 0.10063556243899D+01 -0.62216102694035D-16
|
|
2 2 2 1 -0.31644522975291D-09 -0.12832489631770D-16
|
|
3 2 2 1 0.33396389034736D-04 0.26842389265693D-16
|
|
1 1 3 1 -0.38090855941092D-03 -0.30080402571301D-16
|
|
2 1 3 1 -0.10243952630576D-07 0.49119686146423D-16
|
|
3 1 3 1 -0.14301750056922D+00 0.19547733195518D-18
|
|
1 2 3 1 -0.38730009106439D-07 0.25976160728859D-16
|
|
2 2 3 1 -0.11810993398055D-03 0.80938114787828D-17
|
|
3 2 3 1 -0.28669424738749D-10 0.86485365294746D-17
|
|
1 1 1 2 0.22616677699318D-09 -0.40037480935981D-16
|
|
2 1 1 2 0.10063556243899D+01 0.71441337045928D-16
|
|
3 1 1 2 -0.38730009085259D-07 -0.35313851939390D-16
|
|
1 2 1 2 0.46418215519289D+01 -0.30925966997643D-18
|
|
2 2 1 2 0.10987578858555D-06 0.47828721509273D-16
|
|
3 2 1 2 0.14877938677212D-03 -0.11443273679712D-15
|
|
1 1 2 2 0.43299908830876D-01 0.39347701455030D-16
|
|
2 1 2 2 -0.31644523348966D-09 0.13916691804255D-16
|
|
3 1 2 2 -0.11810993398058D-03 0.49102047005289D-18
|
|
1 2 2 2 0.10987578851992D-06 -0.54767615413181D-16
|
|
2 2 2 2 -0.61256310715811D+00 -0.11116207282498D-17
|
|
3 2 2 2 0.10298735713574D-07 -0.28339703807991D-16
|
|
1 1 3 2 0.38625678985391D-07 -0.40523830929812D-16
|
|
2 1 3 2 0.33396389034739D-04 -0.23601810006042D-16
|
|
3 1 3 2 -0.28669414811597D-10 -0.17096426255673D-17
|
|
1 2 3 2 0.14877938677210D-03 0.11418460132832D-15
|
|
2 2 3 2 0.10298735672008D-07 0.30987634680227D-16
|
|
3 2 3 2 -0.70802389096656D+00 0.11177215988577D-17
|
|
K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.20918281851675D+01 -0.17218603650872D-17
|
|
2 1 1 1 -0.34648648834187D-07 0.30095811955824D-16
|
|
3 1 1 1 -0.63515994975535D-08 -0.31634128565404D-16
|
|
1 2 1 1 -0.28770748293389D-09 0.85862067566614D-17
|
|
2 2 1 1 0.35842712124415D+00 0.25906166409183D-16
|
|
3 2 1 1 -0.25177908357690D-09 0.99623104656649D-18
|
|
1 1 2 1 -0.34648648849786D-07 -0.28708217654298D-16
|
|
2 1 2 1 -0.22806878262507D+01 -0.50238235476979D-18
|
|
3 1 2 1 0.35619288415345D-09 0.17888696454415D-16
|
|
1 2 2 1 -0.39810541318584D-02 -0.45499648744936D-16
|
|
2 2 2 1 -0.33665854642215D-09 0.63627713780387D-16
|
|
3 2 2 1 0.87942185434045D-08 -0.53121360983676D-16
|
|
1 1 3 1 -0.63515994964740D-08 0.35841240361564D-16
|
|
2 1 3 1 0.35619286789072D-09 -0.25521785143795D-16
|
|
3 1 3 1 -0.22458461840617D+01 0.14580219709526D-17
|
|
1 2 3 1 0.26321187571509D-09 -0.77576082230261D-17
|
|
2 2 3 1 -0.87847937025838D-08 -0.23996199696272D-16
|
|
3 2 3 1 -0.45497618915304D-11 0.16297693577138D-16
|
|
1 1 1 2 -0.28770748033181D-09 -0.18039437628150D-17
|
|
2 1 1 2 -0.39810541318584D-02 0.38377753124621D-16
|
|
3 1 1 2 0.26321187459145D-09 0.99432227327256D-17
|
|
1 2 1 2 -0.25291843497098D+00 -0.11652402299167D-17
|
|
2 2 1 2 0.35328365061631D-07 0.16392480943489D-16
|
|
3 2 1 2 0.63433795763273D-08 0.13645110940006D-17
|
|
1 1 2 2 0.35842712124415D+00 -0.26870599478728D-16
|
|
2 1 2 2 -0.33665854956634D-09 -0.38991008570182D-16
|
|
3 1 2 2 -0.87847937206137D-08 0.24552926452581D-16
|
|
1 2 2 2 0.35328365063582D-07 -0.17365177724885D-16
|
|
2 2 2 2 -0.28853358020637D+00 -0.23195346372815D-18
|
|
3 2 2 2 -0.36679564602023D-09 0.90687795034847D-17
|
|
1 1 3 2 -0.25177906152605D-09 -0.33544237855987D-17
|
|
2 1 3 2 0.87942185438867D-08 0.43550146005366D-16
|
|
3 1 3 2 -0.45497159213583D-11 -0.10909138359564D-16
|
|
1 2 3 2 0.63433795749037D-08 -0.70332184860443D-17
|
|
2 2 3 2 -0.36679564857291D-09 -0.47092074105460D-17
|
|
3 2 3 2 -0.18270685459221D+00 -0.16141154018683D-17
|
|
Band: 2
|
|
1 1 1 1 -0.25291843498514D+00 -0.68563884280694D-18
|
|
2 1 1 1 0.35328751503762D-07 0.23129599591396D-16
|
|
3 1 1 1 0.63429900680824D-08 -0.37309808256154D-17
|
|
1 2 1 1 -0.28832865732076D-09 -0.47838698901756D-17
|
|
2 2 1 1 -0.39810541225435D-02 0.28058841746653D-17
|
|
3 2 1 1 0.26320808412191D-09 -0.97110994857106D-17
|
|
1 1 2 1 0.35328751503546D-07 -0.19601745085391D-16
|
|
2 1 2 1 -0.28853358021538D+00 0.75226320051622D-18
|
|
3 1 2 1 -0.36679910833841D-09 -0.15019988877506D-16
|
|
1 2 2 1 0.35842712124735D+00 0.10787499563161D-16
|
|
2 2 2 1 -0.33281045177991D-09 -0.51763250728684D-16
|
|
3 2 2 1 -0.87826320868054D-08 0.61565969970361D-17
|
|
1 1 3 1 0.63429900747017D-08 0.83632428444643D-17
|
|
2 1 3 1 -0.36679911279507D-09 0.15301439672329D-16
|
|
3 1 3 1 -0.18270685459930D+00 -0.68359469695197D-18
|
|
1 2 3 1 -0.25177646252288D-09 -0.49405825534632D-18
|
|
2 2 3 1 0.87963786427806D-08 -0.41635923947457D-16
|
|
3 2 3 1 -0.53854709596409D-11 -0.88698487596664D-17
|
|
1 1 1 2 -0.28832865124923D-09 0.72290374628709D-17
|
|
2 1 1 2 0.35842712124735D+00 -0.64630138287060D-17
|
|
3 1 1 2 -0.25177648039938D-09 -0.10850781817932D-16
|
|
1 2 1 2 -0.20918281851379D+01 0.15149587124451D-17
|
|
2 2 1 2 -0.34648260794493D-07 0.73914043174896D-16
|
|
3 2 1 2 -0.63519729691435D-08 0.74504028386828D-17
|
|
1 1 2 2 -0.39810541225435D-02 -0.16783912980266D-17
|
|
2 1 2 2 -0.33281045253885D-09 0.67598788944900D-16
|
|
3 1 2 2 0.87963786176844D-08 0.45154729758241D-16
|
|
1 2 2 2 -0.34648260788774D-07 -0.71875087539519D-16
|
|
2 2 2 2 -0.22806878262605D+01 -0.97448514283162D-18
|
|
3 2 2 2 0.35621421854796D-09 0.61486503991379D-16
|
|
1 1 3 2 0.26320809451921D-09 0.10022214108211D-16
|
|
2 1 3 2 -0.87826320743156D-08 -0.56150094428996D-17
|
|
3 1 3 2 -0.53854267241922D-11 0.31850891357383D-17
|
|
1 2 3 2 -0.63519728857711D-08 -0.45434532093303D-17
|
|
2 2 3 2 0.35621418327183D-09 -0.65681477055662D-16
|
|
3 2 3 2 -0.22458461840334D+01 -0.26330002621788D-17
|
|
Band: 3
|
|
1 1 1 1 -0.55731082572030D+01 -0.72862959059042D-18
|
|
2 1 1 1 -0.17543311385427D-06 0.14938955783627D-15
|
|
3 1 1 1 -0.55540107098036D-07 -0.66974409765273D-16
|
|
1 2 1 1 -0.68453104740153D-09 0.13130711820764D-15
|
|
2 2 1 1 -0.41612562384816D+00 0.12138413345591D-15
|
|
3 2 1 1 -0.22774940237616D-08 0.23817949852268D-19
|
|
1 1 2 1 -0.17543311391022D-06 -0.11340752194684D-15
|
|
2 1 2 1 -0.15728653844294D+01 0.24155394422223D-17
|
|
3 1 2 1 0.37496549496513D-09 -0.75594856082130D-16
|
|
1 2 2 1 0.72850018798312D+00 -0.37287579935916D-16
|
|
2 2 2 1 -0.34150083590083D-09 0.44008035479321D-16
|
|
3 2 2 1 0.91109616946898D-08 0.12066284195396D-16
|
|
1 1 3 1 -0.55540107070312D-07 0.72832354931369D-16
|
|
2 1 3 1 0.37496548799961D-09 0.92213495165713D-16
|
|
3 1 3 1 -0.32865563668292D+01 0.68275628380831D-17
|
|
1 2 3 1 0.22953764086851D-08 -0.12141273921573D-15
|
|
2 2 3 1 -0.91011461631938D-08 -0.24407955635522D-16
|
|
3 2 3 1 -0.11146438351760D-10 -0.54860289988602D-16
|
|
1 1 1 2 -0.68453101617651D-09 0.58357851409073D-17
|
|
2 1 1 2 0.72850018798312D+00 0.47518339176332D-16
|
|
3 1 1 2 0.22953764150183D-08 0.13772784794076D-15
|
|
1 2 1 2 -0.13783924942860D+01 -0.22146886984790D-16
|
|
2 2 1 2 0.17655901770617D-06 0.19837964862539D-16
|
|
3 2 1 2 0.55540934255233D-07 -0.19860399784741D-16
|
|
1 1 2 2 -0.41612562384816D+00 -0.10701504596257D-15
|
|
2 1 2 2 -0.34150089661615D-09 -0.13003776902051D-17
|
|
3 1 2 2 -0.91011461484000D-08 0.26561223772748D-16
|
|
1 2 2 2 0.17655901772699D-06 -0.25814421137965D-16
|
|
2 2 2 2 -0.65258353713902D+00 -0.15049152482987D-16
|
|
3 2 2 2 -0.37766071208202D-09 0.29115603116846D-16
|
|
1 1 3 2 -0.22774939587094D-08 -0.12835270488503D-16
|
|
2 1 3 2 0.91109616530242D-08 -0.27597748991852D-16
|
|
3 1 3 2 -0.11146447025377D-10 0.62598246496611D-16
|
|
1 2 3 2 0.55540934261709D-07 0.28160562154209D-16
|
|
2 2 3 2 -0.37766075513179D-09 -0.24020043631072D-16
|
|
3 2 3 2 -0.67060633905752D+00 -0.20202526447434D-16
|
|
Band: 4
|
|
1 1 1 1 -0.13783924944044D+01 -0.16806502657439D-16
|
|
2 1 1 1 0.17656237045286D-06 0.20650184749237D-16
|
|
3 1 1 1 0.55530766004460D-07 0.66894116081114D-16
|
|
1 2 1 1 -0.65748630091169D-09 -0.51642310749585D-16
|
|
2 2 1 1 0.72850018800748D+00 -0.50063763519897D-16
|
|
3 2 1 1 0.22955811130087D-08 0.12250385119903D-15
|
|
1 1 2 1 0.17656237044071D-06 -0.76592673319313D-16
|
|
2 1 2 1 -0.65258353714334D+00 -0.10268737790675D-16
|
|
3 1 2 1 -0.37766898912574D-09 -0.15308239618587D-17
|
|
1 2 2 1 -0.41612562384936D+00 0.40284987885220D-16
|
|
2 2 2 1 -0.33906872702230D-09 0.31448454751183D-16
|
|
3 2 2 1 -0.90989486099542D-08 0.59661866050857D-16
|
|
1 1 3 1 0.55530766002004D-07 -0.53392807820758D-16
|
|
2 1 3 1 -0.37766896451343D-09 0.51493821584139D-17
|
|
3 1 3 1 -0.67060633907422D+00 -0.25446131961435D-17
|
|
1 2 3 1 -0.22776631580285D-08 0.21365305989076D-16
|
|
2 2 3 1 0.91131708502101D-08 0.38657811765421D-17
|
|
3 2 3 1 0.67333244257308D-12 0.15357806282248D-15
|
|
1 1 1 2 -0.65748631478948D-09 0.12979486990589D-15
|
|
2 1 1 2 -0.41612562384936D+00 -0.19031246581895D-16
|
|
3 1 1 2 -0.22776630786712D-08 -0.18454857600089D-16
|
|
1 2 1 2 -0.55731082573432D+01 -0.32423710362556D-17
|
|
2 2 1 2 -0.17542928978180D-06 0.29239725261931D-16
|
|
3 2 1 2 -0.55550060548827D-07 0.17258719143553D-15
|
|
1 1 2 2 0.72850018800748D+00 0.38458589924984D-16
|
|
2 1 2 2 -0.33906877299247D-09 0.14601166168620D-16
|
|
3 1 2 2 0.91131708546141D-08 -0.32864446633261D-17
|
|
1 2 2 2 -0.17542928969333D-06 -0.74128073292747D-16
|
|
2 2 2 2 -0.15728653844785D+01 -0.92497552939721D-17
|
|
3 2 2 2 0.37476081382526D-09 -0.88144906893533D-16
|
|
1 1 3 2 0.22955811392610D-08 -0.16395354699982D-15
|
|
2 1 3 2 -0.90989486027979D-08 -0.55546268794250D-16
|
|
3 1 3 2 0.67331509533833D-12 -0.15645579076646D-15
|
|
1 2 3 2 -0.55550060522063D-07 -0.13594189490924D-15
|
|
2 2 3 2 0.37476076353521D-09 0.10802896902485D-15
|
|
3 2 3 2 -0.32865563669078D+01 -0.88413139802136D-17
|
|
Band: 5
|
|
1 1 1 1 -0.96805094208659D+00 -0.48437742844649D-17
|
|
2 1 1 1 -0.25310638650843D-07 -0.63300877794076D-17
|
|
3 1 1 1 -0.50043230810205D-08 -0.45152609847649D-16
|
|
1 2 1 1 -0.23612298339879D-09 0.34228694756190D-16
|
|
2 2 1 1 0.33145933224189D+00 0.45823309891672D-16
|
|
3 2 1 1 -0.10232291555004D-03 -0.18979153143372D-16
|
|
1 1 2 1 -0.25310638525075D-07 0.12032149015941D-16
|
|
2 1 2 1 -0.87323174240818D+00 -0.14003083957125D-16
|
|
3 1 2 1 0.32066878880782D-02 0.24773878666222D-16
|
|
1 2 2 1 0.13942773243547D+00 -0.33138432946380D-16
|
|
2 2 2 1 -0.23878739696642D-09 0.12269725416722D-16
|
|
3 2 2 1 0.51932151356659D-08 0.14916056385279D-16
|
|
1 1 3 1 -0.50043230781634D-08 0.34324034861467D-16
|
|
2 1 3 1 0.32066878880781D-02 -0.13727555595604D-16
|
|
3 1 3 1 0.12180248728334D+01 0.14991630343190D-16
|
|
1 2 3 1 0.10159878636946D-02 0.55258943319457D-16
|
|
2 2 3 1 -0.50082813357496D-08 0.70506534457708D-16
|
|
3 2 3 1 0.55861600371138D-10 0.90566420232821D-16
|
|
1 1 1 2 -0.23612297819462D-09 -0.61204434494248D-17
|
|
2 1 1 2 0.13942773243547D+00 0.41200565226843D-16
|
|
3 1 1 2 0.10159878636946D-02 -0.51423383229858D-16
|
|
1 2 1 2 -0.19229104925168D+00 -0.35868592428461D-17
|
|
2 2 1 2 0.25796985296341D-07 0.19267230654852D-16
|
|
3 2 1 2 0.48596391822198D-08 -0.70688861992486D-16
|
|
1 1 2 2 0.33145933224189D+00 -0.48989375952725D-16
|
|
2 1 2 2 -0.23878727553578D-09 -0.16442914204845D-16
|
|
3 1 2 2 -0.50082813403744D-08 -0.66342051878098D-16
|
|
1 2 2 2 0.25796985327566D-07 -0.27707689759830D-16
|
|
2 2 2 2 -0.25829966969546D+00 -0.35767839503406D-17
|
|
3 2 2 2 -0.70309209438221D-03 0.29489383770622D-17
|
|
1 1 3 2 -0.10232291555004D-03 0.18298333461276D-16
|
|
2 1 3 2 0.51932151384578D-08 -0.19371756514734D-16
|
|
3 1 3 2 0.55861619019415D-10 0.13150803967469D-15
|
|
1 2 3 2 0.48596391794720D-08 0.79113316750389D-16
|
|
2 2 3 2 -0.70309209438221D-03 -0.33158560528668D-17
|
|
3 2 3 2 0.64848449990700D-01 0.32759270395205D-17
|
|
Band: 6
|
|
1 1 1 1 -0.19229479242308D+00 0.53559360466501D-17
|
|
2 1 1 1 0.25797654934465D-07 -0.40684354086430D-17
|
|
3 1 1 1 0.51007605132764D-08 0.71725706157517D-16
|
|
1 2 1 1 -0.23478837355468D-09 -0.17785406801619D-16
|
|
2 2 1 1 0.13942706618295D+00 -0.27519451600067D-16
|
|
3 2 1 1 -0.16771020756666D-02 -0.58708235458879D-17
|
|
1 1 2 1 0.25797654976098D-07 -0.13472705325464D-16
|
|
2 1 2 1 -0.25824666347469D+00 -0.91473232698224D-17
|
|
3 1 2 1 0.37536668628772D-02 -0.15647299518432D-16
|
|
1 2 2 1 0.33146652137464D+00 0.61805049865628D-17
|
|
2 2 2 1 -0.23672050890947D-09 -0.46196741544924D-16
|
|
3 2 2 1 -0.56859037436759D-08 0.11601025521551D-16
|
|
1 1 3 1 0.51007605198223D-08 -0.69610635930547D-16
|
|
2 1 3 1 0.37536668628772D-02 0.16321677696297D-16
|
|
3 1 3 1 0.64838735845100D-01 0.10587790219279D-17
|
|
1 2 3 1 0.10005062130713D-02 -0.67097565269668D-17
|
|
2 2 3 1 0.48488876264022D-08 0.29701695214369D-16
|
|
3 2 3 1 -0.26913217512866D-09 -0.31307372438453D-17
|
|
1 1 1 2 -0.23478835100328D-09 0.40054579591365D-16
|
|
2 1 1 2 0.33146652137464D+00 0.17422989037968D-16
|
|
3 1 1 2 0.10005062130713D-02 0.52545991083249D-17
|
|
1 2 1 2 -0.96804687802720D+00 0.38067050313037D-17
|
|
2 2 1 2 -0.25311635239753D-07 -0.15673472379518D-16
|
|
3 2 1 2 -0.45236664930999D-08 0.70022331971442D-16
|
|
1 1 2 2 0.13942706618295D+00 0.67246446796445D-17
|
|
2 1 2 2 -0.23672052972615D-09 0.66926008008637D-16
|
|
3 1 2 2 0.48488876309830D-08 -0.39811857345763D-16
|
|
1 2 2 2 -0.25311635325622D-07 0.47137952244910D-17
|
|
2 2 2 2 -0.87321693606855D+00 0.22686023869308D-17
|
|
3 2 2 2 -0.56076509034879D-02 -0.70551412564215D-16
|
|
1 1 3 2 -0.16771020756666D-02 -0.46967053237266D-17
|
|
2 1 3 2 -0.56859037274942D-08 -0.22969859207118D-16
|
|
3 1 3 2 -0.26913217469498D-09 -0.24924280908886D-16
|
|
1 2 3 2 -0.45236664946314D-08 -0.53571318846625D-16
|
|
2 2 3 2 -0.56076509034880D-02 0.49453665336428D-16
|
|
3 2 3 2 0.12180105369715D+01 -0.13339971930735D-16
|
|
Band: 7
|
|
1 1 1 1 -0.61127155663627D+00 0.50564897372683D-17
|
|
2 1 1 1 0.11198017970907D-06 -0.28964602530373D-15
|
|
3 1 1 1 0.10872180376359D-07 0.29963194409613D-16
|
|
1 2 1 1 -0.31036375929315D-09 0.20897478252349D-16
|
|
2 2 1 1 0.56600345110886D-01 0.33078489939867D-16
|
|
3 2 1 1 0.98481968309568D-03 0.45326140284188D-17
|
|
1 1 2 1 0.11198017990835D-06 0.27934851491999D-15
|
|
2 1 2 1 0.45810248059350D+01 -0.90050190204973D-19
|
|
3 1 2 1 -0.62084506414526D-02 -0.50780416038845D-17
|
|
1 2 2 1 0.99304806077019D+00 0.15689123871646D-15
|
|
2 2 2 1 0.17090495100430D-09 -0.33913849617378D-16
|
|
3 2 2 1 -0.41026733734208D-07 -0.10827765849276D-15
|
|
1 1 3 1 0.10872180381997D-07 -0.36207004411958D-16
|
|
2 1 3 1 -0.62084506414526D-02 -0.92372600727863D-17
|
|
3 1 3 1 -0.70021004581992D+00 -0.30646104396058D-17
|
|
1 2 3 1 -0.18716804118888D-02 -0.28358623411528D-16
|
|
2 2 3 1 0.41875585461934D-07 0.52383708356186D-17
|
|
3 2 3 1 0.27247267197024D-09 0.11782566202969D-16
|
|
1 1 1 2 -0.31036380396228D-09 0.14974682428385D-16
|
|
2 1 1 2 0.99304806077019D+00 -0.14943997590625D-15
|
|
3 1 1 2 -0.18716804118888D-02 0.18812746970839D-16
|
|
1 2 1 2 -0.52059756195545D+00 -0.14721895844423D-16
|
|
2 2 1 2 -0.11194153061658D-06 -0.99829616390892D-16
|
|
3 2 1 2 -0.11476720742455D-07 0.14601961215576D-16
|
|
1 1 2 2 0.56600345110886D-01 -0.34659510023142D-16
|
|
2 1 2 2 0.17090496770102D-09 0.19486403691095D-16
|
|
3 1 2 2 0.41875585461473D-07 -0.94594483347319D-17
|
|
1 2 2 2 -0.11194153063046D-06 0.14177525194587D-15
|
|
2 2 2 2 0.30432043547740D+00 0.51262727616948D-17
|
|
3 2 2 2 0.37782990628999D-02 -0.69470695337892D-17
|
|
1 1 3 2 0.98481968309569D-03 0.71060669177968D-19
|
|
2 1 3 2 -0.41026733746324D-07 0.11248926408452D-15
|
|
3 1 3 2 0.27247260691811D-09 -0.27073223880979D-16
|
|
1 2 3 2 -0.11476720738233D-07 -0.20700039577585D-16
|
|
2 2 3 2 0.37782990628999D-02 0.17737945880039D-16
|
|
3 2 3 2 -0.15080506683236D+00 0.24847407357271D-17
|
|
Band: 8
|
|
1 1 1 1 -0.52059349227188D+00 -0.33325187820740D-17
|
|
2 1 1 1 -0.11193367892446D-06 -0.54141344629637D-16
|
|
3 1 1 1 -0.10994881778546D-07 -0.12311720196474D-16
|
|
1 2 1 1 -0.31660612246284D-09 0.10928045644883D-16
|
|
2 2 1 1 0.99305536518484D+00 0.67867396750280D-16
|
|
3 2 1 1 0.79460533416196D-03 0.16415038527395D-16
|
|
1 1 2 1 -0.11193367893574D-06 -0.24259581261323D-16
|
|
2 1 2 1 0.30433644006516D+00 0.38737136919557D-17
|
|
3 1 2 1 -0.75190412258595D-03 0.19201155687268D-16
|
|
1 2 2 1 0.56599794113081D-01 -0.10501897820814D-15
|
|
2 2 2 1 0.20626069294489D-09 0.11000720637786D-15
|
|
3 2 2 1 0.41518213795672D-07 0.38203830176467D-16
|
|
1 1 3 1 -0.10994881780623D-07 0.14807538830207D-16
|
|
2 1 3 1 -0.75190412258595D-03 -0.98663018451781D-17
|
|
3 1 3 1 -0.15081982749232D+00 -0.29113832864478D-17
|
|
1 2 3 1 -0.14481363984056D-03 0.71392613847466D-17
|
|
2 2 3 1 -0.41717193156204D-07 0.60398514237180D-16
|
|
3 2 3 1 -0.61465150812669D-10 -0.18370979937769D-16
|
|
1 1 1 2 -0.31660614284584D-09 0.50245604004493D-16
|
|
2 1 1 2 0.56599794113081D-01 0.11790146673416D-15
|
|
3 1 1 2 -0.14481363984057D-03 -0.57917067011103D-17
|
|
1 2 1 2 -0.61127529414413D+00 0.49427879718086D-17
|
|
2 2 1 2 0.11198971985008D-06 0.23981180889848D-16
|
|
3 2 1 2 0.11114811294020D-07 -0.10867704834175D-17
|
|
1 1 2 2 0.99305536518484D+00 -0.60519170865890D-16
|
|
2 1 2 2 0.20626070205219D-09 -0.88920258012689D-16
|
|
3 1 2 2 -0.41717193145535D-07 -0.60585967207071D-16
|
|
1 2 2 2 0.11198971978806D-06 -0.48283800798305D-16
|
|
2 2 2 2 0.45810790103830D+01 0.37198312146510D-17
|
|
3 2 2 2 0.25324439204789D-02 -0.12458201938700D-15
|
|
1 1 3 2 0.79460533416194D-03 -0.60963053201119D-17
|
|
2 1 3 2 0.41518213808021D-07 -0.44524705013274D-16
|
|
3 1 3 2 -0.61465199384926D-10 0.99766222632141D-17
|
|
1 2 3 2 0.11114811281178D-07 0.11458195026604D-16
|
|
2 2 3 2 0.25324439204788D-02 0.14441867612054D-15
|
|
3 2 3 2 -0.70022018487516D+00 0.31838840031988D-17
|
|
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.35649979501157D+01 0.54430337190561D-17
|
|
2 1 1 1 0.11608844960343D-08 0.25395270823603D-15
|
|
3 1 1 1 -0.16282277566521D-06 0.60879555988462D-16
|
|
1 2 1 1 -0.74381479476849D-09 -0.15334070874611D-16
|
|
2 2 1 1 0.84811171632764D+00 0.80707172859406D-16
|
|
3 2 1 1 -0.10582776915357D-06 0.71083335125774D-16
|
|
1 1 2 1 0.11608844684260D-08 -0.25211041157575D-15
|
|
2 1 2 1 -0.35649979504451D+01 0.19371643503706D-17
|
|
3 1 2 1 -0.15712980458483D-06 -0.71174751762492D-16
|
|
1 2 2 1 0.84811171615273D+00 0.32750500213629D-16
|
|
2 2 2 1 -0.74078629446357D-09 0.51481048228213D-16
|
|
3 2 2 1 -0.11244863759029D-06 0.27212717054121D-16
|
|
1 1 3 1 -0.16282277562679D-06 -0.53940662084555D-16
|
|
2 1 3 1 -0.15712980461899D-06 0.71520341204971D-16
|
|
3 1 3 1 -0.22487050298796D+01 0.49331198848090D-17
|
|
1 2 3 1 0.10585888638061D-06 -0.25040474184577D-16
|
|
2 2 3 1 0.11247839914037D-06 0.13961111614166D-16
|
|
3 2 3 1 -0.76945369781835D-11 -0.11503797929696D-15
|
|
1 1 1 2 -0.74381480335571D-09 0.13649639979877D-16
|
|
2 1 1 2 0.84811171615273D+00 -0.24648947710497D-16
|
|
3 1 1 2 0.10585888638340D-06 0.27415766326915D-16
|
|
1 2 1 2 -0.55092470899907D+00 -0.24563955470375D-18
|
|
2 2 1 2 0.39132336928049D-09 -0.31452594315358D-16
|
|
3 2 1 2 0.16279041033488D-06 0.34586073679974D-16
|
|
1 1 2 2 0.84811171632764D+00 -0.81209939853160D-16
|
|
2 1 2 2 -0.74078629348355D-09 -0.48531997143229D-16
|
|
3 1 2 2 0.11247839914823D-06 -0.11359026400201D-16
|
|
1 2 2 2 0.39132336585488D-09 0.32115821113058D-16
|
|
2 2 2 2 -0.55092470920864D+00 0.20413494028829D-18
|
|
3 2 2 2 0.15709625329001D-06 -0.83285339580931D-16
|
|
1 1 3 2 -0.10582776915326D-06 -0.65902034587419D-16
|
|
2 1 3 2 -0.11244863758458D-06 -0.39355781385959D-16
|
|
3 1 3 2 -0.76944976326560D-11 0.12033108818435D-15
|
|
1 2 3 2 0.16279041034113D-06 -0.34586073679974D-16
|
|
2 2 3 2 0.15709625329221D-06 0.80364769978798D-16
|
|
3 2 3 2 -0.13514660955879D+01 -0.81992789294216D-18
|
|
Band: 2
|
|
1 1 1 1 -0.55092470901852D+00 0.26554482896422D-17
|
|
2 1 1 1 0.39129505544863D-09 0.10416513698162D-16
|
|
3 1 1 1 0.16279941541507D-06 0.52987531825740D-16
|
|
1 2 1 1 -0.74377097166629D-09 -0.12031726587099D-16
|
|
2 2 1 1 0.84811171616272D+00 -0.81675707961548D-16
|
|
3 2 1 1 0.10585617256117D-06 -0.34836915234744D-16
|
|
1 1 2 1 0.39129505360972D-09 -0.11746355425351D-16
|
|
2 1 2 1 -0.55092470922785D+00 0.38836460631610D-17
|
|
3 1 2 1 0.15710450252806D-06 0.70074029199212D-16
|
|
1 2 2 1 0.84811171633767D+00 -0.82207076447507D-18
|
|
2 2 2 1 -0.74074209638968D-09 -0.17360343448445D-16
|
|
3 2 2 1 0.11247542660656D-06 0.29235035005193D-16
|
|
1 1 3 1 0.16279941541902D-06 -0.59926425729647D-16
|
|
2 1 3 1 0.15710450253000D-06 -0.69840248105769D-16
|
|
3 1 3 1 -0.13514660957399D+01 0.75555338895084D-18
|
|
1 2 3 1 -0.10583044852211D-06 0.12361835208871D-15
|
|
2 2 3 1 -0.11245159065888D-06 -0.15166119560838D-16
|
|
3 2 3 1 -0.77063682515410D-11 0.38841280044385D-16
|
|
1 1 1 2 -0.74377097335845D-09 0.17808544226932D-16
|
|
2 1 1 2 0.84811171633767D+00 0.27041250337149D-17
|
|
3 1 1 2 -0.10583044851689D-06 -0.12178579630732D-15
|
|
1 2 1 2 -0.35649979501024D+01 0.73454697185893D-17
|
|
2 2 1 2 0.11608342842951D-08 0.18122095867589D-15
|
|
3 2 1 2 -0.16281374639240D-06 0.54519775918313D-16
|
|
1 1 2 2 0.84811171616272D+00 0.10022827060526D-15
|
|
2 1 2 2 -0.74074209825082D-09 0.93070718233068D-17
|
|
3 1 2 2 -0.11245159065111D-06 0.18635566512792D-16
|
|
1 2 2 2 0.11608342735775D-08 -0.18143525801154D-15
|
|
2 2 2 2 -0.35649979504314D+01 0.15814105125238D-17
|
|
3 2 2 2 -0.15712150469620D-06 0.81159363160562D-16
|
|
1 1 3 2 0.10585617254711D-06 0.36607425852743D-16
|
|
2 1 3 2 0.11247542659419D-06 -0.31837120219158D-16
|
|
3 1 3 2 -0.77063877798856D-11 -0.40391350337860D-16
|
|
1 2 3 2 -0.16281374639238D-06 -0.64928116774174D-16
|
|
2 2 3 2 -0.15712150468390D-06 -0.78010941695618D-16
|
|
3 2 3 2 -0.22487050298403D+01 0.16872896309306D-17
|
|
Band: 3
|
|
1 1 1 1 -0.64606368751373D+00 0.12590297727988D-16
|
|
2 1 1 1 0.42999771713911D-09 0.41434966693331D-17
|
|
3 1 1 1 0.27632049224886D-06 0.40533150594019D-16
|
|
1 2 1 1 -0.26578701091575D-09 0.12984715417776D-16
|
|
2 2 1 1 0.80602420667400D+00 0.97657423464357D-17
|
|
3 2 1 1 0.17902272312517D-06 0.39757353514816D-16
|
|
1 1 2 1 0.42999774027073D-09 -0.99575308192866D-17
|
|
2 1 2 1 -0.64606368745722D+00 -0.11201163694491D-16
|
|
3 1 2 1 0.26660198213996D-06 0.55755297607386D-16
|
|
1 2 2 1 0.80602420652252D+00 0.49562284704951D-16
|
|
2 2 2 1 -0.26450043307848D-09 -0.25450687565237D-17
|
|
3 2 2 1 0.19034715548544D-06 0.14162222675034D-15
|
|
1 1 3 1 0.27632049234978D-06 -0.37063703642065D-16
|
|
2 1 3 1 0.26660198213565D-06 -0.37251015841669D-16
|
|
3 1 3 1 0.13729766392583D+01 0.99102854828753D-18
|
|
1 2 3 1 -0.17901408523443D-06 0.64654160950691D-16
|
|
2 2 3 1 -0.19033969641331D-06 0.21021845922726D-15
|
|
3 2 3 1 0.20501915602115D-11 0.77094131276304D-17
|
|
1 1 1 2 -0.26578696611279D-09 -0.96092891229674D-17
|
|
2 1 1 2 0.80602420652252D+00 -0.23759120032743D-16
|
|
3 1 1 2 -0.17901408526237D-06 -0.63469585373956D-16
|
|
1 2 1 2 -0.60288408414850D-01 0.16391781595265D-16
|
|
2 2 1 2 0.76574295757231D-10 0.30632147509667D-16
|
|
3 2 1 2 -0.27633523001284D-06 -0.75320123507849D-16
|
|
1 1 2 2 0.80602420667400D+00 -0.43913182961071D-17
|
|
2 1 2 2 -0.26450043035443D-09 0.11635580195520D-17
|
|
3 1 2 2 -0.19033969646978D-06 -0.23710667310490D-15
|
|
1 2 2 2 0.76574302292937D-10 -0.19600390404627D-16
|
|
2 2 2 2 -0.60288408234633D-01 0.23398438134953D-16
|
|
3 2 2 2 -0.26661689423627D-06 0.33682312168133D-16
|
|
1 1 3 2 0.17902272318379D-06 -0.36819843253738D-16
|
|
2 1 3 2 0.19034715553731D-06 -0.15896946151011D-15
|
|
3 1 3 2 0.20501938997165D-11 -0.30897469454309D-16
|
|
1 2 3 2 -0.27633522998945D-06 0.82259017411756D-16
|
|
2 2 3 2 -0.26661689424096D-06 -0.39530227635977D-16
|
|
3 2 3 2 0.14470802577397D+01 0.20792964789199D-16
|
|
Band: 4
|
|
1 1 1 1 -0.60288408420127D-01 0.94664402185141D-17
|
|
2 1 1 1 0.76553619748384D-10 -0.76513100922726D-17
|
|
3 1 1 1 -0.27632968481520D-06 -0.14349440358544D-15
|
|
1 2 1 1 -0.26581808681802D-09 -0.28939345529761D-16
|
|
2 2 1 1 0.80602420654081D+00 -0.45575210763607D-16
|
|
3 2 1 1 -0.17900648691743D-06 -0.69649902799206D-16
|
|
1 1 2 1 0.76553591237255D-10 0.61876371594172D-17
|
|
2 1 2 1 -0.60288408258218D-01 -0.21534965650993D-16
|
|
3 1 2 1 -0.26661167414966D-06 -0.46557631880857D-16
|
|
1 2 2 1 0.80602420668839D+00 -0.29575794444840D-17
|
|
2 2 2 1 -0.26452905953488D-09 0.20976197862075D-16
|
|
3 2 2 1 -0.19033151011309D-06 -0.10803540259039D-15
|
|
1 1 3 1 -0.27632968479760D-06 0.13829023315751D-15
|
|
2 1 3 1 -0.26661167414870D-06 0.41475434197331D-16
|
|
3 1 3 1 0.14470802576891D+01 0.77046116882251D-17
|
|
1 2 3 1 0.17903011736506D-06 -0.12243844444504D-15
|
|
2 2 3 1 0.19035526548697D-06 -0.80208062733514D-16
|
|
3 2 3 1 0.21017738172488D-11 0.32048321013657D-16
|
|
1 1 1 2 -0.26581802512183D-09 -0.23239578086998D-16
|
|
2 1 1 2 0.80602420668839D+00 0.16914698212285D-18
|
|
3 1 1 2 0.17903011737624D-06 0.13886114274288D-15
|
|
1 2 1 2 -0.64606368750062D+00 -0.16215598742236D-16
|
|
2 2 1 2 0.42996419085020D-09 -0.95184572162398D-17
|
|
3 2 1 2 0.27632589294658D-06 0.30991798308194D-15
|
|
1 1 2 2 0.80602420654081D+00 0.60390664044032D-16
|
|
2 1 2 2 -0.26452901528757D-09 -0.73330381806504D-17
|
|
3 1 2 2 0.19035526551945D-06 0.10796363834914D-15
|
|
1 2 2 2 0.42996414906606D-09 0.60767061112452D-18
|
|
2 2 2 2 -0.64606368745030D+00 0.85448683719014D-17
|
|
3 2 2 2 0.26660692670504D-06 -0.15319926358990D-15
|
|
1 1 3 2 -0.17900648692730D-06 0.69738841258667D-16
|
|
2 1 3 2 -0.19033151009021D-06 0.12017846692222D-15
|
|
3 1 3 2 0.21017549555191D-11 0.19983642386754D-16
|
|
1 2 3 2 0.27632589284752D-06 -0.28563185441826D-15
|
|
2 2 3 2 0.26660692667803D-06 0.11906214174966D-15
|
|
3 2 3 2 0.13729766392623D+01 0.32695471764016D-17
|
|
Band: 5
|
|
1 1 1 1 0.28793412532989D-01 0.18177327048077D-16
|
|
2 1 1 1 -0.57631295489481D-02 -0.61734745055587D-16
|
|
3 1 1 1 0.31034123299584D-07 0.26959975686290D-16
|
|
1 2 1 1 0.21191679806152D-02 0.40121335683515D-16
|
|
2 2 1 1 -0.59521841001200D+00 -0.91002592112450D-16
|
|
3 2 1 1 0.21357917759051D-07 0.31553564768635D-16
|
|
1 1 2 1 -0.57631295489481D-02 0.74231869159377D-16
|
|
2 1 2 1 0.21235779145545D+01 -0.12944781016414D-16
|
|
3 1 2 1 0.29993663871739D-07 0.14313256594774D-16
|
|
1 2 2 1 -0.42004362118103D+00 0.14838174163826D-16
|
|
2 2 2 1 0.21191682715782D-02 -0.27724817498775D-16
|
|
3 2 2 1 0.21957181881191D-07 -0.43235749088119D-16
|
|
1 1 3 1 0.31034123331460D-07 -0.33898869590197D-16
|
|
2 1 3 1 0.29993663836985D-07 -0.17424408610039D-16
|
|
3 1 3 1 -0.20493187652484D+00 -0.82670415652020D-18
|
|
1 2 3 1 -0.21361925721578D-07 0.22627104369718D-16
|
|
2 2 3 1 -0.21974264203183D-07 -0.45734183561575D-16
|
|
3 2 3 1 0.10241688371781D-02 0.23704960844168D-16
|
|
1 1 1 2 0.21191679806152D-02 -0.36075906327429D-16
|
|
2 1 1 2 -0.42004362118103D+00 0.18439279741110D-17
|
|
3 1 1 2 -0.21361925707555D-07 -0.20888992761952D-16
|
|
1 2 1 2 -0.57807941318194D-01 0.36253010142484D-18
|
|
2 2 1 2 -0.12839270467334D-02 0.66811959558778D-16
|
|
3 2 1 2 -0.31031433330017D-07 0.11787017783807D-17
|
|
1 1 2 2 -0.59521841001201D+00 0.79446309854823D-16
|
|
2 1 2 2 0.21191682715782D-02 0.21256662155305D-16
|
|
3 1 2 2 -0.21974264225612D-07 0.57877247893412D-16
|
|
1 2 2 2 -0.12839270467334D-02 -0.63400110847238D-16
|
|
2 2 2 2 0.62677331011695D+00 0.12701259044078D-17
|
|
3 2 2 2 -0.29983194521112D-07 -0.53092534638126D-16
|
|
1 1 3 2 0.21357917809928D-07 -0.37099936507256D-16
|
|
2 1 3 2 0.21957181867583D-07 0.51909366468003D-16
|
|
3 1 3 2 0.10241688371781D-02 -0.21761231988457D-16
|
|
1 2 3 2 -0.31031433354772D-07 -0.46481487303344D-17
|
|
2 2 3 2 -0.29983194532707D-07 0.48220401125519D-16
|
|
3 2 3 2 0.47410218591121D-01 -0.28218902637777D-17
|
|
Band: 6
|
|
1 1 1 1 -0.57808320385363D-01 0.22869889575866D-17
|
|
2 1 1 1 0.22571403437833D-03 -0.74771670029085D-17
|
|
3 1 1 1 -0.30876180777236D-07 -0.24703097342292D-17
|
|
1 2 1 1 -0.16806232163098D-02 -0.36796718608903D-17
|
|
2 2 1 1 -0.42004338914964D+00 0.26516432879999D-16
|
|
3 2 1 1 -0.21129861625446D-07 0.63433722851151D-17
|
|
1 1 2 1 0.22571403437832D-03 0.47014400347562D-17
|
|
2 1 2 1 0.62677194377166D+00 -0.22317200577783D-17
|
|
3 1 2 1 -0.29808186980597D-07 -0.19656275095082D-16
|
|
1 2 2 1 -0.59521864204524D+00 0.16075024157555D-16
|
|
2 2 2 1 -0.16806229262715D-02 -0.70294961394486D-16
|
|
3 2 2 1 -0.21748863523707D-07 0.61433608053565D-17
|
|
1 1 3 1 -0.30876180781499D-07 0.59397566861829D-17
|
|
2 1 3 1 -0.29808186978756D-07 0.62358850787852D-17
|
|
3 1 3 1 0.47410496741972D-01 -0.93173624197973D-20
|
|
1 2 3 1 0.21114475232554D-07 -0.73559197590948D-17
|
|
2 2 3 1 0.21726193362574D-07 0.72687538420572D-16
|
|
3 2 3 1 -0.81222545731178D-03 0.36051847021151D-17
|
|
1 1 1 2 -0.16806232163098D-02 -0.88075352712685D-18
|
|
2 1 1 2 -0.59521864204524D+00 0.38990715298853D-17
|
|
3 1 1 2 0.21114475219900D-07 0.49435699253145D-17
|
|
1 2 1 2 0.28792910836735D-01 -0.16212210610447D-16
|
|
2 2 1 2 0.53630107006366D-02 0.12855245894489D-15
|
|
3 2 1 2 0.30881804473290D-07 0.32151178572610D-16
|
|
1 1 2 2 -0.42004338914964D+00 -0.18945864155676D-16
|
|
2 1 2 2 -0.16806229262715D-02 0.53995718148709D-16
|
|
3 1 2 2 0.21726193398003D-07 -0.83095879276433D-16
|
|
1 2 2 2 0.53630107006366D-02 -0.12955873408623D-15
|
|
2 2 2 2 0.21235801616444D+01 0.96379643903331D-17
|
|
3 2 2 2 0.29840329110705D-07 0.59053631356659D-16
|
|
1 1 3 2 -0.21129861634614D-07 -0.29687930232540D-17
|
|
2 1 3 2 -0.21748863528489D-07 -0.18286425137194D-16
|
|
3 1 3 2 -0.81222545731175D-03 -0.77587695776542D-17
|
|
1 2 3 2 0.30881804502789D-07 -0.59906754188239D-16
|
|
2 2 3 2 0.29840329127106D-07 -0.53222656547761D-16
|
|
3 2 3 2 -0.20493215468785D+00 -0.38497647452708D-17
|
|
Band: 7
|
|
1 1 1 1 0.21368911959882D+01 0.59609943663021D-17
|
|
2 1 1 1 0.65404811462420D-02 0.87067059775973D-17
|
|
3 1 1 1 0.30104015446682D-07 0.92530163404813D-16
|
|
1 2 1 1 -0.21322073282158D-02 0.15327010467268D-16
|
|
2 2 1 1 -0.41848553686321D+00 -0.16646091465507D-15
|
|
3 2 1 1 0.19877829614260D-07 -0.63816615631286D-16
|
|
1 1 2 1 0.65404811462420D-02 -0.32035329192861D-17
|
|
2 1 2 1 0.29565638464321D-01 -0.67762635780344D-18
|
|
3 1 2 1 0.29005411080812D-07 -0.94565598597841D-17
|
|
1 2 2 1 -0.59677649426008D+00 0.78957966846484D-16
|
|
2 2 2 1 -0.21322076213518D-02 0.37972387434058D-16
|
|
3 2 2 1 0.21778487498355D-07 -0.32075387791999D-18
|
|
1 1 3 1 0.30104015393680D-07 -0.82121822548953D-16
|
|
2 1 3 1 0.29005411109555D-07 0.10666122908463D-16
|
|
3 1 3 1 -0.20717663801634D+00 -0.18865541317721D-17
|
|
1 2 3 1 -0.19894867930450D-07 0.15421832268954D-16
|
|
2 2 3 1 -0.21774304825676D-07 0.14795341183188D-16
|
|
3 2 3 1 -0.10304708765580D-02 -0.15845279133662D-16
|
|
1 1 1 2 -0.21322073282158D-02 -0.73917940591533D-17
|
|
2 1 1 2 -0.59677649426008D+00 -0.79633687380156D-16
|
|
3 1 1 2 -0.19894867942305D-07 -0.18018835285236D-16
|
|
1 2 1 2 0.61345809355958D+00 -0.58809497527866D-17
|
|
2 2 1 2 0.54993710028833D-03 -0.42770132708686D-16
|
|
3 2 1 2 -0.30087230029157D-07 0.11907665459057D-16
|
|
1 1 2 2 -0.41848553686321D+00 0.16821787274591D-15
|
|
2 1 2 2 -0.21322076213518D-02 -0.26335001771731D-16
|
|
3 1 2 2 -0.21774304825841D-07 -0.19999511611119D-16
|
|
1 2 2 2 0.54993710028832D-03 0.43500275109219D-16
|
|
2 2 2 2 -0.58578233078869D-01 -0.37100043089738D-18
|
|
3 2 2 2 -0.29002089380007D-07 0.67559383326954D-17
|
|
1 1 3 2 0.19877829603359D-07 0.48841073123830D-16
|
|
2 1 3 2 0.21778487465332D-07 -0.66181400259872D-17
|
|
3 1 3 2 -0.10304708765580D-02 0.15537276778217D-16
|
|
1 2 3 2 -0.30087230038694D-07 -0.49687715551493D-17
|
|
2 2 3 2 -0.29002089377469D-07 -0.92750143178297D-17
|
|
3 2 3 2 0.49654979497023D-01 0.39118099086572D-17
|
|
Band: 8
|
|
1 1 1 1 0.61346040695021D+00 0.49263436212310D-17
|
|
2 1 1 1 -0.10030667978749D-02 0.28598881772652D-16
|
|
3 1 1 1 -0.30237722694033D-07 0.11567187282561D-16
|
|
1 2 1 1 0.16936637203101D-02 -0.12734751017340D-16
|
|
2 2 1 1 -0.59677672629759D+00 0.60962290589525D-16
|
|
3 2 1 1 -0.20134921072187D-07 0.12342002536945D-16
|
|
1 1 2 1 -0.10030667978749D-02 -0.32804400355770D-16
|
|
2 1 2 1 -0.58578801063845D-01 -0.92631523111730D-17
|
|
3 1 2 1 -0.29164481063053D-07 -0.17162556140315D-16
|
|
1 2 2 1 -0.41848530483675D+00 0.27724617194520D-16
|
|
2 2 2 1 0.16936634279337D-02 0.36802363798129D-16
|
|
3 2 2 1 -0.22016340985693D-07 0.67388449374700D-17
|
|
1 1 3 1 -0.30237722704608D-07 0.57800474772069D-17
|
|
2 1 3 1 -0.29164481067850D-07 0.16946562738765D-16
|
|
3 1 3 1 0.49654701341814D-01 -0.13609701880008D-17
|
|
1 2 3 1 0.20110735361677D-07 0.52731703549064D-16
|
|
2 2 3 1 0.21994019814048D-07 0.11274140688561D-16
|
|
3 2 3 1 0.81852750273784D-03 0.56799240002859D-17
|
|
1 1 1 2 0.16936637203102D-02 0.36467343649984D-16
|
|
2 1 1 2 -0.41848530483675D+00 -0.36955370495461D-16
|
|
3 1 1 2 0.20110735379518D-07 -0.65488019734714D-16
|
|
1 2 1 2 0.21368936320060D+01 -0.13721933745520D-18
|
|
2 2 1 2 -0.46290219201405D-02 -0.77430303291099D-16
|
|
3 2 1 2 0.30261920263829D-07 -0.49186105574147D-16
|
|
1 1 2 2 -0.59677672629759D+00 -0.29706774835842D-16
|
|
2 1 2 2 0.16936634279337D-02 -0.35674115912386D-16
|
|
3 1 2 2 0.21994019788857D-07 -0.13008864164538D-16
|
|
1 2 2 2 -0.46290219201405D-02 0.71333360136763D-16
|
|
2 2 2 2 0.29561457040808D-01 -0.17443796515755D-16
|
|
3 2 2 2 0.29169992200252D-07 -0.20080263903901D-16
|
|
1 1 3 2 -0.20134921070228D-07 -0.14364717214988D-16
|
|
2 1 3 2 -0.22016340997458D-07 -0.37963867505053D-16
|
|
3 1 3 2 0.81852750273783D-03 -0.51417933809834D-17
|
|
1 2 3 2 0.30261920245697D-07 0.66533340333916D-16
|
|
2 2 3 2 0.29169992246532D-07 0.18826655141965D-16
|
|
3 2 3 2 -0.20717635987381D+00 0.86544532594524D-17
|
|
K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.47901590142937D+01 -0.39175273810511D-17
|
|
2 1 1 1 0.10980535929692D-08 0.64875384041726D-16
|
|
3 1 1 1 0.73001080358754D-10 -0.11477052041276D-18
|
|
1 2 1 1 -0.56138213737820D-09 -0.39616756924166D-17
|
|
2 2 1 1 0.51084589188164D+00 0.95759774875400D-16
|
|
3 2 1 1 0.15905287753594D-09 0.15836295295901D-16
|
|
1 1 2 1 0.10980534776816D-08 -0.68228616849670D-16
|
|
2 1 2 1 -0.47901590147830D+01 0.27160111453709D-17
|
|
3 1 2 1 0.77102590300154D-10 0.81873634529072D-16
|
|
1 2 2 1 0.51084589186527D+00 -0.22083475987189D-16
|
|
2 2 2 1 -0.55936482117768D-09 0.29277578132867D-16
|
|
3 2 2 1 0.15346646377537D-09 0.19619125123866D-17
|
|
1 1 3 1 0.73001194418018D-10 -0.61744925916314D-17
|
|
2 1 3 1 0.77102565785333D-10 -0.86044704736140D-16
|
|
3 1 3 1 -0.27220347459144D+01 0.46552930781096D-17
|
|
1 2 3 1 -0.13461566677449D-09 0.33212582582971D-16
|
|
2 2 3 1 -0.12997308157216D-09 0.33636338961786D-17
|
|
3 2 3 1 -0.43533265906289D-11 -0.24206427838885D-16
|
|
1 1 1 2 -0.56138213859907D-09 0.41815737077576D-17
|
|
2 1 1 2 0.51084589186527D+00 0.22073576289618D-16
|
|
3 1 1 2 -0.13461567672806D-09 -0.33637068434727D-16
|
|
1 2 1 2 -0.83662410406090D-01 -0.20328790734103D-19
|
|
2 2 1 2 0.12651331355726D-09 -0.35955149437154D-17
|
|
3 2 1 2 -0.91259410529363D-10 -0.11755525396340D-18
|
|
1 1 2 2 0.51084589188164D+00 -0.95739287265988D-16
|
|
2 1 2 2 -0.55936482978173D-09 -0.29253298632107D-16
|
|
3 1 2 2 -0.12997309436693D-09 -0.33713505994896D-17
|
|
1 2 2 2 0.12651331372494D-09 0.36000521719508D-17
|
|
2 2 2 2 -0.83662410440330D-01 -0.16940658945086D-20
|
|
3 2 2 2 -0.96921776292176D-10 -0.26200864164351D-17
|
|
1 1 3 2 0.15905287569546D-09 -0.15088092492367D-16
|
|
2 1 3 2 0.15346646192999D-09 -0.18061185757826D-17
|
|
3 1 3 2 -0.43533317565391D-11 0.23961181608562D-16
|
|
1 2 3 2 -0.91259410387161D-10 0.10746113017433D-18
|
|
2 2 3 2 -0.96921776982200D-10 0.25825906294608D-17
|
|
3 2 3 2 -0.14538916964120D-01 0.44892746204478D-19
|
|
Band: 2
|
|
1 1 1 1 -0.83662410408538D-01 0.71997800516616D-20
|
|
2 1 1 1 0.12649302404018D-09 -0.35377022162782D-17
|
|
3 1 1 1 -0.91258494233578D-10 -0.20782708764307D-17
|
|
1 2 1 1 -0.56131934361379D-09 0.24260586060302D-16
|
|
2 2 1 1 0.51084589187555D+00 0.21127653496364D-16
|
|
3 2 1 1 -0.13455171604234D-09 -0.99277374277649D-17
|
|
1 1 2 1 0.12649302476546D-09 0.35379803400072D-17
|
|
2 1 2 1 -0.83662410442634D-01 0.84703294725430D-20
|
|
3 1 2 1 -0.96918466424709D-10 -0.46182927256252D-18
|
|
1 2 2 1 0.51084589189134D+00 -0.15972914935952D-16
|
|
2 2 2 1 -0.55930499522074D-09 -0.20301335142034D-16
|
|
3 2 2 1 -0.12994864198107D-09 -0.15693732208760D-16
|
|
1 1 3 1 -0.91258493279088D-10 0.20481753186349D-17
|
|
2 1 3 1 -0.96918466321670D-10 0.44851342892156D-18
|
|
3 1 3 1 -0.14538916964470D-01 -0.52516042729767D-19
|
|
1 2 3 1 0.15902301015608D-09 -0.65143810311088D-17
|
|
2 2 3 1 0.15344645521426D-09 -0.13980492293179D-16
|
|
3 2 3 1 -0.44477267973017D-11 0.19626527295725D-16
|
|
1 1 1 2 -0.56131932787480D-09 -0.24120183959850D-16
|
|
2 1 1 2 0.51084589189134D+00 0.16259053253447D-16
|
|
3 1 1 2 0.15902300732604D-09 0.64421315608908D-17
|
|
1 2 1 2 -0.47901590143385D+01 -0.29502157552867D-17
|
|
2 2 1 2 0.10978192004641D-08 0.46053154706313D-16
|
|
3 2 1 2 0.73016800077505D-10 0.76382235385319D-16
|
|
1 1 2 2 0.51084589187555D+00 -0.21160423083511D-16
|
|
2 1 2 2 -0.55930497946552D-09 0.20311308091033D-16
|
|
3 1 2 2 0.15344645260840D-09 0.14163145146165D-16
|
|
1 2 2 2 0.10978191676244D-08 -0.44821884919709D-16
|
|
2 2 2 2 -0.47901590148288D+01 0.44304058306136D-17
|
|
3 2 2 2 0.77162602648475D-10 -0.87800284575909D-16
|
|
1 1 3 2 -0.13455172511133D-09 0.96476301875142D-17
|
|
2 1 3 2 -0.12994864542234D-09 0.15172519539710D-16
|
|
3 1 3 2 -0.44477298198935D-11 -0.20630294011856D-16
|
|
1 2 3 2 0.73016838737115D-10 -0.70855589681259D-16
|
|
2 2 3 2 0.77162710369110D-10 0.83539012520240D-16
|
|
3 2 3 2 -0.27220347461570D+01 0.81052582722764D-17
|
|
Band: 3
|
|
1 1 1 1 -0.13537163462607D+00 -0.34890981163299D-16
|
|
2 1 1 1 0.99799337833258D+00 -0.10326358696698D-15
|
|
3 1 1 1 0.51085449235556D-01 -0.45203344466191D-16
|
|
1 2 1 1 -0.70802191443724D+00 0.39485127648914D-16
|
|
2 2 1 1 -0.46490653764582D+00 0.32234195952077D-15
|
|
3 2 1 1 -0.67869419322300D-01 0.12740053748401D-15
|
|
1 1 2 1 0.99799337833258D+00 0.12581499215468D-15
|
|
2 1 2 1 -0.25926307165149D+00 0.11275702593849D-16
|
|
3 1 2 1 -0.68322778615724D-02 -0.16950112465332D-16
|
|
1 2 2 1 -0.19985718441237D-01 -0.43299115058630D-16
|
|
2 2 2 1 -0.70802197911015D+00 -0.10798256482176D-16
|
|
3 2 2 1 0.35237528938677D-01 0.31914131687281D-16
|
|
1 1 3 1 0.51085449235556D-01 0.39836543712388D-16
|
|
2 1 3 1 -0.68322778615724D-02 0.19552197679297D-16
|
|
3 1 3 1 -0.59318066152719D+00 -0.86736173798840D-17
|
|
1 2 3 1 -0.83462648262988D-01 -0.52318961883365D-16
|
|
2 2 3 1 -0.17210897428341D+00 0.50729668142308D-16
|
|
3 2 3 1 0.17247849627817D+00 0.17162715449417D-16
|
|
1 1 1 2 -0.70802191443724D+00 -0.22137892889146D-16
|
|
2 1 1 2 -0.19985718441237D-01 0.86046455390934D-17
|
|
3 1 1 2 -0.83462648262988D-01 0.55788408835318D-16
|
|
1 2 1 2 -0.32523550373405D+00 0.69388939039072D-17
|
|
2 2 1 2 0.24996277567664D+00 0.15510006065032D-15
|
|
3 2 1 2 -0.71802736382616D-01 0.37151939410254D-16
|
|
1 1 2 2 -0.46490653764582D+00 -0.29979055433307D-15
|
|
2 1 2 2 -0.70802197911015D+00 0.40288555573782D-16
|
|
3 1 2 2 -0.17210897428341D+00 -0.46480950878881D-16
|
|
1 2 2 2 0.24996277567664D+00 -0.14946220935340D-15
|
|
2 2 2 2 -0.21632325018385D+00 -0.36862873864507D-16
|
|
3 2 2 2 -0.16073818321917D-01 0.41362415018126D-16
|
|
1 1 3 2 -0.67869419322300D-01 -0.11601641467291D-15
|
|
2 1 3 2 0.35237528938677D-01 -0.30179408211304D-16
|
|
3 1 3 2 0.17247849627817D+00 0.18451931035107D-18
|
|
1 2 3 2 -0.71802736382616D-01 -0.34333013761792D-16
|
|
2 2 3 2 -0.16073818321917D-01 -0.26183584603329D-16
|
|
3 2 3 2 -0.49249789232375D+00 -0.86736173798840D-17
|
|
Band: 4
|
|
1 1 1 1 -0.37045257320977D+00 0.69388939039072D-17
|
|
2 1 1 1 -0.10624372557726D+01 0.10644524939609D-15
|
|
3 1 1 1 0.11151872490574D-01 -0.29502934246984D-16
|
|
1 2 1 1 0.71737544268455D+00 -0.43613331263840D-16
|
|
2 2 1 1 -0.75481078067184D-01 0.52386142861575D-16
|
|
3 2 1 1 -0.21291552291721D-01 0.26084414889375D-16
|
|
1 1 2 1 -0.10624372557726D+01 -0.73485503352535D-16
|
|
2 1 2 1 0.17877412866868D+00 0.36429192995513D-16
|
|
3 1 2 1 -0.28004204231849D-01 0.18698991069548D-16
|
|
1 2 2 1 -0.59300812129437D+00 -0.30334559672817D-16
|
|
2 2 2 1 0.71737544329280D+00 -0.13391915053003D-16
|
|
3 2 2 1 0.72819954872550D-02 -0.30177509248189D-16
|
|
1 1 3 1 0.11151872490574D-01 0.25816646860533D-16
|
|
2 1 3 1 -0.28004204231849D-01 -0.19783193242033D-16
|
|
3 1 3 1 -0.56957741941778D+00 0.17347234759768D-17
|
|
1 2 3 1 0.91017336609357D-01 -0.41204327470597D-16
|
|
2 2 3 1 -0.38262988370115D-01 -0.48291453183317D-17
|
|
3 2 3 1 -0.17475706104141D+00 -0.32460373992967D-16
|
|
1 1 1 2 0.71737544268455D+00 0.13689351303241D-16
|
|
2 1 1 2 -0.59300812129437D+00 0.14505207954529D-16
|
|
3 1 1 2 0.91017336609357D-01 0.34482274001187D-16
|
|
1 2 1 2 -0.38192041040807D+00 -0.52041704279304D-17
|
|
2 2 1 2 -0.20200532013052D+00 -0.15314669738210D-15
|
|
3 2 1 2 -0.15841252138814D-01 -0.70076837774483D-17
|
|
1 1 2 2 -0.75481078067184D-01 -0.38508355053760D-16
|
|
2 1 2 2 0.71737544329280D+00 -0.31277214453399D-16
|
|
3 1 2 2 -0.38262988370115D-01 0.47207251010831D-17
|
|
1 2 2 2 -0.20200532013052D+00 0.14620780347819D-15
|
|
2 2 2 2 -0.10348849778389D+00 0.17347234759768D-16
|
|
3 2 2 2 0.38558116126861D-01 -0.28568624942330D-17
|
|
1 1 3 2 -0.21291552291721D-01 -0.27869960342187D-16
|
|
2 1 3 2 0.72819954872550D-02 0.40829795592859D-16
|
|
3 1 3 2 -0.17475706104141D+00 0.41133991372851D-16
|
|
1 2 3 2 -0.15841252138814D-01 0.18035133495179D-17
|
|
2 2 3 2 0.38558116126861D-01 0.37242242322214D-17
|
|
3 2 3 2 -0.42707241211321D+00 0.86736173798840D-17
|
|
Band: 5
|
|
1 1 1 1 -0.52584327387783D+00 0.52041704279304D-17
|
|
2 1 1 1 0.98897766865000D-01 0.51657952707028D-16
|
|
3 1 1 1 -0.11365539769313D+00 -0.11503356031131D-15
|
|
1 2 1 1 -0.21006360443877D+00 -0.83286503911733D-16
|
|
2 2 1 1 0.22617560721091D+00 0.45451818806547D-16
|
|
3 2 1 1 0.38978853548481D-01 -0.51731869737642D-17
|
|
1 1 2 1 0.98897766865000D-01 -0.71119381703143D-16
|
|
2 1 2 1 -0.70424147991856D+00 -0.52041704279304D-17
|
|
3 1 2 1 0.75302407716953D-02 0.27123881491386D-16
|
|
1 2 2 1 0.41377147796784D+00 -0.19860467831764D-16
|
|
2 2 2 1 -0.21006363332139D+00 -0.87417719592588D-16
|
|
3 2 2 1 -0.81758758846978D-01 0.37444617723107D-16
|
|
1 1 3 1 -0.11365539769313D+00 0.10592626206243D-15
|
|
2 1 3 1 0.75302407716953D-02 -0.28031900810843D-16
|
|
3 1 3 1 -0.13640359604805D+01 0.34694469519536D-17
|
|
1 2 3 1 0.31590450732754D-01 0.99359021747242D-17
|
|
2 2 3 1 0.37724086826588D+00 -0.18570888214595D-15
|
|
3 2 3 1 0.51172767385330D-01 -0.72993058779755D-16
|
|
1 1 1 2 -0.21006360443877D+00 0.10670527083742D-15
|
|
2 1 1 2 0.41377147796784D+00 0.29401446949637D-16
|
|
3 1 1 2 0.31590450732754D-01 -0.20344243030585D-16
|
|
1 2 1 2 -0.60666464547058D+00 -0.10408340855861D-16
|
|
2 2 1 2 0.27135934662677D+00 0.33857646184883D-16
|
|
3 2 1 2 0.15838049554685D+00 -0.13660458843292D-15
|
|
1 1 2 2 0.22617560721091D+00 -0.68003223994246D-16
|
|
2 1 2 2 -0.21006363332139D+00 0.95223975234484D-16
|
|
3 1 2 2 0.37724086826588D+00 0.16922900912417D-15
|
|
1 2 2 2 0.27135934662677D+00 -0.47261095542235D-16
|
|
2 2 2 2 -0.68690373888651D+00 0.78062556418956D-17
|
|
3 2 2 2 0.31513516161895D-02 -0.49515292495287D-16
|
|
1 1 3 2 0.38978853548481D-01 -0.84877603995532D-17
|
|
2 1 3 2 -0.81758758846978D-01 -0.55062903025996D-16
|
|
3 1 3 2 0.51172767385330D-01 0.46104844902115D-16
|
|
1 2 3 2 0.15838049554685D+00 0.13942351408138D-15
|
|
2 2 3 2 0.31513516161894D-02 0.50382654233275D-16
|
|
3 2 3 2 -0.26709308806189D+00 0.52041704279304D-17
|
|
Band: 6
|
|
1 1 1 1 -0.15243440496584D+00 0.00000000000000D+00
|
|
2 1 1 1 -0.22617456800462D+00 0.79831162593089D-16
|
|
3 1 1 1 -0.49669000126554D-01 0.20326497097926D-16
|
|
1 2 1 1 0.84365153507665D+00 0.59584721668950D-16
|
|
2 2 1 1 -0.13528668635079D+00 0.10680170968560D-15
|
|
3 2 1 1 0.66133686371742D-01 0.36997989443683D-16
|
|
1 1 2 1 -0.22617456800462D+00 -0.81565886069066D-16
|
|
2 1 2 1 -0.34423203529858D+00 -0.24286128663675D-16
|
|
3 1 2 1 0.27864448303021D-01 0.24619683853439D-16
|
|
1 2 2 1 -0.51574951649536D+00 0.80610253395600D-17
|
|
2 2 2 1 0.84365153135106D+00 0.69985460730622D-17
|
|
3 2 2 1 -0.11600915904039D+00 0.95977451814354D-17
|
|
1 1 3 1 -0.49669000126554D-01 -0.20326497097926D-16
|
|
2 1 3 1 0.27864448303021D-01 -0.23427061463705D-16
|
|
3 1 3 1 -0.42477256381834D+00 0.69388939039072D-17
|
|
1 2 3 1 -0.14781268709222D-01 0.49467530708933D-16
|
|
2 2 3 1 0.29510636229040D-01 -0.58907399612805D-16
|
|
3 2 3 1 -0.20551869239851D+00 -0.18639029927558D-17
|
|
1 1 1 2 0.84365153507665D+00 -0.97114217346163D-17
|
|
2 1 1 2 -0.51574951649536D+00 -0.33431356175721D-16
|
|
3 1 1 2 -0.14781268709222D-01 -0.43477313705950D-16
|
|
1 2 1 2 0.92910940094342D-01 -0.17347234759768D-17
|
|
2 2 1 2 -0.12608416507341D+01 -0.90783315280753D-17
|
|
3 2 1 2 0.36576314340014D-01 -0.13887165424116D-16
|
|
1 1 2 2 -0.13528668635079D+00 -0.49989515847362D-16
|
|
2 1 2 2 0.84365153135106D+00 0.29430646922451D-16
|
|
3 1 2 2 0.29510636229040D-01 0.49637471038054D-16
|
|
1 2 2 2 -0.12608416507341D+01 0.28160289763820D-16
|
|
2 2 2 2 -0.29796286233939D+00 -0.12143064331838D-16
|
|
3 2 2 2 -0.20091586410215D-01 0.98902736125966D-17
|
|
1 1 3 2 0.66133686371742D-01 -0.29354364127660D-16
|
|
2 1 3 2 -0.11600915904039D+00 -0.16807689628464D-16
|
|
3 1 3 2 -0.20551869239851D+00 -0.33402674351746D-17
|
|
1 2 3 2 0.36576314340014D-01 0.18223974114058D-16
|
|
2 2 3 2 -0.20091586410215D-01 -0.64208266606429D-17
|
|
3 2 3 2 -0.58034047397126D+00 0.69388939039072D-17
|
|
Band: 7
|
|
1 1 1 1 -0.54832905791643D+00 -0.34694469519536D-17
|
|
2 1 1 1 0.41899605206424D-01 -0.24892963138713D-16
|
|
3 1 1 1 0.12652189248780D+00 0.18435916742125D-16
|
|
1 2 1 1 -0.50558705865843D+00 0.99020326269162D-16
|
|
2 2 1 1 0.77676427035345D-01 0.11494297696781D-15
|
|
3 2 1 1 0.23985616967678D+00 -0.78973326835600D-16
|
|
1 1 2 1 0.41899605206424D-01 0.15650139618274D-16
|
|
2 1 2 1 -0.53881823441024D+00 0.52041704279304D-17
|
|
3 1 2 1 0.11067941594091D+00 -0.89230314224616D-16
|
|
1 2 2 1 0.19144464948184D+00 0.29517386461717D-16
|
|
2 2 2 1 -0.50558706671635D+00 0.10026984287298D-15
|
|
3 2 2 1 0.23462660717371D+00 -0.38936277771448D-16
|
|
1 1 3 1 0.12652189248780D+00 -0.24724289342540D-16
|
|
2 1 3 1 0.11067941594091D+00 0.98771293342488D-16
|
|
3 1 3 1 -0.85142908237833D+00 0.26020852139652D-17
|
|
1 2 3 1 -0.97205467539707D-01 0.31469704743761D-15
|
|
2 2 3 1 -0.17782011451820D+00 -0.28084295254415D-15
|
|
3 2 3 1 0.12316414817203D+00 -0.51441121780839D-16
|
|
1 1 1 2 -0.50558705865843D+00 -0.94466677144723D-16
|
|
2 1 1 2 0.19144464948184D+00 -0.23012173426804D-16
|
|
3 1 1 2 -0.97205467539707D-01 -0.33464636741134D-15
|
|
1 2 1 2 -0.49110375587373D+00 0.52041704279304D-17
|
|
2 2 1 2 0.84924582821718D+00 -0.64007016065680D-17
|
|
3 2 1 2 -0.11792349141760D+00 0.67370497045012D-16
|
|
1 1 2 2 0.77676427035345D-01 -0.14985428692184D-15
|
|
2 1 2 2 -0.50558706671635D+00 -0.96800395921030D-16
|
|
3 1 2 2 -0.17782011451820D+00 0.26262835604639D-15
|
|
1 2 2 2 0.84924582821718D+00 0.57501803030767D-17
|
|
2 2 2 2 -0.42206393555809D+00 0.60715321659188D-17
|
|
3 2 2 2 -0.89087368135304D-01 0.24096359435398D-15
|
|
1 1 3 2 0.23985616967678D+00 0.93284795512409D-16
|
|
2 1 3 2 0.23462660717371D+00 0.40671001247425D-16
|
|
3 1 3 2 0.12316414817203D+00 0.63150505243683D-16
|
|
1 2 3 2 -0.11792349141760D+00 -0.72574667472942D-16
|
|
2 2 3 2 -0.89087368135304D-01 -0.24443304130593D-15
|
|
3 2 3 2 -0.59988099478860D+00 0.17347234759768D-17
|
|
Band: 8
|
|
1 1 1 1 -0.72547203770809D+00 -0.86736173798840D-18
|
|
2 1 1 1 0.14982107440746D+00 -0.84330842407322D-16
|
|
3 1 1 1 -0.25434816412573D-01 0.35482143829875D-16
|
|
1 2 1 1 -0.13735440120262D+00 0.79493608573467D-16
|
|
2 2 1 1 0.41027963952576D+00 0.79373468740067D-16
|
|
3 2 1 1 -0.25580773796987D+00 0.24893712056421D-15
|
|
1 1 2 1 0.14982107440746D+00 0.80644555020871D-16
|
|
2 1 2 1 -0.79012229049278D+00 -0.43368086899420D-17
|
|
3 1 2 1 -0.11123762294215D+00 0.12087907073033D-15
|
|
1 2 2 1 0.56198460049088D+00 -0.85822899253105D-16
|
|
2 2 2 1 -0.13735429646810D+00 0.89626050633879D-17
|
|
3 2 2 1 -0.79378213700054D-01 -0.20809397206394D-16
|
|
1 1 3 1 -0.25434816412573D-01 -0.37216867305852D-16
|
|
2 1 3 1 -0.11123762294215D+00 -0.11965934328629D-15
|
|
3 1 3 1 -0.17808174086359D+00 0.00000000000000D+00
|
|
1 2 3 1 0.72841597183530D-01 -0.83724257510781D-17
|
|
2 2 3 1 -0.18559427311119D-01 -0.27394681166254D-16
|
|
3 2 3 1 0.33460341589088D-01 -0.10790212632602D-15
|
|
1 1 1 2 -0.13735440120262D+00 -0.73855757276542D-16
|
|
2 1 1 2 0.56198460049088D+00 0.95797559239972D-16
|
|
3 1 1 2 0.72841597183530D-01 0.16070261175725D-16
|
|
1 2 1 2 -0.74588960697356D+00 0.26020852139652D-17
|
|
2 2 1 2 0.92279021378517D-01 -0.95671764646944D-16
|
|
3 2 1 2 0.10610670033592D-01 -0.11019980094177D-15
|
|
1 1 2 2 0.41027963952576D+00 -0.77638745264090D-16
|
|
2 1 2 2 -0.13735429646810D+00 -0.98299668013763D-17
|
|
3 1 2 2 -0.18559427311119D-01 0.16118978572405D-16
|
|
1 2 2 2 0.92279021378517D-01 0.99358052033394D-16
|
|
2 2 2 2 -0.73116069842524D+00 -0.34694469519536D-17
|
|
3 2 2 2 0.83543305104764D-01 -0.10898530084285D-15
|
|
1 1 3 2 -0.25580773796987D+00 -0.24199822666030D-15
|
|
2 1 3 2 -0.79378213700054D-01 0.39891355442139D-16
|
|
3 1 3 2 0.33460341589088D-01 0.11050421153999D-15
|
|
1 2 3 2 0.10610670033592D-01 0.11019980094177D-15
|
|
2 2 3 2 0.83543305104764D-01 0.11418947127079D-15
|
|
3 2 3 2 -0.16141925672578D+01 0.69388939039072D-17
|