mirror of https://github.com/abinit/abinit.git
7206 lines
418 KiB
Plaintext
7206 lines
418 KiB
Plaintext
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**** DERIVATIVE DATABASE ****
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+DDB, Version number 20230401
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C diamond EIGR2D file
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usepaw 0
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natom 2
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nkpt 8
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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 0.67034680500000D+01 0.67034680500000D+01 0.67034680500000D+01
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amu 0.12011000000000D+02
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dilatmx 0.10000000000000D+01
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ecut 0.20000000000000D+02
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ecutsm 0.50000000000000D+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 0.00000000000000D+00 0.00000000000000D+00
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0.50000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
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0.50000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
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0.50000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
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0.00000000000000D+00 0.50000000000000D+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 20 20 20
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nspden 1
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nspinor 1
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occ 0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00
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rprim 0.00000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
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0.50000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
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0.50000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
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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 0.12500000000000D+00 0.12500000000000D+00 0.12500000000000D+00
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0.12500000000000D+00 0.12500000000000D+00 0.12500000000000D+00
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0.12500000000000D+00 0.12500000000000D+00
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xred 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.25000000000000D+00 0.25000000000000D+00 0.25000000000000D+00
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znucl 0.60000000000000D+01
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zion 0.40000000000000D+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= 1
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iln lpsang iproj ekb(:)
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1 0 1 4.9214663E+00
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**** Database of total energy derivatives ****
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Number of data blocks= 3
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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 0.00000000E+00 0.00000000E+00
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Band: 1
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1 1 1 1 -0.20746319765449D+01 -0.34694469519536D-17
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2 1 1 1 -0.10783938652837D+01 0.13556345458101D-15
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3 1 1 1 -0.10748758271231D+01 0.23563275962271D-15
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1 2 1 1 0.70264218086248D+00 -0.10165129188601D-15
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2 2 1 1 0.39546381639195D+00 -0.29857182573831D-15
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3 2 1 1 0.39381919478973D+00 -0.18719049932845D-15
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1 1 2 1 -0.10783938652837D+01 -0.13664765675350D-15
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2 1 2 1 -0.20928385359577D+01 0.82399365108898D-17
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3 1 2 1 -0.10785249389964D+01 0.80340770539086D-16
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1 2 2 1 0.39546380493312D+00 0.40338427538358D-16
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2 2 2 1 0.72284330525417D+00 -0.65148111398903D-16
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3 2 2 1 0.39581514957836D+00 -0.78443416825557D-16
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1 1 3 1 -0.10748758271231D+01 -0.22587494007034D-15
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2 1 3 1 -0.10785249389964D+01 -0.81208132277074D-16
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3 1 3 1 -0.20539902795793D+01 0.52041704279304D-17
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1 2 3 1 0.39381952793375D+00 0.14205109367077D-15
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2 2 3 1 0.39581537038854D+00 0.10021507882187D-15
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3 2 3 1 0.67511067645068D+00 0.28379734728085D-15
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1 1 1 2 0.70264218086248D+00 0.10956596774516D-15
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2 1 1 2 0.39546380493312D+00 -0.58498813927490D-16
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3 1 1 2 0.39381952793375D+00 -0.15191733344039D-15
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1 2 1 2 -0.20746323977755D+01 0.10408340855861D-16
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2 2 1 2 -0.10783942041750D+01 0.47292422941434D-16
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3 2 1 2 -0.10748762230185D+01 -0.54345039235802D-17
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1 1 2 2 0.39546381639195D+00 0.27948986750257D-15
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2 1 2 2 0.72284330525417D+00 0.40834877680915D-16
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3 1 2 2 0.39581537038854D+00 -0.99130876649386D-16
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1 2 2 2 -0.10783942041750D+01 -0.34715677740602D-16
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2 2 2 2 -0.20928384370693D+01 0.86736173798840D-18
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3 2 2 2 -0.10785253189548D+01 -0.36639013216589D-16
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1 1 3 2 0.39381919478973D+00 0.22155970819624D-15
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2 1 3 2 0.39581514957836D+00 0.10175376353400D-15
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3 1 3 2 0.67511067645068D+00 -0.30416679559642D-15
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1 2 3 2 -0.10748762230185D+01 0.32322717801221D-16
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2 2 3 2 -0.10785253189548D+01 0.47914715810439D-16
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3 2 3 2 -0.20539903125120D+01 -0.12143064331838D-16
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Band: 2
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1 1 1 1 -0.26515338815602D+02 0.41633363423443D-15
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2 1 1 1 -0.25500111491559D+02 -0.10060941250393D-14
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3 1 1 1 -0.21165756846065D+02 0.19110946363907D-14
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1 2 1 1 -0.88846651948941D+01 -0.59730305366559D-14
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2 2 1 1 -0.59109950019488D+01 -0.16974361896270D-13
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3 2 1 1 -0.56448147042790D+01 -0.16753471458289D-13
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1 1 2 1 -0.25500111491559D+02 0.72853836888306D-15
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2 1 2 1 -0.29891390479167D+02 -0.75633943552589D-15
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3 1 2 1 -0.23824957758504D+02 0.22003843381332D-14
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1 2 2 1 -0.59109950932829D+01 -0.15543609300774D-13
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2 2 2 1 -0.11440179600699D+02 -0.10427408419970D-14
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3 2 2 1 -0.58647185520096D+01 -0.18461119718466D-13
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1 1 3 1 -0.21165756846065D+02 -0.16751722436578D-14
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2 1 3 1 -0.23824957758504D+02 -0.26167179723676D-14
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3 1 3 1 -0.24694161565642D+02 -0.63837823915947D-15
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1 2 3 1 -0.56448147935939D+01 -0.13079132865514D-13
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2 2 3 1 -0.58647187455533D+01 -0.13669906426589D-13
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3 2 3 1 -0.79273779848007D+01 -0.59719584297016D-14
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1 1 1 2 -0.88846651948941D+01 0.72220314393592D-14
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2 1 1 2 -0.59109950932829D+01 0.17875077652486D-13
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3 1 1 2 -0.56448147935939D+01 0.13856288982751D-13
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1 2 1 2 -0.26515336831876D+02 0.56551985316844D-15
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2 2 1 2 -0.25500109409020D+02 -0.15442632854197D-14
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3 2 1 2 -0.21165754976335D+02 0.51989128646403D-14
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1 1 2 2 -0.59109950019488D+01 0.15475560813026D-13
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2 1 2 2 -0.11440179600699D+02 0.29301199838598D-14
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3 1 2 2 -0.58647187455533D+01 0.13239695004547D-13
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1 2 2 2 -0.25500109409020D+02 0.16899800574017D-14
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2 2 2 2 -0.29891389553898D+02 -0.18041124150159D-15
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3 2 2 2 -0.23824955826868D+02 0.59772224782571D-14
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1 1 3 2 -0.56448147042790D+01 0.16142848794745D-13
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2 1 3 2 -0.58647185520096D+01 0.20515032314022D-13
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3 1 3 2 -0.79273779848007D+01 0.58331805516235D-14
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1 2 3 2 -0.21165754976335D+02 -0.51156461377934D-14
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2 2 3 2 -0.23824955826868D+02 -0.70041787760354D-14
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3 2 3 2 -0.24694159592919D+02 -0.59674487573602D-15
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Band: 3
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1 1 1 1 -0.12124764072207D+02 -0.57592819402430D-15
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2 1 1 1 0.72345071893977D+01 0.48981892839663D-14
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3 1 1 1 -0.11579269518523D+02 -0.20260565850512D-14
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1 2 1 1 -0.11777382712690D+02 -0.59007235332110D-14
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2 2 1 1 -0.49597939539440D+01 -0.34225181166491D-14
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3 2 1 1 0.22894367687795D+00 0.30553442765583D-14
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1 1 2 1 0.72345071893977D+01 -0.44887945436357D-14
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2 1 2 1 -0.68501250110137D+01 0.12490009027033D-15
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3 1 2 1 -0.20404401218406D+01 -0.39647962740372D-14
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1 2 2 1 -0.49597942847452D+01 -0.13224497926625D-14
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2 2 2 1 -0.12809105644830D+02 0.85873977886577D-14
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3 2 2 1 -0.20932237061526D+01 -0.13310577148410D-14
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1 1 3 1 -0.11579269518523D+02 0.20529447989288D-14
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2 1 3 1 -0.20404401218406D+01 0.37705072447278D-14
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3 1 3 1 -0.13538676921130D+02 -0.55511151231258D-16
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1 2 3 1 0.22894359464709D+00 -0.16660619806731D-14
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2 2 3 1 -0.20932237554616D+01 -0.25410978823783D-14
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3 2 3 1 -0.25287635650947D+01 -0.22363085402250D-14
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1 1 1 2 -0.11777382712690D+02 0.62077695884589D-14
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2 1 1 2 -0.49597942847452D+01 0.59907010318015D-15
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3 1 1 2 0.22894359464709D+00 0.20919365940254D-14
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1 2 1 2 -0.12124765229144D+02 0.50306980803327D-16
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2 2 1 2 0.72345052703220D+01 -0.51359606519676D-15
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3 2 1 2 -0.11579270281233D+02 -0.24968572595527D-14
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1 1 2 2 -0.49597939539440D+01 0.32386374281956D-14
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2 1 2 2 -0.12809105644830D+02 -0.91147537253546D-14
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3 1 2 2 -0.20932237554616D+01 0.24717089433392D-14
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1 2 2 2 0.72345052703221D+01 0.41471682706608D-15
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2 2 2 2 -0.68501294943930D+01 0.15959455978987D-15
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3 2 2 2 -0.20404408444972D+01 0.24963469652179D-14
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1 1 3 2 0.22894367687795D+00 -0.28792698437466D-14
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2 1 3 2 -0.20932237061526D+01 0.11784020489551D-14
|
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3 1 3 2 -0.25287635650947D+01 0.21565112603301D-14
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1 2 3 2 -0.11579270281233D+02 0.28993131059793D-14
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2 2 3 2 -0.20404408444972D+01 -0.24928775182660D-14
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3 2 3 2 -0.13538676880682D+02 -0.97144514654701D-16
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Band: 4
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1 1 1 1 -0.91676628392193D+01 -0.29490299091606D-15
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2 1 1 1 -0.88632771755857D+01 -0.16290347330970D-14
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3 1 1 1 0.49942661428637D+01 -0.71972971057285D-14
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1 2 1 1 -0.77096701096317D+01 0.44506886847316D-14
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2 2 1 1 -0.31596692911038D-01 -0.32876936107625D-15
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3 2 1 1 -0.48961954674553D+01 0.79814570887498D-14
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1 1 2 1 -0.88632771755857D+01 0.15422985592981D-14
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2 1 2 1 -0.11815680759715D+02 -0.24980018054066D-15
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3 1 2 1 -0.14476738040836D+01 -0.44760858669802D-14
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1 2 2 1 -0.31597146252268D-01 -0.20282969260691D-14
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2 2 2 1 -0.33009075683158D+01 0.24062660922662D-14
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3 2 2 1 -0.27667469012432D+01 0.36181981873746D-14
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1 1 3 1 0.49942661428637D+01 0.68121884940617D-14
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2 1 3 1 -0.14476738040836D+01 0.43095524132865D-14
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3 1 3 1 -0.83838369842448D+01 -0.31918911957973D-15
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1 2 3 1 -0.48961958999134D+01 -0.41370278802392D-14
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2 2 3 1 -0.27667457312271D+01 -0.16329660897375D-14
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3 2 3 1 -0.19208657880259D+02 -0.26098992057794D-14
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1 1 1 2 -0.77096701096317D+01 -0.51029447116989D-14
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2 1 1 2 -0.31597146252268D-01 0.17576800638167D-14
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3 1 1 2 -0.48961958999134D+01 0.40138625134449D-14
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1 2 1 2 -0.91676630643739D+01 0.20816681711722D-16
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2 2 1 2 -0.88632774930558D+01 0.22109047705581D-15
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3 2 1 2 0.49942652944299D+01 -0.69931590695028D-14
|
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1 1 2 2 -0.31596692911037D-01 0.92846968343400D-16
|
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2 1 2 2 -0.33009075683158D+01 -0.28304059821426D-14
|
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3 1 2 2 -0.27667457312271D+01 0.14421465073800D-14
|
|
1 2 2 2 -0.88632774930559D+01 -0.23496826486363D-15
|
|
2 2 2 2 -0.11815681156378D+02 -0.65919492087119D-16
|
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3 2 2 2 -0.14476747831566D+01 -0.21266972278820D-14
|
|
1 1 3 2 -0.48961954674553D+01 -0.77594124838248D-14
|
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2 1 3 2 -0.27667469012432D+01 -0.42843320021497D-14
|
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3 1 3 2 -0.19208657880259D+02 -0.45535717627159D-15
|
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1 2 3 2 0.49942652944299D+01 0.73643898933618D-14
|
|
2 2 3 2 -0.14476747831566D+01 0.21405750156898D-14
|
|
3 2 3 2 -0.83838411823606D+01 -0.49960036108132D-15
|
|
Band: 5
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1 1 1 1 -0.20010732004114D+02 0.22204460492503D-15
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2 1 1 1 -0.76091858127419D+01 -0.68858957417048D-15
|
|
3 1 1 1 -0.33944698080351D+01 -0.67538667899517D-15
|
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1 2 1 1 0.66775219484212D+01 0.10400042040564D-13
|
|
2 2 1 1 0.16957588046674D+01 0.86139975672187D-15
|
|
3 2 1 1 0.37445175285198D+01 0.43116581387165D-14
|
|
1 1 2 1 -0.76091858127419D+01 0.53593390828452D-15
|
|
2 1 2 1 -0.15250640819292D+02 -0.16653345369377D-15
|
|
3 1 2 1 -0.63116128285814D+01 -0.92618489749905D-15
|
|
1 2 2 1 0.16957575039046D+01 0.14445590295331D-14
|
|
2 2 2 1 0.43178422287500D+01 0.56511340159167D-14
|
|
3 2 2 1 0.24301187073537D+01 0.13195464847929D-14
|
|
1 1 3 1 -0.33944698080351D+01 0.78641803259147D-16
|
|
2 1 3 1 -0.63116128285814D+01 0.73189586818965D-15
|
|
3 1 3 1 -0.40089738698466D+02 0.12212453270877D-14
|
|
1 2 3 1 0.37445193880497D+01 0.28042118491294D-14
|
|
2 2 3 1 0.24301217931766D+01 0.22504756421690D-14
|
|
3 2 3 1 0.12649404523239D+02 -0.87526689766451D-14
|
|
1 1 1 2 0.66775219484212D+01 -0.10094730708792D-13
|
|
2 1 1 2 0.16957575039046D+01 -0.13682311965901D-14
|
|
3 1 1 2 0.37445193880497D+01 -0.18674611721019D-14
|
|
1 2 1 2 -0.20010733965288D+02 -0.11102230246252D-15
|
|
2 2 1 2 -0.76091875799868D+01 0.45184411337598D-15
|
|
3 2 1 2 -0.33944724802414D+01 0.73530053581010D-15
|
|
1 1 2 2 0.16957588046674D+01 -0.86833865062578D-15
|
|
2 1 2 2 0.43178422287500D+01 -0.51792892304510D-14
|
|
3 1 2 2 0.24301217931765D+01 -0.19174087347815D-14
|
|
1 2 2 2 -0.76091875799868D+01 -0.46572190118380D-15
|
|
2 2 2 2 -0.15250640670679D+02 -0.10148132334464D-15
|
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3 2 2 2 -0.63116160159949D+01 0.22604386484110D-15
|
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1 1 3 2 0.37445175285198D+01 -0.41728802606383D-14
|
|
2 1 3 2 0.24301187073537D+01 -0.11252574554835D-14
|
|
3 1 3 2 0.12649404523239D+02 0.86138910985670D-14
|
|
1 2 3 2 -0.33944724802414D+01 -0.45774477965381D-15
|
|
2 2 3 2 -0.63116160159949D+01 -0.36482174291924D-15
|
|
3 2 3 2 -0.40089740637935D+02 -0.47184478546569D-15
|
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Band: 6
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1 1 1 1 -0.28948403001085D+02 -0.10824674490095D-14
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2 1 1 1 -0.95182704106151D+00 -0.12325436262322D-14
|
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3 1 1 1 -0.96790479367203D+01 0.42657296891428D-15
|
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1 2 1 1 0.84086110920503D+01 -0.48342960118892D-14
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2 2 1 1 0.34718360991793D+01 0.10944340023174D-14
|
|
3 2 1 1 0.11972865130516D+01 0.13119051619540D-14
|
|
1 1 2 1 -0.95182704106151D+00 0.17460217751214D-14
|
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2 1 2 1 -0.28165729629743D+02 -0.31225022567583D-16
|
|
3 1 2 1 -0.50006855770428D+01 -0.49001208357053D-15
|
|
1 2 2 1 0.34718362437151D+01 -0.30836989132285D-15
|
|
2 2 2 1 0.93835700186858D+01 0.62625125589103D-14
|
|
3 2 2 1 0.24220448583634D+01 0.17473320968495D-14
|
|
1 1 3 1 -0.96790479367203D+01 -0.56882029394438D-15
|
|
2 1 3 1 -0.50006855770428D+01 0.43450093233927D-15
|
|
3 1 3 1 -0.15836815765796D+02 0.13877787807814D-15
|
|
1 2 3 1 0.11972864767966D+01 0.84496327049762D-15
|
|
2 2 3 1 0.24220443747428D+01 0.13477891853165D-14
|
|
3 2 3 1 0.40150153263807D+01 -0.10898308363752D-14
|
|
1 1 1 2 0.84086110920503D+01 0.40710176824595D-14
|
|
2 1 1 2 0.34718362437151D+01 -0.57980852837728D-15
|
|
3 1 1 2 0.11972864767966D+01 -0.52577415091789D-15
|
|
1 2 1 2 -0.28948404729261D+02 0.11102230246252D-15
|
|
2 2 1 2 -0.95182891495518D+00 -0.20692696715638D-16
|
|
3 2 1 2 -0.96790492606910D+01 -0.77828302904519D-15
|
|
1 1 2 2 0.34718360991793D+01 -0.91402276081585D-15
|
|
2 1 2 2 0.93835700186858D+01 -0.63041459223337D-14
|
|
3 1 2 2 0.24220443747428D+01 -0.39022182657733D-15
|
|
1 2 2 2 -0.95182891495519D+00 0.46478190656570D-15
|
|
2 2 2 2 -0.28165730442784D+02 0.22724877535296D-15
|
|
3 2 2 2 -0.50006867689458D+01 -0.85432133944515D-15
|
|
1 1 3 2 0.11972865130516D+01 -0.22070224755580D-14
|
|
2 1 3 2 0.24220448583634D+01 -0.12893650991916D-14
|
|
3 1 3 2 0.40150153263807D+01 0.56247489967824D-15
|
|
1 2 3 2 -0.96790492606910D+01 0.58572872321176D-15
|
|
2 2 3 2 -0.50006867689458D+01 0.76411571869435D-15
|
|
3 2 3 2 -0.15836815822201D+02 0.76327832942980D-16
|
|
Band: 7
|
|
1 1 1 1 -0.43416784458915D+02 0.29143354396410D-15
|
|
2 1 1 1 -0.36572223387024D+02 -0.11709582853408D-14
|
|
3 1 1 1 -0.32024168423758D+02 -0.51628923352881D-14
|
|
1 2 1 1 0.90331123759087D+01 -0.40985394740413D-14
|
|
2 2 1 1 0.57872657921740D+01 -0.43404784414368D-14
|
|
3 2 1 1 0.59725335585006D+01 0.44016743020760D-15
|
|
1 1 2 1 -0.36572223387024D+02 0.22811813099659D-14
|
|
2 1 2 1 -0.48253369383923D+02 0.12212453270877D-14
|
|
3 1 2 1 -0.33683996299594D+02 -0.34502921744280D-14
|
|
1 2 2 1 0.57872660003322D+01 -0.23211574626552D-15
|
|
2 2 2 1 0.96960949025270D+01 -0.19349736064930D-14
|
|
3 2 2 1 0.59651724684068D+01 0.27987414871885D-14
|
|
1 1 3 1 -0.32024168423758D+02 0.71335382039978D-14
|
|
2 1 3 1 -0.33683996299594D+02 0.57540049505253D-14
|
|
3 1 3 1 -0.37312678255793D+02 0.10685896612017D-14
|
|
1 2 3 1 0.59725347592896D+01 -0.97457006526658D-14
|
|
2 2 3 1 0.59651727423547D+01 -0.87692837865986D-14
|
|
3 2 3 1 0.83455236688530D+01 -0.39274475593616D-14
|
|
1 1 1 2 0.90331123759087D+01 0.55140738304384D-14
|
|
2 1 1 2 0.57872660003322D+01 -0.45440009890771D-16
|
|
3 1 1 2 0.59725347592896D+01 0.11397157401796D-13
|
|
1 2 1 2 -0.43416784914523D+02 -0.19428902930940D-15
|
|
2 2 1 2 -0.36572223548640D+02 -0.82340178650821D-15
|
|
3 2 1 2 -0.32024168606556D+02 -0.21627424974466D-14
|
|
1 1 2 2 0.57872657921740D+01 0.51176345586744D-14
|
|
2 1 2 2 0.96960949025270D+01 -0.27853354885337D-15
|
|
3 1 2 2 0.59651727423547D+01 0.91370451635057D-14
|
|
1 2 2 2 -0.36572223548640D+02 0.57360160596755D-15
|
|
2 2 2 2 -0.48253367866414D+02 0.27755575615629D-16
|
|
3 2 2 2 -0.33683996264708D+02 -0.33415061679185D-14
|
|
1 1 3 2 0.59725335585006D+01 -0.11063012449827D-14
|
|
2 1 3 2 0.59651724684068D+01 -0.55742990487514D-14
|
|
3 1 3 2 0.83455236688530D+01 0.32335581689708D-14
|
|
1 2 3 2 -0.32024168606556D+02 0.40084882758859D-14
|
|
2 2 3 2 -0.33683996264708D+02 0.37786564838647D-14
|
|
3 2 3 2 -0.37312677276627D+02 0.11102230246252D-14
|
|
Band: 8
|
|
1 1 1 1 -0.56946256887103D+00 0.10408340855861D-16
|
|
2 1 1 1 0.79184472291576D+00 0.73860298901796D-15
|
|
3 1 1 1 0.58109474265410D+00 0.87552147450935D-15
|
|
1 2 1 1 -0.26657843954008D+01 -0.13716498506279D-15
|
|
2 2 1 1 -0.25717030299380D+01 -0.42803377853162D-15
|
|
3 2 1 1 -0.23491135488066D+01 -0.41011230867963D-15
|
|
1 1 2 1 0.79184472291576D+00 -0.70390851949842D-15
|
|
2 1 2 1 -0.12387524010170D+00 -0.69388939039072D-17
|
|
3 1 2 1 0.59632125263721D+00 0.31610309624642D-15
|
|
1 2 2 1 -0.25717027279076D+01 0.37454148648839D-15
|
|
2 2 2 1 -0.31839280356221D+01 0.74680681960667D-15
|
|
3 2 2 1 -0.23760024262645D+01 0.69915323768883D-15
|
|
1 1 3 1 0.58109474265410D+00 -0.93276734921659D-15
|
|
2 1 3 1 0.59632125263721D+00 -0.55202548897926D-15
|
|
3 1 3 1 -0.13832499921529D+01 -0.34694469519536D-17
|
|
1 2 3 1 -0.23491122808634D+01 0.53618471074448D-15
|
|
2 2 3 1 -0.23760018393922D+01 0.10757524304893D-15
|
|
3 2 3 1 -0.17634176044413D+01 0.11010973758156D-14
|
|
1 1 1 2 -0.26657843954008D+01 0.71245492975676D-16
|
|
2 1 1 2 -0.25717027279076D+01 -0.27739697183369D-15
|
|
3 1 1 2 -0.23491122808634D+01 -0.54312360464838D-15
|
|
1 2 1 2 -0.56946579159959D+00 -0.43368086899423D-18
|
|
2 2 1 2 0.79184217230055D+00 0.15412801563972D-15
|
|
3 2 1 2 0.58109266053510D+00 -0.14898700719916D-15
|
|
1 1 2 2 -0.25717030299380D+01 0.74722289811136D-15
|
|
2 1 2 2 -0.31839280356221D+01 -0.12030390937886D-14
|
|
3 1 2 2 -0.23760018393922D+01 -0.43370325653257D-15
|
|
1 2 2 2 0.79184217230055D+00 -0.22351695467879D-15
|
|
2 2 2 2 -0.12387571745832D+00 0.34694469519536D-17
|
|
3 2 2 2 0.59631967117096D+00 -0.27901468425507D-15
|
|
1 1 3 2 -0.23491135488066D+01 0.20888438546632D-15
|
|
2 1 3 2 -0.23760024262645D+01 -0.81841547666224D-15
|
|
3 1 3 2 -0.17634176044413D+01 -0.74894851019227D-15
|
|
1 2 3 2 0.58109266053509D+00 0.51842492544455D-16
|
|
2 2 3 2 0.59631967117096D+00 0.47677316051643D-15
|
|
3 2 3 2 -0.13832506687086D+01 0.48572257327351D-16
|
|
K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.64173226888781D+01 0.11102230246252D-15
|
|
2 1 1 1 -0.19986869944377D+01 0.10792897983415D-15
|
|
3 1 1 1 -0.19722109020229D+01 0.28118378055384D-15
|
|
1 2 1 1 0.21632556018675D+01 -0.15806294904146D-14
|
|
2 2 1 1 0.95135016585829D+00 -0.80372158484580D-17
|
|
3 2 1 1 0.92139329296690D+00 -0.25977783360706D-15
|
|
1 1 2 1 -0.19986869944377D+01 -0.36371636450104D-16
|
|
2 1 2 1 -0.39609936186040D+01 -0.13877787807814D-16
|
|
3 1 2 1 -0.20350698519336D+01 0.11421870566416D-15
|
|
1 2 2 1 0.95134894382389D+00 0.43112583518411D-15
|
|
2 2 2 1 0.18629986191687D+01 0.75322146346740D-15
|
|
3 2 2 1 0.99104861278330D+00 0.61251615114736D-16
|
|
1 1 3 1 -0.19722109020229D+01 -0.20702435195583D-15
|
|
2 1 3 1 -0.20350698519336D+01 -0.16192360125352D-15
|
|
3 1 3 1 -0.38815652053177D+01 -0.11275702593849D-16
|
|
1 2 3 1 0.92139335740783D+00 0.61620093390256D-15
|
|
2 2 3 1 0.99104902466005D+00 0.70352095715801D-15
|
|
3 2 3 1 0.17731305434344D+01 0.56124012724141D-15
|
|
1 1 1 2 0.21632556018675D+01 0.17384893267285D-14
|
|
2 1 1 2 0.95134894382389D+00 -0.27500072234619D-15
|
|
3 1 1 2 0.92139335740783D+00 -0.71594753377123D-15
|
|
1 2 1 2 -0.64173253033123D+01 -0.58980598183211D-16
|
|
2 2 1 2 -0.19986894938311D+01 0.33762918187016D-15
|
|
3 2 1 2 -0.19722127922002D+01 0.58431175881120D-15
|
|
1 1 2 2 0.95135016585829D+00 0.49670579271901D-16
|
|
2 1 2 2 0.18629986191687D+01 -0.81220206165061D-15
|
|
3 1 2 2 0.99104902466005D+00 -0.81454325962053D-15
|
|
1 2 2 2 -0.19986894938311D+01 -0.43824314347681D-15
|
|
2 2 2 2 -0.39609934341039D+01 0.55511151231258D-16
|
|
3 2 2 2 -0.20350705840852D+01 0.59547974856182D-15
|
|
1 1 3 2 0.92139329296690D+00 0.21814447018361D-15
|
|
2 1 3 2 0.99104861278330D+00 -0.47373827306921D-16
|
|
3 1 3 2 0.17731305434344D+01 -0.54215816900566D-15
|
|
1 2 3 2 -0.19722127922002D+01 -0.94041796236406D-15
|
|
2 2 3 2 -0.20350705840852D+01 -0.54387172515151D-15
|
|
3 2 3 2 -0.38815651815688D+01 -0.82399365108899D-17
|
|
Band: 2
|
|
1 1 1 1 -0.15633467798080D+02 -0.97144514654701D-16
|
|
2 1 1 1 -0.27404180040752D+01 0.11244600184026D-15
|
|
3 1 1 1 -0.27389915772282D+01 0.51954163924947D-15
|
|
1 2 1 1 0.29272196023494D+01 0.10439952942865D-15
|
|
2 2 1 1 -0.98700349519646D-01 0.37384260828640D-15
|
|
3 2 1 1 -0.96717565051727D-01 -0.47131399384324D-15
|
|
1 1 2 1 -0.27404180040752D+01 -0.56934850609005D-16
|
|
2 1 2 1 -0.54788021229276D+01 0.27755575615629D-16
|
|
3 1 2 1 -0.27424503389407D+01 -0.38024916769642D-16
|
|
1 2 2 1 -0.98700856356731D-01 -0.30853983275798D-15
|
|
2 2 2 1 -0.19483748213356D+00 -0.26906458252723D-15
|
|
3 2 2 1 -0.10126491275305D+00 -0.42361696742665D-16
|
|
1 1 3 1 -0.27389915772282D+01 -0.64574277212678D-15
|
|
2 1 3 1 -0.27424503389407D+01 -0.19220957937592D-16
|
|
3 1 3 1 -0.54745231215011D+01 -0.56378512969246D-16
|
|
1 2 3 1 -0.96717502512575D-01 -0.51860690306978D-15
|
|
2 2 3 1 -0.10126466356867D+00 -0.14963110873996D-15
|
|
3 2 3 1 -0.18888729128253D+00 -0.37661287364436D-15
|
|
1 1 1 2 0.29272196023494D+01 0.10723673464052D-15
|
|
2 1 1 2 -0.98700856356731D-01 0.37922970505602D-16
|
|
3 1 1 2 -0.96717502512574D-01 0.20028514522803D-15
|
|
1 2 1 2 -0.15633467496707D+02 0.47184478546569D-15
|
|
2 2 1 2 -0.27404176433073D+01 -0.48272011766547D-15
|
|
3 2 1 2 -0.27389911602370D+01 0.11229157170835D-14
|
|
1 1 2 2 -0.98700349519646D-01 -0.26117844273625D-17
|
|
2 1 2 2 -0.19483748213356D+00 0.85183894073692D-16
|
|
3 1 2 2 -0.10126466356867D+00 0.33004235024155D-15
|
|
1 2 2 2 -0.27404176433073D+01 -0.16880243415851D-16
|
|
2 2 2 2 -0.54788019581188D+01 0.30878077872387D-15
|
|
3 2 2 2 -0.27424505930001D+01 -0.44787010594452D-16
|
|
1 1 3 2 -0.96717565051727D-01 0.61984969147375D-15
|
|
2 1 3 2 -0.10126491275305D+00 0.22797710867218D-15
|
|
3 1 3 2 -0.18888729128253D+00 0.20487524952266D-15
|
|
1 2 3 2 -0.27389911602370D+01 -0.62548376034717D-15
|
|
2 2 3 2 -0.27424505930001D+01 0.62134245354221D-16
|
|
3 2 3 2 -0.54745231999731D+01 -0.15265566588596D-15
|
|
Band: 3
|
|
1 1 1 1 -0.20536617666925D+02 -0.97144514654701D-16
|
|
2 1 1 1 -0.18173672093277D+02 0.12806845294102D-14
|
|
3 1 1 1 -0.18291105853575D+02 -0.28643111257055D-14
|
|
1 2 1 1 -0.45304604173407D+00 -0.92467504277523D-15
|
|
2 2 1 1 -0.46404526236394D+01 0.15514454614007D-14
|
|
3 2 1 1 -0.85470277329863D-01 -0.55277988235624D-14
|
|
1 1 2 1 -0.18173672093277D+02 -0.23562130845158D-14
|
|
2 1 2 1 -0.26292422723217D+02 -0.10130785099705D-14
|
|
3 1 2 1 -0.28181604738264D+02 -0.92526543999633D-14
|
|
1 2 2 1 -0.46404534574768D+01 -0.10247030566791D-14
|
|
2 2 2 1 -0.15234090777269D+02 0.11063980504891D-13
|
|
3 2 2 1 -0.30516409095882D+00 -0.12383773710715D-13
|
|
1 1 3 1 -0.18291105853575D+02 0.29579861934083D-14
|
|
2 1 3 1 -0.28181604738264D+02 0.97869492305642D-14
|
|
3 1 3 1 -0.26596978914449D+02 0.48572257327351D-15
|
|
1 2 3 1 -0.85470054032754D-01 -0.52055226517114D-14
|
|
2 2 3 1 -0.30516355325796D+00 -0.14781165106501D-13
|
|
3 2 3 1 -0.27613291017552D+01 -0.17618240753901D-14
|
|
1 1 1 2 -0.45304604173407D+00 0.74773324822559D-15
|
|
2 1 1 2 -0.46404534574768D+01 0.14896089482409D-14
|
|
3 1 1 2 -0.85470054032755D-01 0.52484299526875D-14
|
|
1 2 1 2 -0.20536617670222D+02 -0.33306690738755D-15
|
|
2 2 1 2 -0.18173672483760D+02 -0.41849359056047D-14
|
|
3 2 1 2 -0.18291105453527D+02 -0.12363074203016D-14
|
|
1 1 2 2 -0.46404526236394D+01 -0.13692994964231D-14
|
|
2 1 2 2 -0.15234090777269D+02 -0.11022347141468D-13
|
|
3 1 2 2 -0.30516355325796D+00 0.15030965287042D-13
|
|
1 2 2 2 -0.18173672483760D+02 0.59612927450049D-14
|
|
2 2 2 2 -0.26292424998537D+02 -0.12212453270877D-14
|
|
3 2 2 2 -0.28181603931609D+02 0.82253385216972D-14
|
|
1 1 3 2 -0.85470277329863D-01 0.53543264759647D-14
|
|
2 1 3 2 -0.30516409095883D+00 0.14860958834410D-13
|
|
3 1 3 2 -0.27613291017552D+01 -0.42288339625794D-16
|
|
1 2 3 2 -0.18291105453527D+02 0.49756562733462D-16
|
|
2 2 3 2 -0.28181603931609D+02 -0.82253385216972D-14
|
|
3 2 3 2 -0.26596978325059D+02 -0.49266146717741D-15
|
|
Band: 4
|
|
1 1 1 1 -0.97999258209988D+01 -0.22898349882894D-15
|
|
2 1 1 1 0.15378349110212D-01 0.15903362620392D-14
|
|
3 1 1 1 -0.11241550063661D+01 -0.64992506554870D-14
|
|
1 2 1 1 -0.36175516248473D+01 0.14622734265969D-14
|
|
2 2 1 1 -0.55062827713241D+01 -0.42548804764031D-14
|
|
3 2 1 1 -0.88459031684414D+01 0.71876656617872D-15
|
|
1 1 2 1 0.15378349110213D-01 -0.16458474132705D-14
|
|
2 1 2 1 -0.66513015491049D+01 -0.40245584642662D-15
|
|
3 1 2 1 0.11709742067320D+02 -0.15968934344010D-13
|
|
1 2 2 1 -0.55062834227952D+01 0.25037816026682D-14
|
|
2 2 2 1 -0.83529215981223D+01 -0.27835478871802D-14
|
|
3 2 2 1 -0.11488342666355D+02 0.86561922687405D-14
|
|
1 1 3 1 -0.11241550063661D+01 0.63322835209242D-14
|
|
2 1 3 1 0.11709742067320D+02 0.15653648352252D-13
|
|
3 1 3 1 -0.63467466061725D+01 -0.11210650463500D-15
|
|
1 2 3 1 -0.88459035249367D+01 -0.48400058410545D-14
|
|
2 2 3 1 -0.11488341569654D+02 -0.21286364200538D-13
|
|
3 2 3 1 -0.20825682996079D+02 -0.14663834117217D-13
|
|
1 1 1 2 -0.36175516248473D+01 -0.79960905877379D-15
|
|
2 1 1 2 -0.55062834227952D+01 -0.34093072571281D-14
|
|
3 1 1 2 -0.88459035249367D+01 0.56518564278116D-14
|
|
1 2 1 2 -0.97999256935302D+01 0.38857805861880D-15
|
|
2 2 1 2 0.15377558468233D-01 0.43761009650101D-14
|
|
3 2 1 2 -0.11241558748904D+01 0.99573774214140D-15
|
|
1 1 2 2 -0.55062827713241D+01 0.36720133884749D-14
|
|
2 1 2 2 -0.83529215981223D+01 0.28251812506036D-14
|
|
3 1 2 2 -0.11488341569654D+02 0.21175341898075D-13
|
|
1 2 2 2 0.15377558468233D-01 -0.44871232674726D-14
|
|
2 2 2 2 -0.66513036772466D+01 -0.55511151231258D-15
|
|
3 2 2 2 0.11709739494256D+02 -0.11060438866716D-13
|
|
1 1 3 2 -0.88459031684414D+01 -0.14542893199929D-14
|
|
2 1 3 2 -0.11488342666355D+02 -0.79432209201141D-14
|
|
3 1 3 2 -0.20825682996079D+02 0.14501203791344D-13
|
|
1 2 3 2 -0.11241558748904D+01 -0.17989147115187D-14
|
|
2 2 3 2 0.11709739494256D+02 0.11178400063082D-13
|
|
3 2 3 2 -0.63467503626248D+01 0.46490589156178D-15
|
|
Band: 5
|
|
1 1 1 1 0.11709405447498D+02 -0.43368086899415D-17
|
|
2 1 1 1 0.11672594836649D+02 -0.24708262169542D-13
|
|
3 1 1 1 0.27136894567137D+02 0.35698923524021D-13
|
|
1 2 1 1 -0.22430643455702D+02 0.14009839527688D-13
|
|
2 2 1 1 -0.14531611798833D+02 0.93044957176594D-14
|
|
3 2 1 1 -0.34522470469509D+02 0.25676095492861D-13
|
|
1 1 2 1 0.11672594836649D+02 0.25010104054362D-13
|
|
2 1 2 1 -0.22333723624232D+01 -0.30531133177192D-15
|
|
3 1 2 1 0.23838086513143D+02 0.58602388535616D-13
|
|
1 2 2 1 -0.14531610293095D+02 -0.65839910464848D-14
|
|
2 2 2 1 -0.88292014248937D+01 -0.12534877895489D-14
|
|
3 2 2 1 -0.22331315474541D+02 -0.75331223932873D-14
|
|
1 1 3 1 0.27136894567137D+02 -0.35790863868248D-13
|
|
2 1 3 1 0.23838086513143D+02 -0.58546877384385D-13
|
|
3 1 3 1 0.30044525897840D+02 0.67480743215498D-15
|
|
1 2 3 1 -0.34522473641688D+02 0.47261255382203D-13
|
|
2 2 3 1 -0.22331320922300D+02 0.27352140739768D-13
|
|
3 2 3 1 -0.55714447162340D+02 0.80187270083523D-13
|
|
1 1 1 2 -0.22430643455702D+02 -0.14178975066595D-13
|
|
2 1 1 2 -0.14531610293095D+02 0.65978688342926D-14
|
|
3 1 1 2 -0.34522473641688D+02 -0.46943800986099D-13
|
|
1 2 1 2 0.11709413775402D+02 0.24980018054066D-15
|
|
2 2 1 2 0.11672602523191D+02 0.10828448090050D-13
|
|
3 2 1 2 0.27136901876447D+02 -0.15260368362798D-13
|
|
1 1 2 2 -0.14531611798833D+02 -0.87702008870586D-14
|
|
2 1 2 2 -0.88292014248937D+01 0.17149242341587D-14
|
|
3 1 2 2 -0.22331320922300D+02 -0.26769273651840D-13
|
|
1 2 2 2 0.11672602523191D+02 -0.11383559602362D-13
|
|
2 2 2 2 -0.22333636075255D+01 -0.49960036108132D-15
|
|
3 2 2 2 0.23838092774244D+02 -0.21356937671618D-13
|
|
1 1 3 2 -0.34522470469509D+02 -0.26800196305294D-13
|
|
2 1 3 2 -0.22331315474541D+02 0.74984279237678D-14
|
|
3 1 3 2 -0.55714447162340D+02 -0.81380759834995D-13
|
|
1 2 3 2 0.27136901876447D+02 0.14996690394449D-13
|
|
2 2 3 2 0.23838092774244D+02 0.22196543833990D-13
|
|
3 2 3 2 0.30044530933808D+02 -0.15161483180037D-14
|
|
Band: 6
|
|
1 1 1 1 -0.13392487239504D+02 -0.72511441295831D-15
|
|
2 1 1 1 -0.41458799612954D+01 0.52421373281680D-14
|
|
3 1 1 1 -0.14495431209924D+02 0.88193414521456D-15
|
|
1 2 1 1 -0.81349924352739D+01 -0.46765057199868D-14
|
|
2 2 1 1 -0.18473611691082D+02 -0.45793966021938D-14
|
|
3 2 1 1 -0.35868678301424D+01 -0.19184927381867D-14
|
|
1 1 2 1 -0.41458799612954D+01 -0.79378976098360D-14
|
|
2 1 2 1 0.75308094937571D+01 -0.10963452368173D-14
|
|
3 1 2 1 -0.21189370149043D+02 0.42596477581112D-15
|
|
1 2 2 1 -0.18473611895340D+02 -0.12208343481988D-13
|
|
2 2 2 1 -0.47453917228093D+02 0.57146923482894D-15
|
|
3 2 2 1 -0.58102430496045D+01 -0.62975150157444D-14
|
|
1 1 3 1 -0.14495431209924D+02 -0.13086761203049D-14
|
|
2 1 3 1 -0.21189370149043D+02 -0.92897868423568D-16
|
|
3 1 3 1 -0.24747091326556D+02 0.40939474033053D-15
|
|
1 2 3 1 -0.35868656614996D+01 -0.18052282436176D-14
|
|
2 2 3 1 -0.58102412465153D+01 0.70710080212225D-14
|
|
3 2 3 1 -0.56866981265942D+00 -0.33666371153120D-15
|
|
1 1 1 2 -0.81349924352740D+01 0.45411972888606D-14
|
|
2 1 1 2 -0.18473611895340D+02 0.11627211117535D-13
|
|
3 1 1 2 -0.35868656614996D+01 0.25823843608552D-14
|
|
1 2 1 2 -0.13392488014593D+02 0.14432899320127D-14
|
|
2 2 1 2 -0.41458810729680D+01 -0.17264261295023D-13
|
|
3 2 1 2 -0.14495431833340D+02 0.17903428129885D-14
|
|
1 1 2 2 -0.18473611691082D+02 0.31777400336046D-14
|
|
2 1 2 2 -0.47453917228093D+02 -0.15706699569916D-14
|
|
3 1 2 2 -0.58102412465153D+01 -0.65436520845256D-14
|
|
1 2 2 2 -0.41458810729679D+01 0.16043015967936D-13
|
|
2 2 2 2 0.75308052791853D+01 0.14988010832440D-14
|
|
3 2 2 2 -0.21189368172574D+02 0.59153324173643D-14
|
|
1 1 3 2 -0.35868678301424D+01 0.90541422821623D-15
|
|
2 1 3 2 -0.58102430496045D+01 0.40909467543019D-14
|
|
3 1 3 2 -0.56866981265942D+00 -0.39538959533101D-15
|
|
1 2 3 2 -0.14495431833340D+02 -0.76436018723419D-16
|
|
2 2 3 2 -0.21189368172574D+02 -0.56447155551119D-14
|
|
3 2 3 2 -0.24747090634544D+02 0.99573127521069D-15
|
|
Band: 7
|
|
1 1 1 1 -0.63740123913930D+01 0.22204460492503D-15
|
|
2 1 1 1 -0.62509915636461D+01 -0.30634008864494D-15
|
|
3 1 1 1 -0.40008351434019D+01 -0.56270495164254D-15
|
|
1 2 1 1 0.21708425448269D+01 -0.19454053510201D-14
|
|
2 2 1 1 0.53304610636505D+01 -0.70824269522305D-16
|
|
3 2 1 1 0.31294458193342D+01 -0.38069574055025D-15
|
|
1 1 2 1 -0.62509915636461D+01 0.30634008864494D-15
|
|
2 1 2 1 -0.10347202149203D+02 0.83266726846887D-16
|
|
3 1 2 1 -0.84057716401669D+01 0.11450325707841D-14
|
|
1 2 2 1 0.53304596002843D+01 -0.11109557637347D-14
|
|
2 2 2 1 0.85723930435454D+01 -0.16429055412899D-14
|
|
3 2 2 1 0.74189873020732D+01 -0.73817332076052D-15
|
|
1 1 3 1 -0.40008351434019D+01 0.31879567993641D-16
|
|
2 1 3 1 -0.84057716401669D+01 -0.13766181548270D-14
|
|
3 1 3 1 -0.35967340835061D+01 0.50306980803327D-16
|
|
1 2 3 1 0.31294468449599D+01 -0.16912591632807D-14
|
|
2 2 3 1 0.74189891109346D+01 -0.12567149961267D-14
|
|
3 2 3 1 0.19693499566923D+01 -0.62970596440737D-15
|
|
1 1 1 2 0.21708425448269D+01 0.13625382630919D-14
|
|
2 1 1 2 0.53304596002843D+01 0.10467709951236D-14
|
|
3 1 1 2 0.31294468449599D+01 0.23209637850603D-14
|
|
1 2 1 2 -0.63740116431278D+01 0.23245294578089D-15
|
|
2 2 1 2 -0.62509905917321D+01 0.10428940030087D-14
|
|
3 2 1 2 -0.40008353756862D+01 -0.12274039025781D-14
|
|
1 1 2 2 0.53304610636505D+01 0.54266905498800D-15
|
|
2 1 2 2 0.85723930435454D+01 0.15735166022508D-14
|
|
3 1 2 2 0.74189891109346D+01 0.10416092851056D-14
|
|
1 2 2 2 -0.62509905917321D+01 -0.82084939808369D-15
|
|
2 2 2 2 -0.10347201181301D+02 0.83266726846887D-16
|
|
3 2 2 2 -0.84057727433305D+01 -0.83479920507076D-15
|
|
1 1 3 2 0.31294458193342D+01 0.29742901370336D-15
|
|
2 1 3 2 0.74189873020732D+01 0.71215246862087D-15
|
|
3 1 3 2 0.19693499566923D+01 0.68001294521070D-15
|
|
1 2 3 2 -0.40008353756862D+01 0.17712397122968D-14
|
|
2 2 3 2 -0.84057727433305D+01 0.11643966655063D-14
|
|
3 2 3 2 -0.35967326256328D+01 0.14918621893401D-15
|
|
Band: 8
|
|
1 1 1 1 -0.23686836728123D+02 0.83266726846887D-16
|
|
2 1 1 1 -0.57576773372572D+01 -0.12447051472472D-15
|
|
3 1 1 1 -0.57934978675731D+01 0.38867098741779D-14
|
|
1 2 1 1 -0.82253753505805D+01 0.22304750489467D-14
|
|
2 2 1 1 0.83706980154305D+00 0.30316288733459D-14
|
|
3 2 1 1 0.80082950177074D+00 0.21164570239530D-14
|
|
1 1 2 1 -0.57576773372572D+01 -0.12346853287031D-14
|
|
2 1 2 1 -0.11549415396523D+02 -0.13877787807814D-15
|
|
3 1 2 1 -0.57236162078490D+01 -0.55516623455882D-15
|
|
1 2 2 1 0.83707091651212D+00 -0.16963869705919D-14
|
|
2 2 2 1 0.16395134786717D+01 0.52739283303368D-15
|
|
3 2 2 1 0.87169716790529D+00 0.45536824176811D-15
|
|
1 1 3 1 -0.57934978675731D+01 -0.57241615059977D-14
|
|
2 1 3 1 -0.57236162078490D+01 0.84188810831115D-16
|
|
3 1 3 1 -0.11656864549209D+02 -0.43368086899420D-16
|
|
1 2 3 1 0.80083883765794D+00 0.75938255326180D-14
|
|
2 2 3 1 0.87169743285321D+00 0.69101369798489D-15
|
|
3 2 3 1 0.15308045564176D+01 0.82537835789355D-16
|
|
1 1 1 2 -0.82253753505805D+01 -0.30076311661843D-14
|
|
2 1 1 2 0.83707091651212D+00 0.12245421851262D-14
|
|
3 1 1 2 0.80083883765794D+00 -0.80916911702234D-14
|
|
1 2 1 2 -0.23686836957883D+02 -0.72164496600635D-15
|
|
2 2 1 2 -0.57576777133157D+01 -0.15357639381698D-14
|
|
3 2 1 2 -0.57934900932123D+01 -0.20463947689509D-14
|
|
1 1 2 2 0.83706980154305D+00 -0.24210062098021D-14
|
|
2 1 2 2 0.16395134786717D+01 -0.35522152804298D-15
|
|
3 1 2 2 0.87169743285321D+00 -0.76820889266586D-15
|
|
1 2 2 2 -0.57576777133157D+01 0.14247416357073D-14
|
|
2 2 2 2 -0.11549415926547D+02 -0.20816681711722D-15
|
|
3 2 2 2 -0.57236168684102D+01 -0.10649685549224D-14
|
|
1 1 3 2 0.80082950177074D+00 -0.74949492488327D-15
|
|
2 1 3 2 0.87169716790529D+00 -0.89945745161817D-15
|
|
3 1 3 2 0.15308045564176D+01 0.19051907772536D-16
|
|
1 2 3 2 -0.57934900932123D+01 0.19856794472917D-14
|
|
2 2 3 2 -0.57236168684102D+01 0.10198657445470D-14
|
|
3 2 3 2 -0.11656865074157D+02 -0.25326962749261D-15
|
|
K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.39492144909676D+01 -0.86736173798840D-17
|
|
2 1 1 1 -0.19968567887171D+01 -0.27406219839077D-15
|
|
3 1 1 1 -0.20413569140586D+01 0.76651122631683D-16
|
|
1 2 1 1 0.18503155876142D+01 0.49507886258254D-15
|
|
2 2 1 1 0.94946474983389D+00 0.10607908944482D-15
|
|
3 2 1 1 0.99807907547579D+00 -0.72871773916290D-16
|
|
1 1 2 1 -0.19968567887171D+01 0.16804077844884D-15
|
|
2 1 2 1 -0.64194183397283D+01 0.69388939039070D-17
|
|
3 1 2 1 -0.19803286714466D+01 -0.26378785828418D-15
|
|
1 2 2 1 0.94946515423873D+00 0.35179510652761D-15
|
|
2 2 2 1 0.21655980811200D+01 -0.28325532530175D-14
|
|
3 2 2 1 0.93030835487753D+00 -0.22334101292768D-15
|
|
1 1 3 1 -0.20413569140586D+01 -0.83156335666596D-16
|
|
2 1 3 1 -0.19803286714466D+01 0.31843164777745D-15
|
|
3 1 3 1 -0.38996309881322D+01 0.34694469519536D-16
|
|
1 2 3 1 0.99807972465672D+00 0.51437025908247D-15
|
|
2 2 3 1 0.93030809549998D+00 -0.36115311348867D-15
|
|
3 2 3 1 0.17928444844969D+01 -0.14430831433081D-15
|
|
1 1 1 2 0.18503155876142D+01 -0.45832440893528D-15
|
|
2 1 1 2 0.94946515423873D+00 -0.37765332834139D-15
|
|
3 1 1 2 0.99807972465672D+00 -0.55762992576464D-15
|
|
1 2 1 2 -0.39492155609349D+01 -0.39031278209478D-16
|
|
2 2 1 2 -0.19968582937528D+01 0.34815067258234D-15
|
|
3 2 1 2 -0.20413577705946D+01 0.73962873983868D-15
|
|
1 1 2 2 0.94946474983389D+00 -0.94803386850969D-16
|
|
2 1 2 2 0.21655980811200D+01 0.27995935069739D-14
|
|
3 1 2 2 0.93030809549998D+00 0.43097573339674D-15
|
|
1 2 2 2 -0.19968582937528D+01 -0.39889133425467D-15
|
|
2 2 2 2 -0.64194195579927D+01 0.48572257327351D-16
|
|
3 2 2 2 -0.19803307812373D+01 -0.32518203494674D-16
|
|
1 1 3 2 0.99807907547579D+00 0.16427001705682D-15
|
|
2 1 3 2 0.93030835487753D+00 0.30574037803658D-15
|
|
3 1 3 2 0.17928444844969D+01 0.12002218566713D-15
|
|
1 2 3 2 -0.20413577705946D+01 -0.78256314586911D-15
|
|
2 2 3 2 -0.19803307812373D+01 -0.29014036303701D-15
|
|
3 2 3 2 -0.38996311489599D+01 -0.36429192995513D-16
|
|
Band: 2
|
|
1 1 1 1 -0.54781351820739D+01 0.45102810375397D-16
|
|
2 1 1 1 -0.27403095012087D+01 0.23936586267967D-15
|
|
3 1 1 1 -0.27427931019949D+01 0.87255444204272D-17
|
|
1 2 1 1 -0.19402550978695D+00 0.25409858245023D-15
|
|
2 2 1 1 -0.98584066928675D-01 0.21974062269921D-15
|
|
3 2 1 1 -0.10172664804568D+00 -0.31850142969993D-16
|
|
1 1 2 1 -0.27403095012087D+01 -0.15702070767939D-15
|
|
2 1 2 1 -0.15633582733321D+02 0.27755575615629D-16
|
|
3 1 2 1 -0.27394421818311D+01 -0.54758393390743D-16
|
|
1 2 2 1 -0.98584135012875D-01 -0.57687325069987D-15
|
|
2 2 2 1 0.29270650037182D+01 -0.29866400281968D-16
|
|
3 2 2 1 -0.97295438624041D-01 -0.66741045035330D-16
|
|
1 1 3 1 -0.27427931019949D+01 0.68869668633641D-17
|
|
2 1 3 1 -0.27394421818311D+01 -0.11004033682705D-15
|
|
3 1 3 1 -0.54755326191861D+01 -0.13877787807814D-16
|
|
1 2 3 1 -0.10172636329157D+00 0.28476957229328D-16
|
|
2 2 3 1 -0.97295776954979D-01 -0.51723411460706D-15
|
|
3 2 3 1 -0.19016048010735D+00 0.23276575942064D-15
|
|
1 1 1 2 -0.19402550978695D+00 -0.26147115722313D-15
|
|
2 1 1 2 -0.98584135012875D-01 0.35000394610728D-15
|
|
3 1 1 2 -0.10172636329157D+00 -0.56232532844957D-16
|
|
1 2 1 2 -0.54781350434663D+01 -0.28622937353617D-16
|
|
2 2 1 2 -0.27403089799152D+01 -0.31263552138550D-16
|
|
3 2 1 2 -0.27427932526386D+01 0.76803310662719D-16
|
|
1 1 2 2 -0.98584066928675D-01 -0.34290598949356D-15
|
|
2 1 2 2 0.29270650037182D+01 0.52599731441133D-15
|
|
3 1 2 2 -0.97295776954979D-01 0.94224136622138D-15
|
|
1 2 2 2 -0.27403089799152D+01 -0.19425049973843D-15
|
|
2 2 2 2 -0.15633579163470D+02 0.52735593669695D-15
|
|
3 2 2 2 -0.27394418075119D+01 -0.54722361312556D-15
|
|
1 1 3 2 -0.10172664804568D+00 0.34885909052953D-16
|
|
2 1 3 2 -0.97295438624041D-01 -0.33005554833337D-16
|
|
3 1 3 2 -0.19016048010735D+00 -0.33684916797925D-15
|
|
1 2 3 2 -0.27427932526386D+01 0.48096779607611D-16
|
|
2 2 3 2 -0.27394418075119D+01 -0.34095480657457D-15
|
|
3 2 3 2 -0.54755324931310D+01 0.65919492087119D-16
|
|
Band: 3
|
|
1 1 1 1 -0.27488414084448D+02 0.78062556418956D-15
|
|
2 1 1 1 -0.19554702145710D+02 -0.18047143390120D-15
|
|
3 1 1 1 -0.31175910785782D+02 0.22396379437252D-15
|
|
1 2 1 1 -0.12029193098780D+02 0.17042070704410D-14
|
|
2 2 1 1 -0.27727193634580D+01 -0.20663735384851D-14
|
|
3 2 1 1 0.17514122012576D+01 -0.93275042346859D-14
|
|
1 1 2 1 -0.19554702145710D+02 0.41639382663405D-15
|
|
2 1 2 1 -0.21528775311165D+02 -0.33566899260151D-15
|
|
3 1 2 1 -0.19895509421513D+02 0.44033022716879D-15
|
|
1 2 2 1 -0.27727191968307D+01 0.10474734256767D-14
|
|
2 2 2 1 0.29225794306087D+00 0.56144908006459D-15
|
|
3 2 2 1 0.19313418578106D+00 -0.13742527375505D-14
|
|
1 1 3 1 -0.31175910785782D+02 0.53844717331928D-15
|
|
2 1 3 1 -0.19895509421513D+02 -0.32518795645083D-15
|
|
3 1 3 1 -0.28395293348286D+02 0.22551405187698D-15
|
|
1 2 3 1 0.17514124801125D+01 -0.55750003345127D-15
|
|
2 2 3 1 0.19313377732671D+00 -0.50618105077129D-15
|
|
3 2 3 1 -0.39096514414361D+01 0.31207737802721D-14
|
|
1 1 1 2 -0.12029193098780D+02 0.31322019805823D-14
|
|
2 1 1 2 -0.27727191968307D+01 0.11885851348574D-14
|
|
3 1 1 2 0.17514124801125D+01 0.27397821662301D-14
|
|
1 2 1 2 -0.27488413774173D+02 -0.34694469519536D-15
|
|
2 2 1 2 -0.19554702090848D+02 -0.42077218719378D-15
|
|
3 2 1 2 -0.31175910252703D+02 0.22465677864860D-14
|
|
1 1 2 2 -0.27727193634580D+01 0.44776391700928D-14
|
|
2 1 2 2 0.29225794306087D+00 0.17075692265131D-14
|
|
3 1 2 2 0.19313377732670D+00 0.11896621003062D-14
|
|
1 2 2 2 -0.19554702090848D+02 0.20965150649874D-14
|
|
2 2 2 2 -0.21528774990024D+02 -0.14988010832440D-14
|
|
3 2 2 2 -0.19895509255446D+02 0.25411823708776D-15
|
|
1 1 3 2 0.17514122012576D+01 0.11534072496128D-13
|
|
2 1 3 2 0.19313418578106D+00 0.22251346025172D-14
|
|
3 1 3 2 -0.39096514414361D+01 -0.21007563763978D-14
|
|
1 2 3 2 -0.31175910252703D+02 -0.24928985200747D-14
|
|
2 2 3 2 -0.19895509255446D+02 -0.23635419838756D-14
|
|
3 2 3 2 -0.28395293219211D+02 -0.13600232051658D-14
|
|
Band: 4
|
|
1 1 1 1 -0.54553097843522D+01 0.83266726846887D-16
|
|
2 1 1 1 0.10185383377018D+01 0.56308867651709D-14
|
|
3 1 1 1 0.14704048873926D+02 0.19906878710573D-13
|
|
1 2 1 1 -0.11557820852674D+02 -0.92914509367313D-14
|
|
2 2 1 1 -0.70056773796607D+01 -0.36736097315095D-14
|
|
3 2 1 1 -0.13544918577220D+02 -0.21153435518042D-14
|
|
1 1 2 1 0.10185383377018D+01 -0.55189971009704D-14
|
|
2 1 2 1 -0.90052203873614D+01 -0.86736173798840D-16
|
|
3 1 2 1 0.56194252432587D+00 0.41884155412923D-14
|
|
1 2 2 1 -0.70056793246828D+01 0.12999206313245D-14
|
|
2 2 2 1 -0.41713312116495D+01 0.16563632128540D-14
|
|
3 2 2 1 -0.92055597626964D+01 0.75069053260532D-14
|
|
1 1 3 1 0.14704048873926D+02 -0.19183499021091D-13
|
|
2 1 3 1 0.56194252432588D+00 -0.42161711169080D-14
|
|
3 1 3 1 -0.45484303141726D+01 -0.33306690738755D-15
|
|
1 2 3 1 -0.13544919632019D+02 0.11166988389380D-13
|
|
2 2 3 1 -0.92055579985771D+01 0.72363461561675D-14
|
|
3 2 3 1 -0.19677361688569D+02 0.24966866566388D-13
|
|
1 1 1 2 -0.11557820852674D+02 0.95690066928876D-14
|
|
2 1 1 2 -0.70056793246828D+01 -0.15948236222406D-14
|
|
3 1 1 2 -0.13544919632019D+02 -0.11708222113885D-13
|
|
1 2 1 2 -0.54553106121304D+01 -0.26888213877641D-15
|
|
2 2 1 2 0.10185366905993D+01 -0.20018916399926D-14
|
|
3 2 1 2 0.14704046662887D+02 -0.54993325978877D-14
|
|
1 1 2 2 -0.70056773796607D+01 0.36597319437017D-14
|
|
2 1 2 2 -0.41713312116495D+01 -0.16737104476138D-14
|
|
3 1 2 2 -0.92055579985771D+01 -0.68963403548761D-14
|
|
1 2 2 2 0.10185366905993D+01 0.10252423230176D-14
|
|
2 2 2 2 -0.90052214656575D+01 -0.27326537171740D-32
|
|
3 2 2 2 0.56193932909295D+00 -0.11042641708907D-14
|
|
1 1 3 2 -0.13544918577220D+02 0.16781932358581D-14
|
|
2 1 3 2 -0.92055597626964D+01 -0.69136298972691D-14
|
|
3 1 3 2 -0.19677361688569D+02 -0.25605244805547D-13
|
|
1 2 3 2 0.14704046662887D+02 0.55270881735033D-14
|
|
2 2 3 2 0.56193932909295D+00 0.17703979856658D-14
|
|
3 2 3 2 -0.45484353725061D+01 0.22204460492503D-15
|
|
Band: 5
|
|
1 1 1 1 0.42397735502019D+01 -0.13791051634016D-15
|
|
2 1 1 1 0.17351209945791D+02 -0.16636877784461D-13
|
|
3 1 1 1 0.31046292537404D+02 -0.29005847617312D-13
|
|
1 2 1 1 -0.16668523948008D+02 0.29304907415255D-14
|
|
2 2 1 1 -0.20197460293894D+02 0.15797181830772D-13
|
|
3 2 1 1 -0.28390519444231D+02 0.28826992707074D-13
|
|
1 1 2 1 0.17351209945791D+02 0.16920505072783D-13
|
|
2 1 2 1 0.14805483082693D+02 0.55164206536062D-15
|
|
3 1 2 1 0.29706569005432D+02 -0.10051137682227D-13
|
|
1 2 2 1 -0.20197460506193D+02 -0.14896192287367D-13
|
|
2 2 2 1 -0.25091215655715D+02 -0.13728050109472D-14
|
|
3 2 2 1 -0.35877145216286D+02 0.96861695691125D-14
|
|
1 1 3 1 0.31046292537404D+02 0.29949537188243D-13
|
|
2 1 3 1 0.29706569005432D+02 0.10307876756671D-13
|
|
3 1 3 1 0.30779584185679D+02 0.47184478546569D-15
|
|
1 2 3 1 -0.28390523483037D+02 -0.27246783095420D-13
|
|
2 2 3 1 -0.35877149504241D+02 -0.13752635142274D-13
|
|
3 2 3 1 -0.53934325684426D+02 -0.55713425792530D-14
|
|
1 1 1 2 -0.16668523948008D+02 -0.25974238341380D-14
|
|
2 1 1 2 -0.20197460506193D+02 0.14965581226406D-13
|
|
3 1 1 2 -0.28390523483037D+02 0.26925859252364D-13
|
|
1 2 1 2 0.42397821044830D+01 -0.15612511283791D-16
|
|
2 2 1 2 0.17351219285291D+02 -0.14126170347836D-13
|
|
3 2 1 2 0.31046300851853D+02 -0.27320599409680D-13
|
|
1 1 2 2 -0.20197460293894D+02 -0.15337480109638D-13
|
|
2 1 2 2 -0.25091215655715D+02 0.12964771780042D-14
|
|
3 1 2 2 -0.35877149504241D+02 0.12316284104165D-13
|
|
1 2 2 2 0.17351219285291D+02 0.13976984128902D-13
|
|
2 2 2 2 0.14805493429879D+02 0.11102230246252D-15
|
|
3 2 2 2 0.29706578177637D+02 -0.12320896367931D-13
|
|
1 1 3 2 -0.28390519444231D+02 -0.28629234230812D-13
|
|
2 1 3 2 -0.35877145216286D+02 -0.90269746482413D-14
|
|
3 1 3 2 -0.53934325684426D+02 0.61125763037577D-14
|
|
1 2 3 2 0.31046300851853D+02 0.27133249274274D-13
|
|
2 2 3 2 0.29706578177637D+02 0.12098851763006D-13
|
|
3 2 3 2 0.30779591888857D+02 -0.33306690738755D-15
|
|
Band: 6
|
|
1 1 1 1 0.10576621747411D+01 0.48572257327350D-16
|
|
2 1 1 1 -0.86523441438380D+01 0.26871915151187D-15
|
|
3 1 1 1 -0.28397576896527D+02 0.14064071395732D-13
|
|
1 2 1 1 -0.39614593538236D+02 0.27983113337949D-14
|
|
2 2 1 1 -0.13976704803697D+02 0.41764997231626D-14
|
|
3 2 1 1 0.24896152601761D+00 0.16041836671915D-14
|
|
1 1 2 1 -0.86523441438380D+01 -0.52372350248046D-15
|
|
2 1 2 1 -0.15759911199069D+02 -0.16306400674182D-15
|
|
3 1 2 1 -0.17144276278518D+02 0.43916936386021D-14
|
|
1 2 2 1 -0.13976704784962D+02 0.21836827763068D-14
|
|
2 2 2 1 -0.62014031129792D+01 0.23096379607951D-14
|
|
3 2 2 1 -0.21537220303475D+01 0.49779685629448D-15
|
|
1 1 3 1 -0.28397576896527D+02 -0.13706718359681D-13
|
|
2 1 3 1 -0.17144276278518D+02 -0.44090408733618D-14
|
|
3 1 3 1 -0.25482150440702D+02 0.10755285551056D-15
|
|
1 2 3 1 0.24896425771248D+00 0.93755368493759D-14
|
|
2 2 3 1 -0.21537200195509D+01 0.20371863035781D-14
|
|
3 2 3 1 -0.23487904948443D+01 -0.55834325166735D-15
|
|
1 1 1 2 -0.39614593538236D+02 -0.16186993701307D-14
|
|
2 1 1 2 -0.13976704784962D+02 -0.20292923869449D-14
|
|
3 1 1 2 0.24896425771248D+00 -0.97779926958025D-14
|
|
1 2 1 2 0.10576605139813D+01 -0.90205620750794D-15
|
|
2 2 1 2 -0.86523457906480D+01 0.71872265714443D-15
|
|
3 2 1 2 -0.28397578003926D+02 0.50434240525056D-14
|
|
1 1 2 2 -0.13976704803697D+02 -0.44297693506552D-14
|
|
2 1 2 2 -0.62014031129792D+01 -0.12965594508247D-14
|
|
3 1 2 2 -0.21537200195509D+01 -0.18966737020239D-14
|
|
1 2 2 2 -0.86523457906480D+01 0.15065373193758D-16
|
|
2 2 2 2 -0.15759912483033D+02 0.69388939039072D-15
|
|
3 2 2 2 -0.17144277829063D+02 0.39875130087517D-14
|
|
1 1 3 2 0.24896152601761D+00 0.56397185149377D-17
|
|
2 1 3 2 -0.21537220303475D+01 0.68181510736975D-15
|
|
3 1 3 2 -0.23487904948443D+01 0.51670988824391D-15
|
|
1 2 3 2 -0.28397578003926D+02 -0.80236789842338D-14
|
|
2 2 3 2 -0.17144277829063D+02 -0.97603305445596D-15
|
|
3 2 3 2 -0.25482150866160D+02 0.10026701691146D-14
|
|
Band: 7
|
|
1 1 1 1 -0.97580162697458D+01 0.36125616387217D-15
|
|
2 1 1 1 -0.62150420857835D+01 -0.31315500591109D-15
|
|
3 1 1 1 -0.88871097366068D+01 0.58523231015508D-15
|
|
1 2 1 1 0.80045082534585D+01 0.98212261928991D-15
|
|
2 2 1 1 0.52977445966384D+01 -0.49620388725149D-15
|
|
3 2 1 1 0.78887278398773D+01 -0.10854641775277D-14
|
|
1 1 2 1 -0.62150420857835D+01 0.47742314086638D-16
|
|
2 1 2 1 -0.65344579814649D+01 0.54123372450476D-15
|
|
3 1 2 1 -0.45181224762201D+01 0.16197871332937D-15
|
|
1 2 2 1 0.52977453372197D+01 0.24919255317043D-15
|
|
2 2 2 1 0.23274219966041D+01 -0.47091124615483D-15
|
|
3 2 2 1 0.36319007873391D+01 -0.19802927436646D-15
|
|
1 1 3 1 -0.88871097366068D+01 -0.59108700188651D-15
|
|
2 1 3 1 -0.45181224762201D+01 0.49201203711389D-15
|
|
3 1 3 1 -0.46672585789752D+01 -0.83266726846887D-16
|
|
1 2 3 1 0.78887277907861D+01 -0.13225323015560D-14
|
|
2 2 3 1 0.36319007787897D+01 -0.91627616194818D-15
|
|
3 2 3 1 0.30069754347828D+01 -0.22869287315704D-14
|
|
1 1 1 2 0.80045082534585D+01 -0.12206470972367D-14
|
|
2 1 1 2 0.52977453372197D+01 -0.29516272528382D-15
|
|
3 1 1 2 0.78887277907861D+01 0.14370240509704D-14
|
|
1 2 1 2 -0.97580130241644D+01 0.22898349882894D-15
|
|
2 2 1 2 -0.62150399062400D+01 0.40955888230608D-15
|
|
3 2 1 2 -0.88871089583283D+01 -0.76133425727997D-15
|
|
1 1 2 2 0.52977445966384D+01 0.61156299840395D-15
|
|
2 1 2 2 0.23274219966041D+01 0.12550062572964D-14
|
|
3 1 2 2 0.36319007787897D+01 0.54851478504110D-15
|
|
1 2 2 2 -0.62150399062400D+01 -0.20139206518886D-15
|
|
2 2 2 2 -0.65344573480760D+01 -0.93675067702748D-15
|
|
3 2 2 2 -0.45181218002273D+01 0.42444405684517D-15
|
|
1 1 3 2 0.78887278398773D+01 0.91416023427494D-15
|
|
2 1 3 2 0.36319007873391D+01 0.47211558357079D-15
|
|
3 1 3 2 0.30069754347828D+01 0.17942672643930D-14
|
|
1 2 3 2 -0.88871089583283D+01 0.63556680527165D-15
|
|
2 2 3 2 -0.45181218002273D+01 0.25209809878578D-15
|
|
3 2 3 2 -0.46672577777324D+01 -0.22204460492503D-15
|
|
Band: 8
|
|
1 1 1 1 -0.11558689448106D+02 -0.23044717176179D-15
|
|
2 1 1 1 -0.57582190886584D+01 0.17926306320681D-14
|
|
3 1 1 1 -0.57159681096868D+01 -0.99865440218596D-16
|
|
1 2 1 1 0.16300577796423D+01 -0.38693492857311D-15
|
|
2 2 1 1 0.83650077001205D+00 -0.13567992635070D-14
|
|
3 2 1 1 0.87944432271379D+00 0.96351019874208D-16
|
|
1 1 2 1 -0.57582190886584D+01 -0.14894877046411D-14
|
|
2 1 2 1 -0.23684285466046D+02 0.17850304567801D-14
|
|
3 1 2 1 -0.57853029289646D+01 0.14367596602721D-14
|
|
1 2 2 1 0.83650123565212D+00 -0.47031032579588D-15
|
|
2 2 2 1 -0.82227931116916D+01 0.38230496277414D-15
|
|
3 2 2 1 0.80915111324036D+00 0.40123819040613D-14
|
|
1 1 3 1 -0.57159681096868D+01 0.37090134431685D-16
|
|
2 1 3 1 -0.57853029289646D+01 -0.92675095833493D-15
|
|
3 1 3 1 -0.11639942716619D+02 -0.20816681711722D-15
|
|
1 2 3 1 0.87944461861609D+00 -0.11247679596410D-15
|
|
2 2 3 1 0.80915057974993D+00 -0.55315545613977D-15
|
|
3 2 3 1 0.15480077684201D+01 -0.18823411757956D-15
|
|
1 1 1 2 0.16300577796423D+01 0.78375292370280D-15
|
|
2 1 1 2 0.83650123565212D+00 0.19349872821425D-17
|
|
3 1 1 2 0.87944461861609D+00 0.66072942981719D-16
|
|
1 2 1 2 -0.11558689932428D+02 -0.30878077872387D-15
|
|
2 2 1 2 -0.57582200875574D+01 0.24400324225367D-15
|
|
3 2 1 2 -0.57159685143853D+01 0.33456117384895D-15
|
|
1 1 2 2 0.83650077001205D+00 -0.81854397536794D-15
|
|
2 1 2 2 -0.82227931116916D+01 0.93608487896823D-15
|
|
3 1 2 2 0.80915057974993D+00 0.14690894514555D-14
|
|
1 2 2 2 -0.57582200875574D+01 0.27641380053937D-15
|
|
2 2 2 2 -0.23684288444439D+02 -0.77715611723761D-15
|
|
3 2 2 2 -0.57853044973972D+01 -0.58750010021755D-14
|
|
1 1 3 2 0.87944432271379D+00 0.14237601719313D-16
|
|
2 1 3 2 0.80915111324036D+00 -0.21388805500063D-14
|
|
3 1 3 2 0.15480077684201D+01 -0.38942879992072D-15
|
|
1 2 3 2 -0.57159685143853D+01 -0.22006942443448D-15
|
|
2 2 3 2 -0.57853044973972D+01 0.47647779775504D-14
|
|
3 2 3 2 -0.11639942713541D+02 0.30531133177192D-15
|
|
K-point: 5.00000000E-01 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.11185896937789D+02 -0.64184768611142D-16
|
|
2 1 1 1 -0.86696740813456D+01 -0.32201218791427D-15
|
|
3 1 1 1 -0.41168941123055D+01 -0.20987860927581D-15
|
|
1 2 1 1 0.11185206134829D+01 0.79504873206589D-15
|
|
2 2 1 1 0.13541968118158D+01 -0.39595344270997D-15
|
|
3 2 1 1 0.23577390364416D+01 0.51342929316307D-15
|
|
1 1 2 1 -0.86696740813456D+01 0.13986622293671D-15
|
|
2 1 2 1 -0.11180791675053D+02 0.17347234759768D-16
|
|
3 1 2 1 -0.41117881471720D+01 0.20469065485327D-15
|
|
1 2 2 1 0.13204996064078D+01 -0.52332055606544D-17
|
|
2 2 2 1 0.11477417533002D+01 -0.48602629330686D-16
|
|
3 2 2 1 0.23532599657929D+01 0.68188906189394D-15
|
|
1 1 3 1 -0.41168941123055D+01 0.10839728593117D-15
|
|
2 1 3 1 -0.41117881471720D+01 -0.15958784447788D-15
|
|
3 1 3 1 -0.82286794103844D+01 0.69388939039072D-16
|
|
1 2 3 1 0.23240433511958D+01 -0.10571278093971D-15
|
|
2 2 3 1 0.23869617622758D+01 0.54947782080914D-15
|
|
3 2 3 1 0.47110031819082D+01 0.70800528263949D-15
|
|
1 1 1 2 0.11185206134829D+01 -0.90780575800438D-15
|
|
2 1 1 2 0.13204996064078D+01 0.15788887144661D-15
|
|
3 1 1 2 0.23240433511958D+01 0.57140523612361D-16
|
|
1 2 1 2 -0.74217896939746D+01 -0.22204460492503D-15
|
|
2 2 1 2 -0.54233936474868D+01 0.66705184784524D-16
|
|
3 2 1 2 -0.36444331545649D+01 -0.92245238008601D-15
|
|
1 1 2 2 0.13541968118158D+01 0.24329777682401D-15
|
|
2 1 2 2 0.11477417533002D+01 -0.83957579036944D-15
|
|
3 1 2 2 0.23869617622758D+01 -0.52172224519351D-15
|
|
1 2 2 2 -0.54233936474868D+01 -0.28874978970955D-15
|
|
2 2 2 2 -0.74896471319010D+01 0.11102230246252D-15
|
|
3 2 2 2 -0.37122889349589D+01 -0.18315437287424D-15
|
|
1 1 3 2 0.23577390364416D+01 -0.26362911262241D-15
|
|
2 1 3 2 0.23532599657929D+01 -0.46418126565885D-15
|
|
3 1 3 2 0.47110031819082D+01 -0.59004408627307D-15
|
|
1 2 3 2 -0.36444331545649D+01 0.86694122885475D-15
|
|
2 2 3 2 -0.37122889349589D+01 0.27431313726513D-17
|
|
3 2 3 2 -0.73567198999874D+01 -0.16653345369377D-15
|
|
Band: 2
|
|
1 1 1 1 -0.79765500047669D+01 0.12143064331838D-16
|
|
2 1 1 1 -0.46174843729167D+01 -0.14739203848106D-15
|
|
3 1 1 1 -0.21118220030498D+01 -0.77335390802549D-15
|
|
1 2 1 1 0.16489317323125D+01 0.64286907865995D-15
|
|
2 2 1 1 -0.40809013182663D+00 -0.10170717350346D-15
|
|
3 2 1 1 -0.20978661458527D+00 0.58353755408793D-15
|
|
1 1 2 1 -0.46174843729167D+01 -0.41465836773543D-15
|
|
2 1 2 1 -0.79086948599895D+01 -0.48572257327351D-15
|
|
3 1 2 1 -0.20439663582248D+01 -0.20826913201654D-15
|
|
1 2 2 1 -0.37439532196665D+00 -0.10900732654808D-14
|
|
2 2 2 1 0.16197071902281D+01 -0.11637541197712D-14
|
|
3 2 2 1 -0.20530840718169D+00 0.17782180044654D-15
|
|
1 1 3 1 -0.21118220030498D+01 0.38477584940668D-15
|
|
2 1 3 1 -0.20439663582248D+01 0.23515734589418D-15
|
|
3 1 3 1 -0.41557875046746D+01 0.10408340855861D-16
|
|
1 2 3 1 -0.17608985621625D+00 -0.16346682852691D-15
|
|
2 2 3 1 -0.23900888810604D+00 -0.34027945017959D-15
|
|
3 2 3 1 -0.41509628882538D+00 0.82688355379516D-16
|
|
1 1 1 2 0.16489317323125D+01 -0.68276771860741D-15
|
|
2 1 1 2 -0.37439532196665D+00 0.12843622947902D-14
|
|
3 1 1 2 -0.17608985621625D+00 -0.44699988590310D-16
|
|
1 2 1 2 -0.11679524840236D+02 0.12212453270877D-14
|
|
2 2 1 2 -0.78755943354031D+01 -0.15674147165050D-14
|
|
3 2 1 2 -0.25113180809344D+01 0.72214402860418D-15
|
|
1 1 2 2 -0.40809013182663D+00 -0.16890968874892D-15
|
|
2 1 2 2 0.16197071902281D+01 0.77170661420048D-15
|
|
3 1 2 2 -0.23900888810604D+00 0.34027945017959D-15
|
|
1 2 2 2 -0.78755943354031D+01 0.13731256871956D-14
|
|
2 2 2 2 -0.11684637679723D+02 0.00000000000000D+00
|
|
3 2 2 2 -0.25164248380695D+01 0.12956934266623D-14
|
|
1 1 3 2 -0.20978661458527D+00 -0.75397413560265D-15
|
|
2 1 3 2 -0.20530840718169D+00 -0.31659967852469D-15
|
|
3 1 3 2 -0.41509628882538D+00 0.40478184193239D-17
|
|
1 2 3 2 -0.25113180809344D+01 -0.28254638213455D-16
|
|
2 2 3 2 -0.25164248380695D+01 -0.18547040203718D-15
|
|
3 2 3 2 -0.50277475967772D+01 -0.16653345369377D-15
|
|
Band: 3
|
|
1 1 1 1 -0.16337440926812D+02 -0.30184188481996D-15
|
|
2 1 1 1 -0.81517020966082D+01 -0.48964739783802D-14
|
|
3 1 1 1 -0.18837077733504D+02 0.10869076817961D-13
|
|
1 2 1 1 -0.23101528118087D+01 0.13603424253675D-13
|
|
2 2 1 1 -0.20996202736030D+01 0.16651688803509D-13
|
|
3 2 1 1 -0.11456286156351D+01 0.96719964145746D-14
|
|
1 1 2 1 -0.81517020966082D+01 0.47212669073066D-14
|
|
2 1 2 1 -0.11124686213563D+02 0.60715321659188D-16
|
|
3 1 2 1 -0.13624324076055D+02 0.98049775867728D-14
|
|
1 2 2 1 -0.23006541586972D+01 0.69686578068413D-14
|
|
2 2 2 1 -0.21839796716716D+01 0.11589350222296D-13
|
|
3 2 2 1 -0.12204905215055D+01 0.93810939791777D-14
|
|
1 1 3 1 -0.18837077733504D+02 -0.11556027314448D-13
|
|
2 1 3 1 -0.13624324076055D+02 -0.10106819471593D-13
|
|
3 1 3 1 -0.32461384402347D+02 -0.18735013540550D-15
|
|
1 2 3 1 -0.13466748933179D+01 0.10884224617427D-13
|
|
2 2 3 1 -0.10194649088505D+01 0.11396779630913D-13
|
|
3 2 3 1 -0.23661228355248D+01 0.51822522059011D-15
|
|
1 1 1 2 -0.23101528118087D+01 -0.12451567865627D-13
|
|
2 1 1 2 -0.23006541586972D+01 -0.73156025020367D-14
|
|
3 1 1 2 -0.13466748933179D+01 -0.11189535949199D-13
|
|
1 2 1 2 -0.11087012342461D+02 0.38857805861880D-15
|
|
2 2 1 2 -0.82603464670039D+01 -0.27884995919461D-14
|
|
3 2 1 2 -0.13695308833823D+02 -0.76387722110073D-14
|
|
1 1 2 2 -0.20996202736030D+01 -0.16304744108314D-13
|
|
2 1 2 2 -0.21839796716716D+01 -0.11839150402836D-13
|
|
3 1 2 2 -0.10194649088505D+01 -0.10647379089292D-13
|
|
1 2 2 2 -0.82603464670039D+01 0.28995218944087D-14
|
|
2 2 2 2 -0.16615782221021D+02 0.55511151231258D-16
|
|
3 2 2 2 -0.19224077584459D+02 -0.81378177885870D-14
|
|
1 1 3 2 -0.11456286156351D+01 -0.94777073852652D-14
|
|
2 1 3 2 -0.12204905215055D+01 -0.10269272398878D-13
|
|
3 1 3 2 -0.23661228355248D+01 -0.22332222967405D-15
|
|
1 2 3 2 -0.13695308833823D+02 0.80273502696261D-14
|
|
2 2 3 2 -0.19224077584459D+02 0.71386170664244D-14
|
|
3 2 3 2 -0.32919393285868D+02 -0.24980018054066D-15
|
|
Band: 4
|
|
1 1 1 1 -0.12673622190818D+02 -0.13877787807814D-15
|
|
2 1 1 1 -0.11557312515973D+01 0.24615022874099D-14
|
|
3 1 1 1 -0.30805072392013D+01 0.25110160614876D-14
|
|
1 2 1 1 -0.45725131761100D+00 -0.13647875321344D-14
|
|
2 2 1 1 0.23014144140243D+01 -0.13255672897967D-14
|
|
3 2 1 1 0.44169091596519D-02 0.27772251139142D-14
|
|
1 1 2 1 -0.11557312515973D+01 -0.22602743641966D-14
|
|
2 1 2 1 -0.17886368952247D+02 -0.13877787807814D-15
|
|
3 1 2 1 -0.82932609905396D+01 0.13051309089987D-14
|
|
1 2 2 1 0.25024534670067D+01 0.66078354930350D-14
|
|
2 2 2 1 -0.58341789766327D+00 0.74968038886691D-15
|
|
3 2 2 1 0.79278728345687D-01 0.24203678241217D-14
|
|
1 1 3 1 -0.30805072392013D+01 -0.26324467048060D-14
|
|
2 1 3 1 -0.82932609905396D+01 -0.14395719783869D-14
|
|
3 1 3 1 -0.11373764287743D+02 0.52041704279304D-16
|
|
1 2 3 1 0.20545070685848D+00 0.30996729898979D-14
|
|
2 2 3 1 -0.12175941714828D+00 0.22381331199098D-14
|
|
3 2 3 1 0.83693718747896D-01 -0.21136653468149D-16
|
|
1 1 1 2 -0.45725131761100D+00 0.15729543492516D-14
|
|
2 1 1 2 0.25024534670067D+01 -0.54212846354669D-14
|
|
3 1 1 2 0.20545070685848D+00 -0.24231308342669D-14
|
|
1 2 1 2 -0.18164742278838D+02 -0.15265566588596D-15
|
|
2 2 1 2 -0.10470869253626D+01 0.26407327975681D-14
|
|
3 2 1 2 -0.84629553173432D+01 -0.15350984519019D-14
|
|
1 1 2 2 0.23014144140243D+01 0.93698923117788D-15
|
|
2 1 2 2 -0.58341789766327D+00 0.82986879601958D-16
|
|
3 1 2 2 -0.12175941714828D+00 -0.26405889663364D-14
|
|
1 2 2 2 -0.10470869253626D+01 -0.25088938133939D-14
|
|
2 2 2 2 -0.12635970738732D+02 -0.13877787807814D-15
|
|
3 2 2 2 -0.29341865947637D+01 -0.25763007735317D-14
|
|
1 1 3 2 0.44169091596524D-02 -0.21527246625625D-14
|
|
2 1 3 2 0.79278728345686D-01 -0.29685404425303D-14
|
|
3 1 3 2 0.83693718747896D-01 -0.32797644607218D-15
|
|
1 2 3 2 -0.84629553173432D+01 0.17007645438577D-14
|
|
2 2 3 2 -0.29341865947637D+01 0.25693618796278D-14
|
|
3 2 3 2 -0.11397143078939D+02 0.10408340855861D-16
|
|
Band: 5
|
|
1 1 1 1 -0.78930711592233D+01 -0.41459891075846D-15
|
|
2 1 1 1 -0.63963248854805D+01 -0.43303864485423D-15
|
|
3 1 1 1 -0.60198986548255D+01 -0.57160676990745D-15
|
|
1 2 1 1 0.34951247366539D+01 -0.32955791118073D-15
|
|
2 2 1 1 0.37157214175011D+01 0.99292384743213D-15
|
|
3 2 1 1 0.67608595505563D+01 0.17242027277589D-14
|
|
1 1 2 1 -0.63963248854805D+01 0.21966765730908D-15
|
|
2 1 2 1 -0.78725147005052D+01 0.90205620750794D-16
|
|
3 1 2 1 -0.59993392430161D+01 -0.12720859028938D-14
|
|
1 2 2 1 0.36465294978058D+01 0.49338572063004D-15
|
|
2 2 2 1 0.34656355412281D+01 0.95434697481899D-15
|
|
3 2 2 1 0.66621904232390D+01 0.15266760735133D-14
|
|
1 1 3 1 -0.60198986548255D+01 0.37818510233604D-15
|
|
2 1 3 1 -0.59993392430161D+01 0.85054809823140D-15
|
|
3 1 3 1 -0.12019161357423D+02 0.69388939039072D-17
|
|
1 2 3 1 0.66915970381341D+01 0.60222031633737D-15
|
|
2 2 3 1 0.67313005137238D+01 0.18262090011936D-14
|
|
3 2 3 1 0.13422973162820D+02 -0.12861661982693D-14
|
|
1 1 1 2 0.34951247366539D+01 0.31914957032487D-15
|
|
2 1 1 2 0.36465294978058D+01 -0.19501328276203D-15
|
|
3 1 1 2 0.66915970381341D+01 -0.85375522035401D-15
|
|
1 2 1 2 -0.74282231276294D+01 0.13877787807814D-15
|
|
2 2 1 2 -0.59323086537774D+01 -0.20246233910986D-15
|
|
3 2 1 2 -0.60103053852860D+01 0.12732264262547D-14
|
|
1 1 2 2 0.37157214175011D+01 -0.13121129670119D-14
|
|
2 1 2 2 0.34656355412281D+01 -0.88322331230394D-15
|
|
3 1 2 2 0.67313005137238D+01 -0.21731536963890D-14
|
|
1 2 2 2 -0.59323086537774D+01 0.20246233910986D-15
|
|
2 2 2 2 -0.74114732689946D+01 -0.22204460492503D-15
|
|
3 2 2 2 -0.59935529836449D+01 0.23711821755282D-14
|
|
1 1 3 2 0.67608595505563D+01 -0.14197587577250D-14
|
|
2 1 3 2 0.66621904232390D+01 -0.14451440701424D-14
|
|
3 1 3 2 0.13422973162820D+02 0.14735163336748D-14
|
|
1 2 3 2 -0.60103053852860D+01 -0.12593486384469D-14
|
|
2 2 3 2 -0.59935529836449D+01 -0.21075042071798D-14
|
|
3 2 3 2 -0.12003933533726D+02 0.27755575615629D-15
|
|
Band: 6
|
|
1 1 1 1 -0.72960020791855D+01 -0.11102230246252D-15
|
|
2 1 1 1 -0.14946879332077D+01 0.31799830486519D-15
|
|
3 1 1 1 -0.14891806427574D+01 0.15795142161621D-15
|
|
1 2 1 1 0.36579479589882D+01 -0.10085168790001D-14
|
|
2 2 1 1 -0.34336856279863D+01 0.99910793259098D-15
|
|
3 2 1 1 -0.23600500209898D+00 -0.58961584290361D-15
|
|
1 1 2 1 -0.14946879332077D+01 -0.13064816945969D-15
|
|
2 1 2 1 -0.73127410142820D+01 -0.88470897274817D-16
|
|
3 1 2 1 -0.15059519957333D+01 0.33306012869215D-15
|
|
1 2 2 1 -0.33643989881548D+01 0.29023906445825D-15
|
|
2 2 2 1 0.36875176322689D+01 -0.13007786713781D-15
|
|
3 2 2 1 -0.13730685611184D+00 -0.42576334922047D-15
|
|
1 1 3 1 -0.14891806427574D+01 -0.26112437441976D-16
|
|
2 1 3 1 -0.15059519957333D+01 -0.27754897746089D-15
|
|
3 1 3 1 -0.29951315152341D+01 -0.13877787807814D-16
|
|
1 2 3 1 -0.16681202368601D+00 -0.33427980958825D-15
|
|
2 2 3 1 -0.20649607681438D+00 0.20931988419160D-16
|
|
3 2 3 1 -0.37330945392001D+00 -0.27224968725940D-15
|
|
1 1 1 2 0.36579479589882D+01 0.10015779850962D-14
|
|
2 1 1 2 -0.33643989881548D+01 -0.49146698767156D-15
|
|
3 1 1 2 -0.16681202368601D+00 0.38285206691560D-15
|
|
1 2 1 2 -0.77045528923691D+01 0.27755575615629D-15
|
|
2 2 1 2 -0.19064023041214D+01 0.13586477727413D-15
|
|
3 2 1 2 -0.14948889232773D+01 -0.11497457631642D-15
|
|
1 1 2 2 -0.34336856279863D+01 -0.11933969619004D-14
|
|
2 1 2 2 0.36875176322689D+01 -0.34720863079983D-16
|
|
3 1 2 2 -0.20649607681438D+00 0.16815287046231D-15
|
|
1 2 2 2 -0.19064023041214D+01 0.11393540326653D-15
|
|
2 2 2 2 -0.77252987040192D+01 -0.22204460492503D-15
|
|
3 2 2 2 -0.15154759362141D+01 0.12536341792120D-15
|
|
1 1 3 2 -0.23600500209898D+00 0.49941022215282D-15
|
|
2 1 3 2 -0.13730685611184D+00 0.46739671264391D-15
|
|
3 1 3 2 -0.37330945392001D+00 0.27224968725940D-15
|
|
1 2 3 2 -0.14948889232773D+01 0.12885236412423D-15
|
|
2 2 3 2 -0.15154759362141D+01 0.55047823580388D-16
|
|
3 2 3 2 -0.30103753216005D+01 -0.11102230246252D-15
|
|
Band: 7
|
|
1 1 1 1 -0.40646968193774D+02 0.63837823915947D-15
|
|
2 1 1 1 -0.15973873608656D+02 0.70553476916390D-15
|
|
3 1 1 1 -0.42292703058217D+02 -0.53593602710555D-14
|
|
1 2 1 1 -0.76119536141543D+01 -0.11024366629723D-13
|
|
2 2 1 1 -0.63898128261290D+01 -0.74209341273028D-14
|
|
3 2 1 1 -0.64441081996941D+01 -0.86054682683499D-14
|
|
1 1 2 1 -0.15973873608656D+02 -0.42104011910370D-15
|
|
2 1 2 1 -0.18861003144048D+02 0.24980018054066D-15
|
|
3 1 2 1 -0.20506632292295D+02 -0.59921103002300D-14
|
|
1 2 2 1 -0.63010930517477D+01 -0.93206733234549D-14
|
|
2 2 2 1 -0.74674349292900D+01 -0.91874732331991D-14
|
|
3 2 2 1 -0.62109739225368D+01 -0.69484545206591D-14
|
|
1 1 3 1 -0.42292703058217D+02 0.66083611737588D-14
|
|
2 1 3 1 -0.20506632292295D+02 0.64639550856957D-14
|
|
3 1 3 1 -0.62799766582164D+02 0.26194324487250D-15
|
|
1 2 3 1 -0.63556252380320D+01 -0.10811379863526D-13
|
|
2 2 3 1 -0.62998453790094D+01 -0.54958499801886D-14
|
|
3 2 3 1 -0.12655041811291D+02 0.23262160647380D-15
|
|
1 1 1 2 -0.76119536141543D+01 0.10555991291209D-13
|
|
2 1 1 2 -0.63010930517477D+01 0.10302526810858D-13
|
|
3 1 1 2 -0.63556252380320D+01 0.11366491375839D-13
|
|
1 2 1 2 -0.18691178571251D+02 0.52735593669695D-15
|
|
2 2 1 2 -0.15956352303320D+02 0.12359925133633D-14
|
|
3 2 1 2 -0.20319138483459D+02 0.97003184092506D-14
|
|
1 1 2 2 -0.63898128261290D+01 0.60470331343292D-14
|
|
2 1 2 2 -0.74674349292900D+01 0.87919562806764D-14
|
|
3 1 2 2 -0.62998453790094D+01 0.72444512439733D-14
|
|
1 2 2 2 -0.15956352303320D+02 0.35127946715545D-15
|
|
2 2 2 2 -0.40769355350284D+02 0.72164496600635D-15
|
|
3 2 2 2 -0.42397296025329D+02 0.81490319084661D-14
|
|
1 1 3 2 -0.64441081996941D+01 0.81058679072686D-14
|
|
2 1 3 2 -0.62109739225368D+01 0.65459986742324D-14
|
|
3 1 3 2 -0.12655041811291D+02 -0.14261113579458D-14
|
|
1 2 3 2 -0.20319138483459D+02 -0.92145958359771D-14
|
|
2 2 3 2 -0.42397296025329D+02 -0.86139378000279D-14
|
|
3 2 3 2 -0.62716473709814D+02 -0.14710455076283D-14
|
|
Band: 8
|
|
1 1 1 1 -0.17604255315046D+02 0.69388939039072D-16
|
|
2 1 1 1 0.75572769420625D+00 0.58914059360149D-14
|
|
3 1 1 1 -0.32064341347657D+01 -0.31207655647019D-14
|
|
1 2 1 1 -0.87212434121533D+01 -0.82169411912495D-15
|
|
2 2 1 1 -0.26810901288569D+00 -0.51852273495414D-14
|
|
3 2 1 1 -0.75720966650619D+00 -0.10090330447787D-14
|
|
1 1 2 1 0.75572769420624D+00 -0.65020285995588D-14
|
|
2 1 2 1 -0.39390356149140D+02 0.67654215563095D-15
|
|
3 1 2 1 -0.24992505124835D+02 -0.14350554840986D-14
|
|
1 2 2 1 -0.35672948597520D+00 0.32232011082435D-14
|
|
2 2 2 1 -0.88657289001635D+01 0.40833748962860D-14
|
|
3 2 2 1 -0.99034377158429D+00 0.10335001236162D-14
|
|
1 1 3 1 -0.32064341347657D+01 0.23470788944163D-14
|
|
2 1 3 1 -0.24992505124835D+02 0.19207780573721D-14
|
|
3 1 3 1 -0.28199111756024D+02 0.20816681711722D-15
|
|
1 2 3 1 -0.84599749735607D+00 -0.34649588848035D-14
|
|
2 2 3 1 -0.90177737552947D+00 -0.33897530306847D-14
|
|
3 2 3 1 -0.17476031970259D+01 0.14547641073694D-15
|
|
1 1 1 2 -0.87212434121533D+01 0.90496084597184D-15
|
|
2 1 1 2 -0.35672948597520D+00 -0.33476675176448D-14
|
|
3 1 1 2 -0.84599749735607D+00 0.32151587042629D-14
|
|
1 2 1 2 -0.39512322048243D+02 0.70776717819854D-15
|
|
2 2 1 2 0.73818587449273D+00 0.28278624027736D-15
|
|
3 2 1 2 -0.25132462771143D+02 -0.17687631580764D-15
|
|
1 1 2 2 -0.26810901288569D+00 0.51297161983101D-14
|
|
2 1 2 2 -0.88657289001635D+01 -0.65328044443653D-14
|
|
3 1 2 2 -0.90177737552947D+00 0.30289305476815D-14
|
|
1 2 2 2 0.73818587449273D+00 -0.56728089033756D-15
|
|
2 2 2 2 -0.17434079199109D+02 -0.27755575615629D-16
|
|
3 2 2 2 -0.30543055370752D+01 0.59174210545094D-15
|
|
1 1 3 2 -0.75720966650619D+00 -0.64936259825513D-15
|
|
2 1 3 2 -0.99034377158429D+00 0.17628741196584D-14
|
|
3 1 3 2 -0.17476031970259D+01 0.14417955697818D-14
|
|
1 2 3 2 -0.25132462771143D+02 0.20463189142327D-15
|
|
2 2 3 2 -0.30543055370752D+01 -0.15459178950478D-15
|
|
3 2 3 2 -0.28186717564201D+02 -0.55511151231258D-16
|
|
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.39041294172777D+01 -0.69388939039072D-17
|
|
2 1 1 1 -0.20424499372298D+01 -0.20411737329331D-15
|
|
3 1 1 1 -0.19821925130603D+01 -0.73084531609650D-16
|
|
1 2 1 1 0.17999965167736D+01 -0.13424416666205D-14
|
|
2 2 1 1 0.99992955838591D+00 -0.11940866694305D-14
|
|
3 2 1 1 0.93330778366905D+00 -0.99281055503495D-15
|
|
1 1 2 1 -0.20424499372298D+01 0.91360347354814D-16
|
|
2 1 2 1 -0.39458093269782D+01 -0.39898639947467D-16
|
|
3 1 2 1 -0.19960853441784D+01 0.33548746924047D-15
|
|
1 2 2 1 0.99992957438874D+00 -0.12871743745280D-14
|
|
2 2 2 1 0.18450137373384D+01 -0.18899563435209D-14
|
|
3 2 2 1 0.94831373311080D+00 -0.12517436445221D-14
|
|
1 1 3 1 -0.19821925130603D+01 0.14073874717275D-15
|
|
2 1 3 1 -0.19960853441784D+01 -0.18803597378244D-15
|
|
3 1 3 1 -0.64197824724561D+01 -0.36429192995513D-16
|
|
1 2 3 1 0.93330926643327D+00 -0.52257349920588D-15
|
|
2 2 3 1 0.94831554802769D+00 -0.93571403452734D-15
|
|
3 2 3 1 0.21662147044155D+01 -0.96369120411432D-14
|
|
1 1 1 2 0.17999965167736D+01 0.14181189782600D-14
|
|
2 1 1 2 0.99992957438874D+00 0.12646229693403D-14
|
|
3 1 1 2 0.93330926643327D+00 0.58036147499936D-15
|
|
1 2 1 2 -0.39041301919277D+01 0.39031278209478D-17
|
|
2 2 1 2 -0.20424505034909D+01 0.22512644840752D-15
|
|
3 2 1 2 -0.19821942920131D+01 0.63141923855054D-15
|
|
1 1 2 2 0.99992955838591D+00 0.11923519459546D-14
|
|
2 1 2 2 0.18450137373384D+01 0.18223021279578D-14
|
|
3 1 2 2 0.94831554802769D+00 0.96000016319102D-15
|
|
1 2 2 2 -0.20424505034909D+01 -0.28280600398375D-15
|
|
2 2 2 2 -0.39458090235460D+01 0.19081958235745D-16
|
|
3 2 2 2 -0.19960880501898D+01 0.84813293882823D-16
|
|
1 1 3 2 0.93330778366905D+00 0.97806540548914D-15
|
|
2 1 3 2 0.94831373311080D+00 0.13211325835612D-14
|
|
3 1 3 2 0.21662147044155D+01 0.95675231021041D-14
|
|
1 2 3 2 -0.19821942920131D+01 -0.56181345907697D-15
|
|
2 2 3 2 -0.19960880501898D+01 -0.95221634738684D-16
|
|
3 2 3 2 -0.64197838938941D+01 0.24286128663675D-16
|
|
Band: 2
|
|
1 1 1 1 -0.54756717540009D+01 -0.12490009027033D-15
|
|
2 1 1 1 -0.27428212690363D+01 -0.10181787409491D-15
|
|
3 1 1 1 -0.27394971673394D+01 0.17837720355870D-15
|
|
1 2 1 1 -0.19072441559142D+00 0.17866089902902D-15
|
|
2 2 1 1 -0.10187589613215D+00 0.55592151373309D-15
|
|
3 2 1 1 -0.97533800019140D-01 -0.50704789469295D-16
|
|
1 1 2 1 -0.27428212690363D+01 -0.13981727257091D-17
|
|
2 1 2 1 -0.54780239148498D+01 -0.34694469519536D-16
|
|
3 1 2 1 -0.27402817430298D+01 -0.29244989188653D-15
|
|
1 2 2 1 -0.10187599800629D+00 0.21222256202722D-15
|
|
2 2 2 1 -0.19361098889944D+00 -0.27867307691205D-15
|
|
3 2 2 1 -0.98496190363978D-01 0.35884945582881D-15
|
|
1 1 3 1 -0.27394971673394D+01 -0.92508391497845D-16
|
|
2 1 3 1 -0.27402817430298D+01 0.25602069889102D-15
|
|
3 1 3 1 -0.15633591039476D+02 0.76327832942980D-16
|
|
1 2 3 1 -0.97532970415323D-01 0.14248866558053D-15
|
|
2 2 3 1 -0.98494879928669D-01 -0.38123173220015D-15
|
|
3 2 3 1 0.29270153535760D+01 -0.21080630090363D-16
|
|
1 1 1 2 -0.19072441559142D+00 -0.35560269357866D-15
|
|
2 1 1 2 -0.10187599800629D+00 -0.12201694127643D-15
|
|
3 1 1 2 -0.97532970415323D-01 -0.54502582717008D-15
|
|
1 2 1 2 -0.54756719499675D+01 -0.27755575615629D-15
|
|
2 2 1 2 -0.27428215450873D+01 0.37186521468374D-16
|
|
3 2 1 2 -0.27394980460003D+01 0.48713162547083D-16
|
|
1 1 2 2 -0.10187589613215D+00 -0.39676063481222D-15
|
|
2 1 2 2 -0.19361098889944D+00 -0.25995856237875D-15
|
|
3 1 2 2 -0.98494879928669D-01 -0.35969263772275D-16
|
|
1 2 2 2 -0.27428215450873D+01 -0.27211861481508D-16
|
|
2 2 2 2 -0.54780239829181D+01 0.27755575615629D-16
|
|
3 2 2 2 -0.27402820938808D+01 0.18440756331544D-15
|
|
1 1 3 2 -0.97533800019140D-01 -0.39208337777379D-15
|
|
2 1 3 2 -0.98496190363978D-01 0.20642645185082D-15
|
|
3 1 3 2 0.29270153535760D+01 0.97170909492565D-15
|
|
1 2 3 2 -0.27394980460003D+01 0.12475918505060D-15
|
|
2 2 3 2 -0.27402820938808D+01 -0.60074119754988D-15
|
|
3 2 3 2 -0.15633590140738D+02 -0.19428902930940D-15
|
|
Band: 3
|
|
1 1 1 1 -0.28267106973751D+02 -0.93588331528949D-15
|
|
2 1 1 1 -0.31466318483128D+02 -0.14480162040540D-13
|
|
3 1 1 1 -0.19931438193720D+02 -0.43034922498837D-14
|
|
1 2 1 1 -0.42293539688137D+01 -0.94292122529867D-14
|
|
2 2 1 1 0.20364602799381D+01 0.36719531555465D-13
|
|
3 2 1 1 0.16305593918255D+00 0.11110339895235D-13
|
|
1 1 2 1 -0.31466318483128D+02 0.13345652887251D-13
|
|
2 1 2 1 -0.27907006676629D+02 0.30531133177192D-15
|
|
3 1 2 1 -0.19837431982953D+02 -0.10522950421577D-14
|
|
1 2 2 1 0.20364602385100D+01 0.28035338879421D-13
|
|
2 2 2 1 -0.11424442907197D+02 -0.22079456840336D-13
|
|
3 2 2 1 -0.24297696766730D+01 0.59838474937155D-14
|
|
1 1 3 1 -0.19931438193720D+02 0.41612449248536D-14
|
|
2 1 3 1 -0.19837431982953D+02 0.19422081853338D-14
|
|
3 1 3 1 -0.21644376265142D+02 -0.86736173798841D-16
|
|
1 2 3 1 0.16305657004781D+00 0.78111963406799D-14
|
|
2 2 3 1 -0.24297687151394D+01 0.25515520957317D-14
|
|
3 2 3 1 0.40583160644122D+00 0.64975067815173D-14
|
|
1 1 1 2 -0.42293539688137D+01 0.10270119457966D-13
|
|
2 1 1 2 0.20364602385100D+01 -0.27299816125607D-13
|
|
3 1 1 2 0.16305657004781D+00 -0.57971823850708D-14
|
|
1 2 1 2 -0.28267106752310D+02 0.13600232051658D-14
|
|
2 2 1 2 -0.31466317919706D+02 0.18318531062265D-13
|
|
3 2 1 2 -0.19931438322810D+02 0.68340880225783D-14
|
|
1 1 2 2 0.20364602799381D+01 -0.37545259930030D-13
|
|
2 1 2 2 -0.11424442907197D+02 0.20643105802227D-13
|
|
3 1 2 2 -0.24297687151394D+01 -0.34189138337201D-14
|
|
1 2 2 2 -0.31466317919706D+02 -0.15175212123795D-13
|
|
2 2 2 2 -0.27907008419462D+02 0.33306690738755D-15
|
|
3 2 2 2 -0.19837432313054D+02 -0.66577888422869D-14
|
|
1 1 3 2 0.16305593918255D+00 -0.94970470625766D-14
|
|
2 1 3 2 -0.24297696766730D+01 -0.75503027925226D-14
|
|
3 1 3 2 0.40583160644122D+00 -0.60915814881387D-14
|
|
1 2 3 2 -0.19931438322810D+02 -0.65738795011818D-14
|
|
2 2 3 2 -0.19837432313054D+02 0.64357442373619D-14
|
|
3 2 3 2 -0.21644375837244D+02 0.44408920985006D-15
|
|
Band: 4
|
|
1 1 1 1 -0.46766177600864D+01 0.45796699765788D-15
|
|
2 1 1 1 0.14994457053542D+02 -0.10083175569013D-13
|
|
3 1 1 1 0.64222895864288D+00 -0.35221043324499D-14
|
|
1 2 1 1 -0.19357658483019D+02 -0.71870260637497D-14
|
|
2 2 1 1 -0.13829966104018D+02 0.96254820416816D-14
|
|
3 2 1 1 -0.92153024470396D+01 0.28465387029407D-14
|
|
1 1 2 1 0.14994457053542D+02 0.10067563057730D-13
|
|
2 1 2 1 -0.50367155690332D+01 0.27755575615629D-15
|
|
3 1 2 1 0.11879195069008D+01 0.16737133722363D-14
|
|
1 2 2 1 -0.13829968158753D+02 -0.15879182686393D-13
|
|
2 2 2 1 -0.12162571085279D+02 -0.57691236218520D-15
|
|
3 2 2 1 -0.72488705569902D+01 -0.17461242321197D-14
|
|
1 1 3 1 0.64222895864288D+00 0.27865815786358D-14
|
|
2 1 3 1 0.11879195069008D+01 -0.13822798282722D-14
|
|
3 1 3 1 -0.89356133894737D+01 -0.11969591984240D-15
|
|
1 2 3 1 -0.92153031624088D+01 -0.62036481074266D-14
|
|
2 2 3 1 -0.72488700487330D+01 0.18921909288174D-14
|
|
3 2 3 1 -0.42449474539618D+01 -0.83730597812371D-16
|
|
1 1 1 2 -0.19357658483019D+02 0.92409386593063D-14
|
|
2 1 1 2 -0.13829968158753D+02 0.16024899458375D-13
|
|
3 1 1 2 -0.92153031624088D+01 0.69946820124720D-14
|
|
1 2 1 2 -0.46766192728776D+01 0.22204460492503D-15
|
|
2 2 1 2 0.14994454106481D+02 -0.16740315384272D-13
|
|
3 2 1 2 0.64222738127898D+00 -0.64662928540253D-14
|
|
1 1 2 2 -0.13829966104018D+02 -0.95977264660659D-14
|
|
2 1 2 2 -0.12162571085279D+02 -0.33902163313055D-15
|
|
3 1 2 2 -0.72488700487330D+01 -0.25166913801691D-14
|
|
1 2 2 2 0.14994454106481D+02 0.17520940948462D-13
|
|
2 2 2 2 -0.50367196466114D+01 0.29837243786801D-15
|
|
3 2 2 2 0.11879171268458D+01 0.32656394925897D-14
|
|
1 1 3 2 -0.92153024470396D+01 -0.33895071509215D-14
|
|
2 1 3 2 -0.72488705569902D+01 0.18502076406783D-14
|
|
3 1 3 2 -0.42449474539618D+01 -0.24239741567127D-15
|
|
1 2 3 2 0.64222738127898D+00 0.62442482491003D-14
|
|
2 2 3 2 0.11879171268458D+01 -0.30089004181451D-14
|
|
3 2 3 2 -0.89356142975230D+01 0.36082248300318D-15
|
|
Band: 5
|
|
1 1 1 1 0.27376458935112D+02 0.77715611723761D-15
|
|
2 1 1 1 0.38146802961742D+02 -0.12032318166678D-13
|
|
3 1 1 1 0.30450064652806D+02 -0.96059086597488D-14
|
|
1 2 1 1 -0.47167307973411D+02 0.24923663336849D-14
|
|
2 2 1 1 -0.34513194722366D+02 0.61118752814742D-14
|
|
3 2 1 1 -0.35206602193740D+02 0.54597179847094D-14
|
|
1 1 2 1 0.38146802961742D+02 0.11310673200672D-13
|
|
2 1 2 1 0.14743414720505D+02 -0.17347234759768D-16
|
|
3 1 2 1 0.24686925967393D+02 0.25568279481901D-16
|
|
1 2 2 1 -0.34513195149498D+02 -0.60916172706613D-14
|
|
2 2 2 1 -0.29558220086086D+02 -0.25325711664610D-14
|
|
3 2 2 1 -0.27902741981154D+02 -0.21888454036859D-14
|
|
1 1 3 1 0.30450064652806D+02 0.10008364506175D-13
|
|
2 1 3 1 0.24686925967393D+02 -0.37251297467726D-15
|
|
3 1 3 1 0.17824773856509D+02 0.27755575615629D-16
|
|
1 2 3 1 -0.35206603978306D+02 -0.38825284804102D-14
|
|
2 2 3 1 -0.27902743181856D+02 -0.47225227148897D-14
|
|
3 2 3 1 -0.27740125279970D+02 -0.21150797299592D-14
|
|
1 1 1 2 -0.47167307973411D+02 -0.29286492878930D-14
|
|
2 1 1 2 -0.34513195149498D+02 0.54879335010214D-14
|
|
3 1 1 2 -0.35206603978306D+02 0.45278456134736D-14
|
|
1 2 1 2 0.27376468768799D+02 0.44408920985006D-15
|
|
2 2 1 2 0.38146812014035D+02 0.17889061760555D-14
|
|
3 2 1 2 0.30450072626033D+02 -0.18128128224223D-14
|
|
1 1 2 2 -0.34513194722366D+02 -0.56816638594319D-14
|
|
2 1 2 2 -0.29558220086086D+02 0.33513606471220D-14
|
|
3 1 2 2 -0.27902743181856D+02 0.37927109317661D-14
|
|
1 2 2 2 0.38146812014035D+02 -0.27672902165064D-14
|
|
2 2 2 2 0.14743424461605D+02 -0.23071822230492D-15
|
|
3 2 2 2 0.24686931302898D+02 -0.34655797773037D-14
|
|
1 1 3 2 -0.35206602193740D+02 -0.56401292262110D-14
|
|
2 1 3 2 -0.27902741981154D+02 0.27285612451492D-14
|
|
3 1 3 2 -0.27740125279970D+02 0.20751810900117D-14
|
|
1 2 3 2 0.30450072626033D+02 0.17052599669117D-14
|
|
2 2 3 2 0.24686931302898D+02 0.38940564758699D-14
|
|
3 2 3 2 0.17824778671200D+02 0.27755575615629D-15
|
|
Band: 6
|
|
1 1 1 1 -0.22079020472213D+02 0.70082828429463D-15
|
|
2 1 1 1 -0.35498085950279D+02 -0.20212105392696D-14
|
|
3 1 1 1 -0.18445100141464D+02 0.15160212276281D-14
|
|
1 2 1 1 -0.91158097570731D+01 -0.19938287093976D-14
|
|
2 2 1 1 0.63716340467374D+01 0.15427963116414D-14
|
|
3 2 1 1 -0.22672972552717D+01 -0.38703439136866D-14
|
|
1 1 2 1 -0.35498085950279D+02 0.29926556858166D-14
|
|
2 1 2 1 -0.94459769064628D+01 0.18041124150159D-15
|
|
3 1 2 1 -0.14318476675276D+02 0.18427647920782D-14
|
|
1 2 2 1 0.63716373235893D+01 -0.36035897182851D-14
|
|
2 2 2 1 -0.26724896784713D+02 -0.65256035600102D-14
|
|
3 2 2 1 -0.79400869918694D+01 -0.69781520298575D-14
|
|
1 1 3 1 -0.18445100141464D+02 -0.69029285306316D-15
|
|
2 1 3 1 -0.14318476675276D+02 -0.25678792050365D-14
|
|
3 1 3 1 -0.18037699427953D+02 -0.25500435096859D-15
|
|
1 2 3 1 -0.22672968826349D+01 0.39046245462282D-16
|
|
2 2 3 1 -0.79400866724875D+01 -0.10795418630444D-14
|
|
3 2 3 1 -0.42936232126875D+01 -0.22556379684032D-14
|
|
1 1 1 2 -0.91158097570731D+01 0.42697859098791D-14
|
|
2 1 1 2 0.63716373235893D+01 0.46652404855829D-14
|
|
3 1 1 2 -0.22672968826349D+01 0.64270008059660D-15
|
|
1 2 1 2 -0.22079023765189D+02 -0.88817841970013D-15
|
|
2 2 1 2 -0.35498088082291D+02 -0.24861556387424D-14
|
|
3 2 1 2 -0.18445102515111D+02 0.15995316827078D-14
|
|
1 1 2 2 0.63716340467374D+01 -0.28685651503418D-15
|
|
2 1 2 2 -0.26724896784713D+02 0.67198925893196D-14
|
|
3 1 2 2 -0.79400866724875D+01 0.11905641655069D-14
|
|
1 2 2 2 -0.35498088082291D+02 0.11851130317598D-14
|
|
2 2 2 2 -0.94459842106741D+01 -0.18873791418628D-14
|
|
3 2 2 2 -0.14318478375146D+02 0.54813852142020D-14
|
|
1 1 3 2 -0.22672972552717D+01 0.53986352960222D-14
|
|
2 1 3 2 -0.79400869918694D+01 0.67838630005481D-14
|
|
3 1 3 2 -0.42936232126875D+01 0.28523828441392D-14
|
|
1 2 3 2 -0.18445102515111D+02 -0.85707003498975D-15
|
|
2 2 3 2 -0.14318478375146D+02 -0.38160506772642D-14
|
|
3 2 3 2 -0.18037700216985D+02 -0.11934897514720D-14
|
|
Band: 7
|
|
1 1 1 1 -0.63691026499467D+01 0.48572257327351D-16
|
|
2 1 1 1 -0.93727488276916D+01 -0.11406899497637D-14
|
|
3 1 1 1 -0.52472837106769D+01 0.41406633170294D-15
|
|
1 2 1 1 0.46986748011362D+01 -0.21484893300211D-14
|
|
2 2 1 1 0.83718053034531D+01 -0.10058906585700D-14
|
|
3 2 1 1 0.43568265485983D+01 0.12171061104086D-15
|
|
1 1 2 1 -0.93727488276916D+01 0.11465446414951D-14
|
|
2 1 2 1 -0.85418109551175D+01 0.42327252813834D-15
|
|
3 1 2 1 -0.59715199449126D+01 0.18795711437451D-14
|
|
1 2 2 1 0.83718033420848D+01 -0.20927993682352D-14
|
|
2 2 2 1 0.67958853907816D+01 -0.18372743594649D-14
|
|
3 2 2 1 0.50558968550752D+01 -0.26122183455455D-15
|
|
1 1 3 1 -0.52472837106769D+01 -0.46957748293420D-15
|
|
2 1 3 1 -0.59715199449126D+01 -0.19073267193607D-14
|
|
3 1 3 1 -0.66963376018677D+01 -0.18041124150159D-15
|
|
1 2 3 1 0.43568255100884D+01 -0.17242548310039D-14
|
|
2 2 3 1 0.50558966862146D+01 -0.69288469652812D-15
|
|
3 2 3 1 0.24884478539489D+01 -0.51904499314507D-15
|
|
1 1 1 2 0.46986748011362D+01 0.23844117227539D-14
|
|
2 1 1 2 0.83718033420848D+01 0.21452747533835D-14
|
|
3 1 1 2 0.43568255100884D+01 0.15542519303582D-14
|
|
1 2 1 2 -0.63691009349196D+01 -0.55511151231258D-16
|
|
2 2 1 2 -0.93727481068419D+01 0.12637592879351D-15
|
|
3 2 1 2 -0.52472831829248D+01 0.40934775774348D-15
|
|
1 1 2 2 0.83718053034531D+01 0.78167764929998D-15
|
|
2 1 2 2 0.67958853907816D+01 0.15180852398852D-14
|
|
3 1 2 2 0.50558966862146D+01 0.64778188615272D-15
|
|
1 2 2 2 -0.93727481068419D+01 -0.33026121742513D-16
|
|
2 2 2 2 -0.85418092554057D+01 -0.45102810375397D-16
|
|
3 2 2 2 -0.59715197474463D+01 -0.66213492768998D-15
|
|
1 1 3 2 0.43568265485983D+01 -0.19109955007993D-15
|
|
2 1 3 2 0.50558968550752D+01 0.96423104336748D-16
|
|
3 1 3 2 0.24884478539489D+01 0.56067835656851D-15
|
|
1 2 3 2 -0.52472831829248D+01 -0.85343696759355D-15
|
|
2 2 3 2 -0.59715197474463D+01 0.47825423923644D-15
|
|
3 2 3 2 -0.66963383294065D+01 -0.18041124150159D-15
|
|
Band: 8
|
|
1 1 1 1 -0.11612519253827D+02 -0.42327252813834D-15
|
|
2 1 1 1 -0.57081384248814D+01 -0.39891069953746D-16
|
|
3 1 1 1 -0.57735590618864D+01 0.51034804583788D-14
|
|
1 2 1 1 0.15755177405893D+01 -0.74547415241789D-15
|
|
2 2 1 1 0.88729604970188D+00 -0.42942538321766D-15
|
|
3 2 1 1 0.82094441742036D+00 0.30164461733522D-15
|
|
1 1 2 1 -0.57081384248814D+01 0.19395619866394D-15
|
|
2 1 2 1 -0.11578282593952D+02 -0.16653345369377D-15
|
|
3 1 2 1 -0.57621394016147D+01 0.97728703643370D-15
|
|
1 2 2 1 0.88729594385072D+00 0.38267263657625D-15
|
|
2 2 2 1 0.16103993322580D+01 -0.97122520971736D-15
|
|
3 2 2 1 0.83256464292066D+00 0.26472730435222D-14
|
|
1 1 3 1 -0.57735590618864D+01 -0.56186933307439D-14
|
|
2 1 3 1 -0.57621394016147D+01 -0.85238694616337D-15
|
|
3 1 3 1 -0.23681682372634D+02 0.66960326172705D-15
|
|
1 2 3 1 0.82092932710383D+00 -0.38646303335888D-14
|
|
2 2 3 1 0.83256491692336D+00 -0.93052411162823D-15
|
|
3 2 3 1 -0.82201834762479D+01 -0.66541718661347D-14
|
|
1 1 1 2 0.15755177405893D+01 0.19036264010531D-15
|
|
2 1 1 2 0.88729594385072D+00 -0.11279532099428D-14
|
|
3 1 1 2 0.82092932710382D+00 0.29764519138887D-14
|
|
1 2 1 2 -0.11612520338318D+02 -0.94368957093138D-15
|
|
2 2 1 2 -0.57081391735153D+01 -0.74275213297292D-15
|
|
3 2 1 2 -0.57735447027144D+01 -0.34615205737037D-15
|
|
1 1 2 2 0.88729604970188D+00 0.79328363230380D-15
|
|
2 1 2 2 0.16103993322580D+01 0.69366945356107D-15
|
|
3 1 2 2 0.83256491692336D+00 0.13520619162906D-14
|
|
1 2 2 2 -0.57081391735153D+01 0.68203681131373D-15
|
|
2 2 2 2 -0.11578283185357D+02 -0.55511151231258D-16
|
|
3 2 2 2 -0.57621410384259D+01 0.10957032041544D-14
|
|
1 1 3 2 0.82094441742036D+00 -0.25307236000787D-15
|
|
2 1 3 2 0.83256464292066D+00 -0.24460451203089D-14
|
|
3 1 3 2 -0.82201834762479D+01 0.76551073117734D-14
|
|
1 2 3 2 -0.57735447027144D+01 0.10816748111845D-14
|
|
2 2 3 2 -0.57621410384259D+01 -0.34630266253242D-15
|
|
3 2 3 2 -0.23681656114697D+02 -0.75633943552589D-15
|
|
K-point: 5.00000000E-01 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.96443363649437D+01 0.14571677198205D-15
|
|
2 1 1 1 -0.40133794958071D+01 -0.97701458322421D-16
|
|
3 1 1 1 -0.73550723895669D+01 0.55610354938881D-16
|
|
1 2 1 1 0.10670341278696D+01 0.14281937587627D-15
|
|
2 2 1 1 0.24555943252888D+01 0.13753410974506D-14
|
|
3 2 1 1 0.13435897987481D+01 0.75078154315767D-15
|
|
1 1 2 1 -0.40133794958071D+01 0.54333371423001D-16
|
|
2 1 2 1 -0.80162647508211D+01 -0.11102230246252D-15
|
|
3 1 2 1 -0.40028844573979D+01 -0.48063182894103D-15
|
|
1 2 2 1 0.24424638281656D+01 0.96582231313347D-15
|
|
2 2 2 1 0.49002090019739D+01 0.29516940019971D-14
|
|
3 2 2 1 0.24577458161722D+01 0.14280000753333D-14
|
|
1 1 3 1 -0.73550723895669D+01 0.35204966191567D-15
|
|
2 1 3 1 -0.40028844573979D+01 0.43552901856563D-15
|
|
3 1 3 1 -0.96338416972414D+01 -0.14051260155412D-15
|
|
1 2 3 1 0.13304584381750D+01 0.12132967608062D-15
|
|
2 2 3 1 0.24446133656371D+01 0.91889820749528D-15
|
|
3 2 3 1 0.10691844325715D+01 0.33857494359961D-16
|
|
1 1 1 2 0.10670341278696D+01 0.13473638028002D-15
|
|
2 1 1 2 0.24424638281656D+01 -0.10074556765569D-14
|
|
3 1 1 2 0.13304584381750D+01 -0.64868561277757D-15
|
|
1 2 1 2 -0.88637872816661D+01 0.72164496600635D-15
|
|
2 2 1 2 -0.39112695946846D+01 -0.54865127426359D-15
|
|
3 2 1 2 -0.66870164357686D+01 -0.33881990744169D-15
|
|
1 1 2 2 0.24555943252888D+01 -0.14551383773455D-14
|
|
2 1 2 2 0.49002090019739D+01 -0.30288891966781D-14
|
|
3 1 2 2 0.24446133656371D+01 -0.89634680230758D-15
|
|
1 2 2 2 -0.39112695946846D+01 0.48359914391446D-15
|
|
2 2 2 2 -0.78377372668895D+01 -0.10408340855861D-15
|
|
3 2 2 2 -0.39264687192673D+01 -0.14606568200652D-15
|
|
1 1 3 2 0.13435897987481D+01 -0.30669233330760D-15
|
|
2 1 3 2 0.24577458161722D+01 -0.16014724229310D-14
|
|
3 1 3 2 0.10691844325715D+01 -0.11712422120685D-15
|
|
1 2 3 2 -0.66870164357686D+01 0.39433105867294D-15
|
|
2 2 3 2 -0.39264687192673D+01 0.14606568200652D-15
|
|
3 2 3 2 -0.88789866068419D+01 -0.22204460492503D-15
|
|
Band: 2
|
|
1 1 1 1 -0.94992313365172D+01 -0.17347234759768D-15
|
|
2 1 1 1 -0.22128317972013D+01 -0.17248631914607D-15
|
|
3 1 1 1 -0.59579684442229D+01 0.67067132947917D-16
|
|
1 2 1 1 0.17004173783195D+01 0.17287438791020D-14
|
|
2 2 1 1 -0.28885543927017D+00 0.63900602459846D-17
|
|
3 2 1 1 -0.37869831713300D+00 0.13786610335106D-16
|
|
1 1 2 1 -0.22128317972013D+01 0.30779475027227D-15
|
|
2 1 2 1 -0.44104643124371D+01 -0.11709654061874D-30
|
|
3 1 2 1 -0.21976325628198D+01 0.31193608801289D-17
|
|
1 2 2 1 -0.27572435080817D+00 -0.39704961634725D-15
|
|
2 2 2 1 -0.56673086729113D+00 -0.13882744044244D-14
|
|
3 2 2 1 -0.29100693648693D+00 -0.10288939214333D-15
|
|
1 1 3 1 -0.59579684442229D+01 0.15671219545309D-15
|
|
2 1 3 1 -0.21976325628198D+01 0.92507270733093D-16
|
|
3 1 3 1 -0.94840322051454D+01 -0.44408920985006D-15
|
|
1 2 3 1 -0.36556597066495D+00 -0.12233866140573D-14
|
|
2 2 3 1 -0.27787410280676D+00 -0.18377554593287D-15
|
|
3 2 3 1 0.16982662752443D+01 0.22402200395971D-14
|
|
1 1 1 2 0.17004173783195D+01 -0.18467050754684D-14
|
|
2 1 1 2 -0.27572435080817D+00 0.65378869079182D-15
|
|
3 1 1 2 -0.36556597066495D+00 0.11852226975858D-14
|
|
1 2 1 2 -0.10256411653803D+02 0.19428902930940D-15
|
|
2 2 1 2 -0.22892482992019D+01 0.11207117260252D-15
|
|
3 2 1 2 -0.66283499129700D+01 0.18758225330057D-14
|
|
1 1 2 2 -0.28885543927017D+00 -0.12435125661241D-15
|
|
2 1 2 2 -0.56673086729113D+00 0.12455933985253D-14
|
|
3 1 2 2 -0.27787410280676D+00 0.19591861026471D-15
|
|
1 2 2 2 -0.22892482992019D+01 -0.23600275327700D-16
|
|
2 2 2 2 -0.45889907990187D+01 -0.41633363423443D-16
|
|
3 2 2 2 -0.22997438129359D+01 0.42753474235915D-16
|
|
1 1 3 2 -0.37869831713300D+00 -0.13868670060544D-15
|
|
2 1 3 2 -0.29100693648693D+00 0.25794385533592D-15
|
|
3 1 3 2 0.16982662752443D+01 -0.18585808748822D-14
|
|
1 2 3 2 -0.66283499129700D+01 -0.12651998694619D-14
|
|
2 2 3 2 -0.22997438129359D+01 0.10296329774614D-15
|
|
3 2 3 2 -0.10266905701858D+02 0.91593399531575D-15
|
|
Band: 3
|
|
1 1 1 1 -0.14097131337608D+02 0.15959455978987D-15
|
|
2 1 1 1 -0.17865834461054D+02 -0.26764679922480D-13
|
|
3 1 1 1 -0.79176398357439D+01 -0.19750012423068D-14
|
|
1 2 1 1 -0.29429614508245D+01 -0.17798553885596D-13
|
|
2 2 1 1 -0.11558923284964D+01 -0.68563636319087D-14
|
|
3 2 1 1 -0.29858458736457D+01 -0.21892123536985D-13
|
|
1 1 2 1 -0.17865834461054D+02 0.26894784183178D-13
|
|
2 1 2 1 -0.33735747141442D+02 0.74940054162198D-15
|
|
3 1 2 1 -0.15869915920803D+02 0.25310861851286D-13
|
|
1 2 2 1 -0.12343814770194D+01 -0.26389541267660D-13
|
|
2 2 2 1 -0.23810954230752D+01 0.23032458771411D-15
|
|
3 2 2 1 -0.11467129614730D+01 -0.26359016269316D-13
|
|
1 1 3 1 -0.79176398357439D+01 0.15517287141685D-14
|
|
2 1 3 1 -0.15869915920803D+02 -0.25449639729364D-13
|
|
3 1 3 1 -0.12101213111757D+02 -0.20816681711722D-15
|
|
1 2 3 1 -0.30643359674368D+01 -0.19438256555357D-13
|
|
2 2 3 1 -0.12252047470031D+01 -0.50859989476754D-14
|
|
3 2 3 1 -0.29337843343961D+01 -0.22957987562792D-13
|
|
1 1 1 2 -0.29429614508245D+01 0.17982434574050D-13
|
|
2 1 1 2 -0.12343814770194D+01 0.26764241538471D-13
|
|
3 1 1 2 -0.30643359674368D+01 0.20142554286603D-13
|
|
1 2 1 2 -0.12113120571106D+02 0.13877787807814D-15
|
|
2 2 1 2 -0.15904939368749D+02 0.32741033936449D-14
|
|
3 2 1 2 -0.79407510723863D+01 0.29104302846616D-14
|
|
1 1 2 2 -0.11558923284964D+01 0.59404296365930D-14
|
|
2 1 2 2 -0.23810954230752D+01 -0.37604135969616D-15
|
|
3 1 2 2 -0.12252047470031D+01 0.51137545232910D-14
|
|
1 2 2 2 -0.15904939368749D+02 -0.31353255155667D-14
|
|
2 2 2 2 -0.33828814670842D+02 0.55511151231258D-16
|
|
3 2 2 2 -0.17923873906507D+02 -0.12563615136828D-14
|
|
1 1 3 2 -0.29858458736457D+01 0.20188625083575D-13
|
|
2 1 3 2 -0.11467129614730D+01 0.27538628232980D-13
|
|
3 1 3 2 -0.29337843343961D+01 0.22585238855892D-13
|
|
1 2 3 2 -0.79407510723863D+01 -0.28132857700069D-14
|
|
2 2 3 2 -0.17923873906507D+02 0.11314614234125D-14
|
|
3 2 3 2 -0.14132054470790D+02 0.69388939039075D-17
|
|
Band: 4
|
|
1 1 1 1 -0.15010853417731D+02 0.11796119636642D-15
|
|
2 1 1 1 -0.41986071185826D+01 0.29741763758196D-14
|
|
3 1 1 1 -0.14397304025747D+01 0.69515593090863D-14
|
|
1 2 1 1 0.17556505552524D+00 0.41140897417485D-14
|
|
2 2 1 1 0.64587514900823D-01 0.83882204879273D-15
|
|
3 2 1 1 0.32375569777058D+01 -0.43368553337625D-14
|
|
1 1 2 1 -0.41986071185826D+01 -0.32517321319759D-14
|
|
2 1 2 1 -0.10393132740419D+02 0.41199682554449D-16
|
|
3 1 2 1 -0.61945259258284D+01 -0.24336650727878D-14
|
|
1 2 2 1 0.14307746182350D+00 0.36202040971198D-14
|
|
2 2 2 1 0.19848724692256D+00 -0.17782799921397D-15
|
|
3 2 2 1 0.55409103647393D-01 0.33552066420819D-14
|
|
1 1 3 1 -0.14397304025747D+01 -0.74060568597923D-14
|
|
2 1 3 1 -0.61945259258284D+01 0.26365192992598D-14
|
|
3 1 3 1 -0.17006774555551D+02 0.23592239273285D-15
|
|
1 2 3 1 0.33160469656957D+01 0.71803650776959D-14
|
|
2 2 3 1 0.13389984215268D+00 -0.51417309795382D-15
|
|
3 2 3 1 0.16638641190308D+00 -0.10294295536882D-14
|
|
1 1 1 2 0.17556505552524D+00 -0.30524389744507D-14
|
|
2 1 1 2 0.14307746182350D+00 -0.30480706106992D-14
|
|
3 1 1 2 0.33160469656957D+01 -0.72094216959185D-14
|
|
1 2 1 2 -0.17041700596378D+02 -0.13877787807814D-15
|
|
2 2 1 2 -0.62063382136644D+01 0.36463684073200D-16
|
|
3 2 1 2 -0.14166151918975D+01 0.25155891982148D-14
|
|
1 1 2 2 0.64587514900823D-01 -0.70351361766654D-15
|
|
2 1 2 2 0.19848724692256D+00 0.20428253222261D-15
|
|
3 1 2 2 0.13389984215268D+00 -0.84306501258177D-16
|
|
1 2 2 2 -0.62063382136644D+01 0.23762262513114D-15
|
|
2 2 2 2 -0.10393741346079D+02 0.27538735181132D-16
|
|
3 2 2 2 -0.41874037765368D+01 0.22309988853962D-15
|
|
1 1 3 2 0.32375569777058D+01 0.45866555143031D-14
|
|
2 1 3 2 0.55409103647394D-01 -0.30776508859256D-14
|
|
3 1 3 2 0.16638641190308D+00 0.55758476822251D-15
|
|
1 2 3 2 -0.14166151918975D+01 -0.25086503043109D-14
|
|
2 2 3 2 -0.41874037765368D+01 -0.25779435805916D-15
|
|
3 2 3 2 -0.15022765744965D+02 -0.55511151231258D-16
|
|
Band: 5
|
|
1 1 1 1 -0.78817261649426D+01 0.83266726846887D-16
|
|
2 1 1 1 -0.63533961876350D+01 -0.13366506443003D-14
|
|
3 1 1 1 -0.64184032322416D+01 -0.52666250228731D-15
|
|
1 2 1 1 0.36400088500652D+01 -0.28899934137548D-14
|
|
2 2 1 1 0.70406395064817D+01 -0.30021226300345D-14
|
|
3 2 1 1 0.38492781723873D+01 -0.24652085526236D-14
|
|
1 1 2 1 -0.63533961876350D+01 0.13670083051299D-14
|
|
2 1 2 1 -0.12738338883315D+02 0.97144514654701D-16
|
|
3 1 2 1 -0.63849409807746D+01 -0.10780685191044D-14
|
|
1 2 2 1 0.70441007058394D+01 -0.50927441069671D-14
|
|
2 2 2 1 0.14087335526040D+02 -0.86689866915715D-14
|
|
3 2 2 1 0.70432491518611D+01 -0.60450982791044D-14
|
|
1 1 3 1 -0.64184032322416D+01 0.11182032075954D-14
|
|
2 1 3 1 -0.63849409807746D+01 0.10125827078863D-14
|
|
3 1 3 1 -0.79132710919821D+01 0.70776717819854D-15
|
|
1 2 3 1 0.38527322343048D+01 -0.27945112219578D-14
|
|
2 2 3 1 0.70466949093250D+01 -0.54222144834508D-14
|
|
3 2 3 1 0.36426105848745D+01 -0.34369834710500D-14
|
|
1 1 1 2 0.36400088500652D+01 0.27789711112923D-14
|
|
2 1 1 2 0.70441007058394D+01 0.53043803710363D-14
|
|
3 1 1 2 0.38527322343048D+01 0.26140999804562D-14
|
|
1 2 1 2 -0.77745029491319D+01 -0.16653345369377D-15
|
|
2 2 1 2 -0.63779206716532D+01 -0.67107053073330D-15
|
|
3 2 1 2 -0.62821437767516D+01 0.84702383986614D-15
|
|
1 1 2 2 0.70406395064817D+01 0.29153864562356D-14
|
|
2 1 2 2 0.14087335526040D+02 0.88493979330731D-14
|
|
3 1 2 2 0.70466949093250D+01 0.54777256346820D-14
|
|
1 2 2 2 -0.63779206716532D+01 0.52535375875124D-15
|
|
2 2 2 2 -0.12731873265448D+02 0.34694469519536D-16
|
|
3 2 2 2 -0.63539674497265D+01 0.23405816343671D-14
|
|
1 1 3 2 0.38492781723873D+01 0.26178642185095D-14
|
|
2 1 3 2 0.70432491518611D+01 0.61375807244174D-14
|
|
3 1 3 2 0.36426105848745D+01 0.31871832905094D-14
|
|
1 2 3 2 -0.62821437767516D+01 -0.73600153740363D-15
|
|
2 2 3 2 -0.63539674497265D+01 -0.22868052066118D-14
|
|
3 2 3 2 -0.77505492312036D+01 0.38857805861880D-15
|
|
Band: 6
|
|
1 1 1 1 -0.72565880465711D+01 -0.69388939039072D-16
|
|
2 1 1 1 -0.14840417853865D+01 0.24413480718465D-15
|
|
3 1 1 1 -0.18095844747047D+01 -0.97589355169773D-15
|
|
1 2 1 1 0.35131116125980D+01 -0.17137956978092D-14
|
|
2 2 1 1 -0.19234470046096D+00 -0.25001274252260D-15
|
|
3 2 1 1 -0.32437329717137D+01 0.18984041193823D-14
|
|
1 1 2 1 -0.14840417853865D+01 -0.56332392676438D-15
|
|
2 1 2 1 -0.29920364520169D+01 -0.18041124150159D-15
|
|
3 1 2 1 -0.15079951113105D+01 0.48407616421496D-15
|
|
1 2 2 1 -0.19579979977230D+00 -0.29869627579073D-16
|
|
2 2 2 1 -0.39074632289479D+00 -0.45973929232044D-15
|
|
3 2 2 1 -0.19494763772294D+00 -0.65886198030534D-15
|
|
1 1 3 1 -0.18095844747047D+01 0.82323788581177D-15
|
|
2 1 3 1 -0.15079951113105D+01 -0.39733999041612D-15
|
|
3 1 3 1 -0.72805392157138D+01 0.69388939039072D-16
|
|
1 2 3 1 -0.32471866823396D+01 -0.15665408698201D-15
|
|
2 2 3 1 -0.19840111814901D+00 0.99381050895315D-16
|
|
3 2 3 1 0.35105077772942D+01 -0.68786245583495D-15
|
|
1 1 1 2 0.35131116125980D+01 0.17137956978092D-14
|
|
2 1 1 2 -0.19579979977230D+00 -0.13688066654920D-15
|
|
3 1 1 2 -0.32471866823396D+01 0.57298772121644D-15
|
|
1 2 1 2 -0.74091408933937D+01 0.24651903288157D-31
|
|
2 2 1 2 -0.15150280425864D+01 -0.97063961671658D-16
|
|
3 2 1 2 -0.19356749089250D+01 -0.73693331899955D-15
|
|
1 1 2 2 -0.19234470046096D+00 0.13378626963216D-15
|
|
2 1 2 2 -0.39074632289479D+00 0.45973929232044D-15
|
|
3 1 2 2 -0.19840111814901D+00 -0.23053217952336D-16
|
|
1 2 2 2 -0.15150280425864D+01 0.22890294584590D-15
|
|
2 2 2 2 -0.29985090413140D+01 -0.83266726846887D-16
|
|
3 2 2 2 -0.14834818658247D+01 -0.71162681895449D-16
|
|
1 1 3 2 -0.32437329717137D+01 -0.20510597852683D-14
|
|
2 1 3 2 -0.19494763772294D+00 0.73518981324832D-15
|
|
3 1 3 2 0.35105077772942D+01 0.25765103379271D-15
|
|
1 2 3 2 -0.19356749089250D+01 0.79244447023081D-15
|
|
2 2 3 2 -0.14834818658247D+01 0.29529318472005D-16
|
|
3 2 3 2 -0.73775936179803D+01 -0.55511151231258D-16
|
|
Band: 7
|
|
1 1 1 1 -0.37500089816671D+02 -0.38857805861880D-15
|
|
2 1 1 1 -0.40710688649610D+02 -0.19592498858457D-14
|
|
3 1 1 1 -0.17552784008438D+02 0.24961199856928D-14
|
|
1 2 1 1 -0.74507417335581D+01 -0.50556768874209D-14
|
|
2 2 1 1 -0.68748553403324D+01 -0.54444106093913D-14
|
|
3 2 1 1 -0.69756731083102D+01 -0.50290035900353D-14
|
|
1 1 2 1 -0.40710688649610D+02 0.22298667480981D-14
|
|
2 1 2 1 -0.66115333401049D+02 0.39204750557076D-15
|
|
3 1 2 1 -0.25404633694410D+02 0.56468873763427D-15
|
|
1 2 2 1 -0.68120109174366D+01 -0.11520535436803D-14
|
|
2 2 2 1 -0.13667033427601D+02 -0.27205977953689D-17
|
|
3 2 2 1 -0.68550323680862D+01 -0.14437337424526D-14
|
|
1 1 3 1 -0.17552784008438D+02 -0.33565428297773D-14
|
|
2 1 3 1 -0.25404633694410D+02 -0.33570523880533D-15
|
|
3 1 3 1 -0.22194030964817D+02 -0.55511151231258D-15
|
|
1 2 3 1 -0.69128284440058D+01 -0.52786943260818D-14
|
|
2 2 3 1 -0.67921846182276D+01 -0.66011575581919D-14
|
|
3 2 3 1 -0.74309201872380D+01 -0.21973558341594D-14
|
|
1 1 1 2 -0.74507417335581D+01 0.38691260298527D-14
|
|
2 1 1 2 -0.68120109174366D+01 -0.65205887133561D-15
|
|
3 1 1 2 -0.69128284440058D+01 0.30582482768315D-14
|
|
1 2 1 2 -0.22169307280508D+02 0.56898930012039D-15
|
|
2 2 1 2 -0.25375749812003D+02 0.58273283088392D-15
|
|
3 2 1 2 -0.17548649665890D+02 -0.42933100362442D-14
|
|
1 1 2 2 -0.68748553403324D+01 0.13712798877978D-14
|
|
2 1 2 2 -0.13667033427601D+02 -0.38585746082344D-15
|
|
3 1 2 2 -0.67921846182276D+01 0.55880790482214D-14
|
|
1 2 2 2 -0.25375749812003D+02 -0.10047970456237D-15
|
|
2 2 2 2 -0.66097644075036D+02 -0.22898349882894D-14
|
|
3 2 2 2 -0.40721888200171D+02 -0.51978420003972D-14
|
|
1 1 3 2 -0.69756731083102D+01 0.52996204522877D-14
|
|
2 1 3 2 -0.68550323680862D+01 -0.58589272444027D-15
|
|
3 1 3 2 -0.74309201872380D+01 0.21834780463516D-14
|
|
1 2 3 2 -0.17548649665890D+02 0.49386271693075D-14
|
|
2 2 3 2 -0.40721888200171D+02 0.37545520683844D-14
|
|
3 2 3 2 -0.37515445407545D+02 0.52735593669695D-15
|
|
Band: 8
|
|
1 1 1 1 -0.20732120714390D+02 -0.33306690738755D-15
|
|
2 1 1 1 -0.47875736671144D+01 -0.22202673670635D-14
|
|
3 1 1 1 0.23164432139167D+01 0.34008876152347D-14
|
|
1 2 1 1 -0.88823090760603D+01 -0.60472238300545D-14
|
|
2 2 1 1 -0.30847928220798D+00 0.57412966802846D-15
|
|
3 2 1 1 0.33594317695554D+00 -0.29047082256140D-14
|
|
1 1 2 1 -0.47875736671144D+01 0.14639279315376D-14
|
|
2 1 2 1 -0.24881214571754D+02 0.42457357074532D-15
|
|
3 1 2 1 -0.20093628428220D+02 0.61647869321278D-15
|
|
1 2 2 1 -0.37132387927599D+00 -0.53535434537625D-15
|
|
2 2 2 1 -0.69961405097457D+00 0.23837279426671D-15
|
|
3 2 2 1 -0.32830294290304D+00 -0.92315265697424D-15
|
|
1 1 3 1 0.23164432139167D+01 -0.40670214300098D-14
|
|
2 1 3 1 -0.20093628428220D+02 0.14679963621702D-15
|
|
3 1 3 1 -0.36038162657401D+02 -0.47184478546569D-15
|
|
1 2 3 1 0.27307595727821D+00 -0.49471900123141D-14
|
|
2 2 3 1 -0.39114977436980D+00 -0.98030555589915D-15
|
|
3 2 3 1 -0.89021249562768D+01 0.62026043509687D-15
|
|
1 1 1 2 -0.88823090760603D+01 0.51868009859700D-14
|
|
2 1 1 2 -0.37132387927599D+00 0.11511811793480D-14
|
|
3 1 1 2 0.27307595727821D+00 0.38139782354318D-15
|
|
1 2 1 2 -0.36053498590895D+02 0.66613381477509D-15
|
|
2 2 1 2 -0.20113119230233D+02 0.99511369957051D-15
|
|
3 2 1 2 0.23122941526301D+01 0.16689122391982D-14
|
|
1 1 2 2 -0.30847928220798D+00 -0.70249920525074D-15
|
|
2 1 2 2 -0.69961405097457D+00 0.18432953769055D-14
|
|
3 1 2 2 -0.39114977436980D+00 0.22709398220259D-14
|
|
1 2 2 2 -0.20113119230233D+02 -0.81817190502088D-15
|
|
2 2 2 2 -0.24880115731066D+02 -0.16653345369377D-15
|
|
3 2 2 2 -0.47669810195954D+01 0.21817741221329D-15
|
|
1 1 3 2 0.33594317695554D+00 0.37096199184672D-14
|
|
2 1 3 2 -0.32830294290304D+00 0.22926326658352D-15
|
|
3 1 3 2 -0.89021249562768D+01 -0.58660642264507D-14
|
|
1 2 3 2 0.23122941526301D+01 -0.14885009976966D-14
|
|
2 2 3 2 -0.47669810195954D+01 0.29009656624792D-15
|
|
3 2 3 2 -0.20707392953374D+02 -0.83266726846887D-15
|
|
K-point: 0.00000000E+00 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.79595529383694D+01 -0.75677311639488D-16
|
|
2 1 1 1 -0.39808619180077D+01 0.54903743295611D-15
|
|
3 1 1 1 -0.39786946086924D+01 -0.17806515755439D-15
|
|
1 2 1 1 0.49130121365839D+01 -0.61126814147050D-15
|
|
2 2 1 1 0.24552334273516D+01 -0.61794648516784D-15
|
|
3 2 1 1 0.24577744981170D+01 -0.73722414070775D-15
|
|
1 1 2 1 -0.39808619180077D+01 -0.42218577877531D-15
|
|
2 1 2 1 -0.93589571252078D+01 -0.22898349882894D-15
|
|
3 1 2 1 -0.71112220486901D+01 -0.14138743254862D-14
|
|
1 2 2 1 0.24576667663331D+01 0.22962593034962D-15
|
|
2 2 2 1 0.10669758853994D+01 0.89400600594307D-15
|
|
3 2 2 1 0.13394611552131D+01 -0.50997901582078D-15
|
|
1 1 3 1 -0.39786946086924D+01 0.16234422605335D-15
|
|
2 1 3 1 -0.71112220486901D+01 0.46042693500246D-15
|
|
3 1 3 1 -0.93567900938972D+01 -0.61929628092372D-15
|
|
1 2 3 1 0.24553416479441D+01 -0.57867866213743D-15
|
|
2 2 3 1 0.13370280080037D+01 -0.25717229928021D-16
|
|
3 2 3 1 0.10670840351986D+01 0.45517871040394D-15
|
|
1 1 1 2 0.49130121365839D+01 0.58307888498588D-15
|
|
2 1 1 2 0.24576667663331D+01 -0.38618472405653D-15
|
|
3 1 1 2 0.24553416479441D+01 0.48283519008971D-15
|
|
1 2 1 2 -0.79099344231096D+01 0.43368086899420D-16
|
|
2 2 1 2 -0.39537662584342D+01 0.18018946991629D-15
|
|
3 2 1 2 -0.39561726602717D+01 -0.15073853993370D-15
|
|
1 1 2 2 0.24552334273516D+01 0.50865890618130D-15
|
|
2 1 2 2 0.10669758853994D+01 -0.10054619892746D-14
|
|
3 1 2 2 0.13370280080037D+01 0.19051596014582D-15
|
|
1 2 2 2 -0.39537662584342D+01 -0.17672002296433D-15
|
|
2 2 2 2 -0.91474214482435D+01 -0.76327832942980D-16
|
|
3 2 2 2 -0.69297370995848D+01 0.75243238781789D-15
|
|
1 1 3 2 0.24577744981170D+01 0.55160872877823D-15
|
|
2 1 3 2 0.13394611552131D+01 0.26061251614911D-15
|
|
3 1 3 2 0.10670840351986D+01 -0.44823981650003D-15
|
|
1 2 3 2 -0.39561726602717D+01 0.44920407899115D-16
|
|
2 2 3 2 -0.69297370995848D+01 -0.45145786473591D-15
|
|
3 2 3 2 -0.91498277405275D+01 0.22898349882894D-15
|
|
Band: 2
|
|
1 1 1 1 -0.44710363410198D+01 0.91615083575025D-16
|
|
2 1 1 1 -0.22367206172320D+01 0.82793175640013D-16
|
|
3 1 1 1 -0.22343143966671D+01 0.26025879150792D-15
|
|
1 2 1 1 -0.57328286743104D+00 0.11230145872146D-14
|
|
2 2 1 1 -0.28537003764733D+00 0.22752825145156D-15
|
|
3 2 1 1 -0.28791284483787D+00 0.90943429112051D-16
|
|
1 1 2 1 -0.22367206172320D+01 0.62137549766987D-16
|
|
2 1 2 1 -0.97704843511992D+01 -0.20816681711722D-16
|
|
3 1 2 1 -0.62001849736635D+01 0.27950168912432D-15
|
|
1 2 2 1 -0.28780402621815D+00 0.40677016434964D-15
|
|
2 2 2 1 0.17004748968480D+01 -0.50784906633289D-14
|
|
3 2 2 1 -0.37144662619290D+00 0.58923658073457D-15
|
|
1 1 3 1 -0.22343143966671D+01 -0.48588646120860D-16
|
|
2 1 3 1 -0.62001849736635D+01 0.19147573460338D-15
|
|
3 1 3 1 -0.97680807074449D+01 0.10408340855861D-15
|
|
1 2 3 1 -0.28547946709229D+00 0.11713735062288D-15
|
|
2 2 3 1 -0.36901190053245D+00 -0.11082796541463D-14
|
|
3 2 3 1 0.17003637028702D+01 -0.23879340805242D-14
|
|
1 1 1 2 -0.57328286743104D+00 -0.11844888503946D-14
|
|
2 1 1 2 -0.28780402621815D+00 -0.65830506836627D-15
|
|
3 1 1 2 -0.28547946709229D+00 -0.11969739891783D-16
|
|
1 2 1 2 -0.45206507215650D+01 -0.47704895589362D-16
|
|
2 2 1 2 -0.22592412835522D+01 0.26964457686469D-15
|
|
3 2 1 2 -0.22614103628123D+01 -0.15702642674707D-15
|
|
1 1 2 2 -0.28537003764733D+00 -0.29604982875265D-15
|
|
2 1 2 2 0.17004748968480D+01 0.52042581153373D-14
|
|
3 1 2 2 -0.36901190053245D+00 0.19201302409035D-14
|
|
1 2 2 2 -0.22592412835522D+01 -0.33816615416578D-15
|
|
2 2 2 2 -0.99869033291636D+01 0.38163916471490D-15
|
|
3 2 2 2 -0.63911258721430D+01 0.84299328213390D-15
|
|
1 1 3 2 -0.28791284483787D+00 0.44663620666733D-17
|
|
2 1 3 2 -0.37144662619290D+00 -0.83903676127523D-15
|
|
3 1 3 2 0.17003637028702D+01 0.25128341707945D-14
|
|
1 2 3 2 -0.22614103628123D+01 0.14314863893926D-15
|
|
2 2 3 2 -0.63911258721430D+01 -0.31142695376753D-16
|
|
3 2 3 2 -0.99890738079646D+01 0.65919492087119D-15
|
|
Band: 3
|
|
1 1 1 1 -0.33948223959787D+02 -0.28406096919120D-16
|
|
2 1 1 1 -0.17201358583624D+02 -0.42167032783839D-14
|
|
3 1 1 1 -0.16746853003182D+02 -0.47796879243114D-14
|
|
1 2 1 1 -0.23905955938274D+01 0.16793289812300D-14
|
|
2 2 1 1 -0.12038381279667D+01 0.42256055990652D-14
|
|
3 2 1 1 -0.11867445150330D+01 0.45826899303541D-14
|
|
1 1 2 1 -0.17201358583624D+02 0.47759347589519D-14
|
|
2 1 2 1 -0.13233153289970D+02 0.27603787311481D-15
|
|
3 1 2 1 -0.78829968101430D+01 -0.15440762608702D-14
|
|
1 2 2 1 -0.11860387671734D+01 0.13815934453044D-14
|
|
2 2 2 1 -0.30373477554760D+01 0.69364598931000D-15
|
|
3 2 2 1 -0.31354599748340D+01 0.14120533515856D-14
|
|
1 1 3 1 -0.16746853003182D+02 0.47354524756740D-14
|
|
2 1 3 1 -0.78829968101430D+01 0.13236579592039D-14
|
|
3 1 3 1 -0.12778646263897D+02 -0.17043658151472D-15
|
|
1 2 3 1 -0.12045552516578D+01 0.10304296899486D-14
|
|
2 2 3 1 -0.31532646683105D+01 -0.22729449540909D-15
|
|
3 2 3 1 -0.30380584787279D+01 0.44552691191992D-15
|
|
1 1 1 2 -0.23905955938274D+01 -0.10400833803325D-14
|
|
2 1 1 2 -0.11860387671734D+01 -0.35820901745809D-14
|
|
3 1 1 2 -0.12045552516578D+01 -0.78583367983589D-15
|
|
1 2 1 2 -0.33911204354431D+02 -0.18821749714348D-15
|
|
2 2 1 2 -0.16727668157070D+02 0.16374889138129D-14
|
|
3 2 1 2 -0.17183531811898D+02 0.14003172959738D-14
|
|
1 1 2 2 -0.12038381279667D+01 -0.49004130312202D-14
|
|
2 1 2 2 -0.30373477554760D+01 -0.17735113531056D-14
|
|
3 1 2 2 -0.31532646683105D+01 -0.97966156336565D-16
|
|
1 2 2 2 -0.16727668157070D+02 -0.16036618060314D-14
|
|
2 2 2 2 -0.12768701027589D+02 0.21684043449710D-16
|
|
3 2 2 2 -0.78737368757226D+01 -0.17413199319284D-14
|
|
1 1 3 2 -0.11867445150330D+01 -0.31220527635817D-14
|
|
2 1 3 2 -0.31354599748340D+01 -0.24281676276390D-14
|
|
3 1 3 2 -0.30380584787279D+01 -0.10331644894071D-14
|
|
1 2 3 2 -0.17183531811898D+02 -0.16917508399379D-14
|
|
2 2 3 2 -0.78737368757226D+01 0.18471380639630D-14
|
|
3 2 3 2 -0.13224565442157D+02 0.21684043449710D-16
|
|
Band: 4
|
|
1 1 1 1 -0.10247342685454D+02 -0.25316120727537D-16
|
|
2 1 1 1 -0.48964184976265D+01 -0.25188716180433D-15
|
|
3 1 1 1 -0.53509242404113D+01 0.11532793906373D-14
|
|
1 2 1 1 0.21460357634987D+00 -0.36768742167457D-15
|
|
2 2 1 1 0.11584816909105D+00 -0.19068663114641D-15
|
|
3 2 1 1 0.98754563014302D-01 -0.75496284378225D-15
|
|
1 1 2 1 -0.48964184976265D+01 0.14194906151430D-15
|
|
2 1 2 1 -0.15907502814965D+02 0.20643209364124D-15
|
|
3 1 2 1 -0.14750307200559D+01 0.16886303984171D-14
|
|
1 2 2 1 0.98043666435093D-01 -0.12953945096329D-15
|
|
2 2 2 1 0.26995341643439D+00 -0.11355695811609D-14
|
|
3 2 2 1 0.33904833164056D+01 0.14488415134495D-14
|
|
1 1 3 1 -0.53509242404113D+01 -0.99875347600383D-15
|
|
2 1 3 1 -0.14750307200559D+01 -0.14874024752038D-14
|
|
3 1 3 1 -0.16362005284992D+02 -0.19428902930940D-15
|
|
1 2 3 1 0.11655984566448D+00 -0.24905836700029D-15
|
|
2 2 3 1 0.34082881133957D+01 -0.44883384005705D-15
|
|
3 2 3 1 0.27066780505541D+00 -0.20024612113172D-15
|
|
1 1 1 2 0.21460357634987D+00 0.38545478477618D-15
|
|
2 1 1 2 0.98043666435093D-01 0.98436401140111D-16
|
|
3 1 1 2 0.11655984566448D+00 0.43268155743786D-15
|
|
1 2 1 2 -0.10247330574771D+02 0.38489177123235D-17
|
|
2 2 1 2 -0.53515970746327D+01 -0.50723098183249D-15
|
|
3 2 1 2 -0.48957330920648D+01 0.55709219164901D-15
|
|
1 1 2 2 0.11584816909105D+00 -0.11223945584604D-15
|
|
2 1 2 2 0.26995341643439D+00 0.23910756968991D-14
|
|
3 1 2 2 0.34082881133957D+01 0.57698653684484D-15
|
|
1 2 2 2 -0.53515970746327D+01 0.49563001858690D-15
|
|
2 2 2 2 -0.16353441262636D+02 0.12836953722228D-15
|
|
3 2 2 2 -0.14842918139770D+01 -0.18480769988760D-14
|
|
1 1 3 2 0.98754563014303D-01 0.11746575047514D-14
|
|
2 1 3 2 0.33904833164056D+01 -0.22285997159011D-14
|
|
3 1 3 2 0.27066780505541D+00 0.86811465938279D-15
|
|
1 2 3 2 -0.48957330920648D+01 -0.31311959778546D-15
|
|
2 2 3 2 -0.14842918139770D+01 0.22019605879753D-14
|
|
3 2 3 2 -0.15897574529708D+02 0.18388068845354D-15
|
|
Band: 5
|
|
1 1 1 1 -0.11471909901889D+02 0.25478751053409D-16
|
|
2 1 1 1 -0.57269915431118D+01 -0.66237188903952D-15
|
|
3 1 1 1 -0.57449505105503D+01 0.56620887264583D-15
|
|
1 2 1 1 0.12789565470015D+02 0.77205310049525D-14
|
|
2 2 1 1 0.63936402313742D+01 0.30216094661059D-14
|
|
3 2 1 1 0.63959925346471D+01 0.34365400222873D-14
|
|
1 1 2 1 -0.57269915431118D+01 0.55178326744600D-15
|
|
2 1 2 1 -0.78621421319493D+01 0.52041704279304D-17
|
|
3 1 2 1 -0.63733691865425D+01 0.83207278382091D-15
|
|
1 2 2 1 0.63886398454878D+01 0.51065709593339D-14
|
|
2 2 2 1 0.33242455009280D+01 0.23984597197380D-14
|
|
3 2 2 1 0.35109523886669D+01 0.19941745406757D-14
|
|
1 1 3 1 -0.57449505105503D+01 -0.69783101638557D-15
|
|
2 1 3 1 -0.63733691865425D+01 -0.81819499601309D-15
|
|
3 1 3 1 -0.78801061668756D+01 -0.69388939039073D-17
|
|
1 2 3 1 0.64009575236474D+01 0.42689612293735D-14
|
|
2 2 3 1 0.35159329597619D+01 0.87558807520237D-15
|
|
3 2 3 1 0.33315787453304D+01 0.13704301928759D-14
|
|
1 1 1 2 0.12789565470015D+02 -0.79490808229124D-14
|
|
2 1 1 2 0.63886398454878D+01 -0.49886097629675D-14
|
|
3 1 1 2 0.64009575236474D+01 -0.44602144926000D-14
|
|
1 2 1 2 -0.11452795617142D+02 -0.57245874707235D-16
|
|
2 2 1 2 -0.57268768154259D+01 0.80492755755904D-15
|
|
3 2 1 2 -0.57259860526802D+01 -0.10332694388888D-14
|
|
1 1 2 2 0.63936402313742D+01 -0.30996720225248D-14
|
|
2 1 2 2 0.33242455009280D+01 -0.23498874624106D-14
|
|
3 1 2 2 0.35159329597619D+01 -0.46619333487184D-15
|
|
1 2 2 2 -0.57268768154259D+01 -0.69217053162054D-15
|
|
2 2 2 2 -0.71682269049999D+01 0.31225022567583D-16
|
|
3 2 2 2 -0.56709627875975D+01 -0.12887956854197D-14
|
|
1 1 3 2 0.63959925346471D+01 -0.34773060239728D-14
|
|
2 1 3 2 0.35109523886669D+01 -0.21555038239415D-14
|
|
3 1 3 2 0.33315787453304D+01 -0.12247134208938D-14
|
|
1 2 3 2 -0.57259860526802D+01 0.10853111431681D-14
|
|
2 2 3 2 -0.56709627875975D+01 0.12506317689482D-14
|
|
3 2 3 2 -0.71673358052742D+01 0.13877787807814D-16
|
|
Band: 6
|
|
1 1 1 1 -0.30112105954420D+01 0.20654051385849D-16
|
|
2 1 1 1 -0.15051575964730D+01 -0.46393557811464D-16
|
|
3 1 1 1 -0.15060529965443D+01 -0.60886619102481D-16
|
|
1 2 1 1 -0.34169943613272D+00 -0.27177711807504D-15
|
|
2 2 1 1 -0.16967577540255D+00 0.79968778499935D-16
|
|
3 2 1 1 -0.17202353307278D+00 -0.27595565268326D-15
|
|
1 1 2 1 -0.15051575964730D+01 0.93430991438390D-16
|
|
2 1 2 1 -0.72892780993034D+01 -0.31225022567583D-15
|
|
3 1 2 1 -0.12258056371766D+01 0.96224214602644D-15
|
|
1 2 2 1 -0.16470621666504D+00 -0.11633424149407D-15
|
|
2 2 2 1 0.38288775840427D+01 0.12554974216457D-16
|
|
3 2 2 1 -0.35297334811284D+01 0.31676783033402D-15
|
|
1 1 3 1 -0.15060529965443D+01 0.45355422981626D-16
|
|
2 1 3 1 -0.12258056371766D+01 -0.14306174845402D-14
|
|
3 1 3 1 -0.72902229568645D+01 -0.54080004363577D-15
|
|
1 2 3 1 -0.17699030221509D+00 -0.51592167585012D-16
|
|
2 2 3 1 -0.35347352266110D+01 0.10534461985208D-14
|
|
3 2 3 1 0.38215778805702D+01 -0.11526013244363D-14
|
|
1 1 1 2 -0.34169943613272D+00 0.23946789333498D-15
|
|
2 1 1 2 -0.16470621666504D+00 0.16729174360088D-15
|
|
3 1 1 2 -0.17699030221509D+00 0.14548407572226D-15
|
|
1 2 1 2 -0.30304419586492D+01 0.26020852139652D-16
|
|
2 2 1 2 -0.15241886310040D+01 -0.12870335782582D-15
|
|
3 2 1 2 -0.15062574745790D+01 0.18121141607186D-15
|
|
1 1 2 2 -0.16967577540255D+00 -0.83871906320883D-16
|
|
2 1 2 2 0.38288775840427D+01 -0.62428274150790D-16
|
|
3 1 2 2 -0.35347352266110D+01 -0.10603850924247D-14
|
|
1 2 2 2 -0.15241886310040D+01 0.40105494355418D-15
|
|
2 2 2 2 -0.80023136039801D+01 0.23939183968480D-15
|
|
3 2 2 2 -0.19285186912288D+01 -0.73161874050516D-15
|
|
1 1 3 2 -0.17202353307278D+00 0.28072614224220D-15
|
|
2 1 3 2 -0.35297334811284D+01 -0.48677073097974D-15
|
|
3 1 3 2 0.38215778805702D+01 0.85769833352024D-15
|
|
1 2 3 2 -0.15062574745790D+01 -0.18988503345175D-15
|
|
2 2 3 2 -0.19285186912288D+01 0.12702503797960D-14
|
|
3 2 3 2 -0.79843652148126D+01 0.29837243786801D-15
|
|
Band: 7
|
|
1 1 1 1 -0.68704785675260D+02 0.31641356201817D-14
|
|
2 1 1 1 -0.36170143724580D+02 0.76789757164699D-14
|
|
3 1 1 1 -0.32534657526384D+02 0.70677414745048D-14
|
|
1 2 1 1 -0.14502084373863D+02 -0.50666603313966D-15
|
|
2 2 1 1 -0.72532465237380D+01 -0.55814103947772D-14
|
|
3 2 1 1 -0.72488244343274D+01 -0.23332362507098D-14
|
|
1 1 2 1 -0.36170143724580D+02 -0.60041002004143D-14
|
|
2 1 2 1 -0.31266478787313D+02 0.43368086899421D-17
|
|
3 1 2 1 -0.18307860822477D+02 -0.54851442444170D-15
|
|
1 2 2 1 -0.72682045209817D+01 -0.10096954894137D-13
|
|
2 2 2 1 -0.78573115862548D+01 -0.63139076159120D-14
|
|
3 2 2 1 -0.79037434271733D+01 -0.46423863743317D-14
|
|
1 1 3 1 -0.32534657526384D+02 -0.43693248975143D-14
|
|
2 1 3 1 -0.18307860822477D+02 0.12454395809154D-14
|
|
3 1 3 1 -0.27631015320780D+02 0.58720389661815D-15
|
|
1 2 3 1 -0.72340803573885D+01 -0.77535520719777D-14
|
|
2 2 3 1 -0.78888756721461D+01 -0.42987914496247D-14
|
|
3 2 3 1 -0.78380322116399D+01 -0.43455319893860D-14
|
|
1 1 1 2 -0.14502084373863D+02 -0.34020996391051D-14
|
|
2 1 1 2 -0.72682045209817D+01 0.99343245682640D-14
|
|
3 1 1 2 -0.72340803573885D+01 0.96617478955522D-14
|
|
1 2 1 2 -0.68630270942942D+02 -0.69388939039072D-17
|
|
2 2 1 2 -0.32477906751036D+02 -0.12961209620961D-13
|
|
3 2 1 2 -0.36152164424339D+02 -0.81610469634230D-14
|
|
1 1 2 2 -0.72532465237380D+01 0.70463843702396D-14
|
|
2 1 2 2 -0.78573115862548D+01 0.77866878470163D-14
|
|
3 1 2 2 -0.78888756721461D+01 0.56076403122492D-14
|
|
1 2 2 2 -0.32477906751036D+02 0.13613465647928D-13
|
|
2 2 2 2 -0.27593032519948D+02 0.83266726846887D-16
|
|
3 2 2 2 -0.18289387953714D+02 0.22413723111126D-14
|
|
1 1 3 2 -0.72488244343274D+01 0.19377192981870D-14
|
|
2 1 3 2 -0.79037434271733D+01 0.65592558152861D-14
|
|
3 1 3 2 -0.78380322116399D+01 0.59727026098522D-14
|
|
1 2 3 2 -0.36152164424339D+02 0.85843194915614D-14
|
|
2 2 3 2 -0.18289387953714D+02 -0.14676856408269D-14
|
|
3 2 3 2 -0.31267279976776D+02 0.31571967262778D-15
|
|
Band: 8
|
|
1 1 1 1 -0.22297350849251D+02 -0.47108584394495D-16
|
|
2 1 1 1 -0.93309311544940D+01 0.35840437320293D-15
|
|
3 1 1 1 -0.12966416947789D+02 0.26970914829201D-15
|
|
1 2 1 1 0.11290197474636D+00 -0.39903388805604D-15
|
|
2 2 1 1 0.58660542308145D-01 0.23896873370367D-15
|
|
3 2 1 1 0.54237470304225D-01 -0.52053221531545D-15
|
|
1 1 2 1 -0.93309311544940D+01 -0.36830008843732D-16
|
|
2 1 2 1 -0.26979794239173D+02 0.65919492087119D-15
|
|
3 1 2 1 0.30826788598819D+01 -0.12392041712133D-14
|
|
1 2 2 1 0.73516871425572D-01 -0.22654379362367D-14
|
|
2 2 2 1 -0.84757029608839D+01 0.28809435121790D-14
|
|
3 2 2 1 0.12527340975567D+01 0.69999051746918D-15
|
|
1 1 3 1 -0.12966416947789D+02 -0.20292229446690D-15
|
|
2 1 3 1 0.30826788598819D+01 0.10865485053274D-14
|
|
3 1 3 1 -0.30615171668144D+02 0.68695049648682D-15
|
|
1 2 3 1 0.39393265929610D-01 0.11743405447661D-14
|
|
2 2 3 1 0.12378579485254D+01 -0.15229261548232D-14
|
|
3 2 3 1 -0.84950591994633D+01 0.27009906513726D-15
|
|
1 1 1 2 0.11290197474636D+00 0.11952719635294D-14
|
|
2 1 1 2 0.73516871425572D-01 0.10085223576743D-14
|
|
3 1 1 2 0.39393265929611D-01 0.12542723216015D-14
|
|
1 2 1 2 -0.22297116476493D+02 0.45807541787513D-16
|
|
2 2 1 2 -0.12985691834381D+02 0.65213061717787D-15
|
|
3 2 1 2 -0.93114340501136D+01 0.82128706969435D-16
|
|
1 1 2 2 0.58660542308145D-01 0.21957156648298D-14
|
|
2 1 2 2 -0.84757029608839D+01 -0.11462200362022D-14
|
|
3 1 2 2 0.12378579485254D+01 0.70413667416219D-15
|
|
1 2 2 2 -0.12985691834381D+02 -0.10959585006613D-15
|
|
2 2 2 2 -0.30615788118632D+02 0.38684333514283D-15
|
|
3 2 2 2 0.30642717382741D+01 0.23986886403305D-14
|
|
1 1 3 2 0.54237470304226D-01 -0.17846984438232D-14
|
|
2 1 3 2 0.12527340975567D+01 -0.11891825376946D-14
|
|
3 1 3 2 -0.84950591994633D+01 -0.22286018695151D-14
|
|
1 2 3 2 -0.93114340501135D+01 0.20274541385113D-15
|
|
2 2 3 2 0.30642717382741D+01 -0.18921493853453D-14
|
|
3 2 3 2 -0.26941474446565D+02 -0.34694469519536D-15
|
|
K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.73366888767702D+01 -0.26367796834847D-15
|
|
2 1 1 1 -0.52724500333345D+01 -0.15456450191675D-14
|
|
3 1 1 1 -0.53441103943880D+01 0.58988922499304D-16
|
|
1 2 1 1 0.30621581171206D+01 0.49249541462094D-14
|
|
2 2 1 1 0.20455704259194D+01 0.16718565402737D-14
|
|
3 2 1 1 0.21235421339687D+01 -0.85456760288176D-15
|
|
1 1 2 1 -0.52724500333345D+01 0.12767628803911D-14
|
|
2 1 2 1 -0.73578599434811D+01 -0.46273748721681D-15
|
|
3 1 2 1 -0.53229427393304D+01 0.17345254107595D-14
|
|
1 2 2 1 0.20455714493270D+01 0.32224588633563D-14
|
|
2 2 2 1 0.30851126970745D+01 0.12622446702510D-14
|
|
3 2 2 1 0.21005883518158D+01 -0.16737177303911D-14
|
|
1 1 3 1 -0.53441103943880D+01 -0.28797242132824D-15
|
|
2 1 3 1 -0.53229427393304D+01 -0.15914107239915D-14
|
|
3 1 3 1 -0.72861975713664D+01 0.16826817716975D-15
|
|
1 2 3 1 0.21235438016897D+01 0.55279169332118D-14
|
|
2 2 3 1 0.21005887036472D+01 0.29366199284881D-14
|
|
3 2 3 1 0.30071393212012D+01 0.12394612138483D-14
|
|
1 1 1 2 0.30621581171206D+01 -0.50429153425758D-14
|
|
2 1 1 2 0.20455714493270D+01 -0.33655735501244D-14
|
|
3 1 1 2 0.21235438016897D+01 -0.54689363350286D-14
|
|
1 2 1 2 -0.73366902320768D+01 0.18041124150159D-15
|
|
2 2 1 2 -0.52724498141951D+01 0.18618010089522D-14
|
|
3 2 1 2 -0.53441105545446D+01 0.44376109639798D-14
|
|
1 1 2 2 0.20455704259194D+01 -0.18227774826837D-14
|
|
2 1 2 2 0.30851126970745D+01 -0.13333683327661D-14
|
|
3 1 2 2 0.21005887036472D+01 -0.29253442258942D-14
|
|
1 2 2 2 -0.52724498141951D+01 -0.17369009186818D-14
|
|
2 2 2 2 -0.73578570225110D+01 0.13877787807814D-16
|
|
3 2 2 2 -0.53229413923589D+01 0.26360117656016D-14
|
|
1 1 3 2 0.21235421339687D+01 0.76783142908291D-15
|
|
2 1 3 2 0.21005883518158D+01 0.15800426626884D-14
|
|
3 1 3 2 0.30071393212012D+01 -0.12637473425120D-14
|
|
1 2 3 2 -0.53441105545446D+01 -0.36465770589344D-14
|
|
2 2 3 2 -0.53229413923589D+01 -0.21919225557515D-14
|
|
3 2 3 2 -0.72861957783360D+01 0.30531133177192D-15
|
|
Band: 2
|
|
1 1 1 1 -0.16209363292534D+02 -0.11102230246252D-15
|
|
2 1 1 1 -0.13464899998919D+02 -0.10706155808139D-15
|
|
3 1 1 1 -0.13468916378794D+02 -0.41150190635789D-15
|
|
1 2 1 1 0.34712079806690D+01 0.49231579760223D-14
|
|
2 2 1 1 0.35739017560848D+01 0.75756535898811D-14
|
|
3 2 1 1 0.35688774849732D+01 0.55679210247375D-14
|
|
1 1 2 1 -0.13464899998919D+02 -0.73349683420199D-16
|
|
2 1 2 1 -0.16210554026810D+02 -0.21510571102112D-15
|
|
3 1 2 1 -0.13467726086051D+02 -0.58859945688981D-15
|
|
1 2 2 1 0.35739021986445D+01 0.57622530848282D-14
|
|
2 2 2 1 0.34697325431749D+01 0.72212349139826D-14
|
|
3 2 2 1 0.35703532968960D+01 0.53515582066564D-14
|
|
1 1 3 1 -0.13468916378794D+02 0.55721867833994D-15
|
|
2 1 3 1 -0.13467726086051D+02 0.53829247608648D-15
|
|
3 1 3 1 -0.16206537744636D+02 -0.18041124150159D-15
|
|
1 2 3 1 0.35688785869039D+01 0.49351842205316D-14
|
|
2 2 3 1 0.35703538163658D+01 0.65998299958468D-14
|
|
3 2 3 1 0.34747556141846D+01 0.40813292555614D-14
|
|
1 1 1 2 0.34712079806690D+01 -0.47774412040403D-14
|
|
2 1 1 2 0.35739021986445D+01 -0.60745033105041D-14
|
|
3 1 1 2 0.35688785869039D+01 -0.44772172228738D-14
|
|
1 2 1 2 -0.16209366528010D+02 0.44408920985006D-15
|
|
2 2 1 2 -0.13464903163622D+02 -0.17429900434254D-15
|
|
3 2 1 2 -0.13468918941127D+02 -0.38024630994177D-15
|
|
1 1 2 2 0.35739017560848D+01 -0.63335915810817D-14
|
|
2 1 2 2 0.34697325431749D+01 -0.70547014602888D-14
|
|
3 1 2 2 0.35703538163658D+01 -0.65720744202312D-14
|
|
1 2 2 2 -0.13464903163622D+02 0.86818839473327D-15
|
|
2 2 2 2 -0.16210557183610D+02 0.27755575615629D-15
|
|
3 2 2 2 -0.13467728742615D+02 -0.19461771210904D-15
|
|
1 1 3 2 0.35688774849732D+01 -0.46953551163211D-14
|
|
2 1 3 2 0.35703532968960D+01 -0.47110115631520D-14
|
|
3 1 3 2 0.34747556141846D+01 -0.38306617132828D-14
|
|
1 2 3 2 -0.13468918941127D+02 0.82433551979183D-15
|
|
2 2 3 2 -0.13467728742615D+02 -0.10266276149786D-14
|
|
3 2 3 2 -0.16206539389296D+02 -0.22204460492503D-15
|
|
Band: 3
|
|
1 1 1 1 -0.11285275976016D+02 -0.57245874707234D-16
|
|
2 1 1 1 -0.33978371183135D+01 -0.18273255723851D-14
|
|
3 1 1 1 -0.10288448701702D+02 0.21149989559145D-14
|
|
1 2 1 1 -0.67297781147151D+01 -0.63080897188519D-14
|
|
2 2 1 1 0.59471920363795D+01 0.56302065555982D-14
|
|
3 2 1 1 0.28499789585893D+01 0.55583445917048D-15
|
|
1 1 2 1 -0.33978371183135D+01 0.17310484194684D-14
|
|
2 1 2 1 -0.17021439047284D+02 0.11102230246252D-15
|
|
3 1 2 1 -0.41477930930745D+01 -0.13351599055685D-14
|
|
1 2 2 1 0.59471930157022D+01 0.25091830473562D-14
|
|
2 2 2 1 -0.32989552378576D+01 -0.20343896913115D-14
|
|
3 2 2 1 -0.11019671954533D+00 -0.59086645489861D-15
|
|
1 1 3 1 -0.10288448701702D+02 -0.22190823644731D-14
|
|
2 1 3 1 -0.41477930930745D+01 0.12518931787217D-14
|
|
3 1 3 1 -0.10897927291326D+02 0.18735013540550D-15
|
|
1 2 3 1 0.28499789684624D+01 0.42063387366780D-14
|
|
2 2 3 1 -0.11019686871433D+00 -0.18471339202796D-14
|
|
3 2 3 1 -0.20803429020118D+01 -0.28307627722254D-15
|
|
1 1 1 2 -0.67297781147151D+01 0.59403283419448D-14
|
|
2 1 1 2 0.59471930157022D+01 -0.25924497742031D-14
|
|
3 1 1 2 0.28499789684624D+01 -0.42195660031823D-14
|
|
1 2 1 2 -0.11285276207975D+02 0.88817841970013D-15
|
|
2 2 1 2 -0.33978369346527D+01 -0.70945326697246D-15
|
|
3 2 1 2 -0.10288449008966D+02 -0.29836968851591D-14
|
|
1 1 2 2 0.59471920363795D+01 -0.60396012959287D-14
|
|
2 1 2 2 -0.32989552378576D+01 0.11067463125329D-14
|
|
3 1 2 2 -0.11019686871433D+00 0.22495897667062D-14
|
|
1 2 2 2 -0.33978369346527D+01 0.43319452197364D-16
|
|
2 2 2 2 -0.17021440459914D+02 -0.55511151231258D-15
|
|
3 2 2 2 -0.41477928508794D+01 0.40138628338075D-15
|
|
1 1 3 2 0.28499789585893D+01 -0.77787906409551D-15
|
|
2 1 3 2 -0.11019671954533D+00 0.11251612854995D-14
|
|
3 1 3 2 -0.20803429020118D+01 -0.91623993588453D-16
|
|
1 2 3 2 -0.10288449008966D+02 -0.12492758379134D-15
|
|
2 2 3 2 -0.41477928508794D+01 -0.63730867611359D-15
|
|
3 2 3 2 -0.10897927004932D+02 0.11102230246252D-14
|
|
Band: 4
|
|
1 1 1 1 -0.15184246205026D+02 0.41633363423443D-16
|
|
2 1 1 1 -0.96997495224392D+01 0.23925200308239D-14
|
|
3 1 1 1 0.16001455340005D+00 -0.66741658449892D-14
|
|
1 2 1 1 -0.10412795622841D+01 -0.10160543003871D-14
|
|
2 2 1 1 0.10005281662929D+01 -0.41598681306173D-14
|
|
3 2 1 1 0.12005480406685D+01 0.55853907241291D-14
|
|
1 1 2 1 -0.96997495224392D+01 -0.21062906572877D-14
|
|
2 1 2 1 -0.11198294709929D+02 -0.11102230246252D-15
|
|
3 1 2 1 -0.68557463560305D+01 0.64972430809379D-15
|
|
1 2 2 1 0.10005275031339D+01 -0.24039102312600D-14
|
|
2 2 2 1 -0.27626160830220D+01 -0.11458497605900D-14
|
|
3 2 2 1 0.50154652418026D+01 0.40196266416521D-14
|
|
1 1 3 1 0.16001455340005D+00 0.64451823461603D-14
|
|
2 1 3 1 -0.68557463560305D+01 -0.11196003054098D-15
|
|
3 1 3 1 -0.11383501043336D+02 0.30531133177192D-15
|
|
1 2 3 1 0.12005494984524D+01 -0.16486151213157D-14
|
|
2 2 3 1 0.50154686234253D+01 0.57927180381514D-14
|
|
3 2 3 1 -0.97756139298657D+01 -0.12097200155128D-13
|
|
1 1 1 2 -0.10412795622841D+01 0.98135983086755D-15
|
|
2 1 1 2 0.10005275031339D+01 0.19372696162223D-14
|
|
3 1 1 2 0.12005494984524D+01 0.15306539249492D-14
|
|
1 2 1 2 -0.15184246865777D+02 -0.22204460492503D-15
|
|
2 2 1 2 -0.96997498519339D+01 0.12621805166090D-14
|
|
3 2 1 2 0.16001308311059D+00 0.12138808715254D-14
|
|
1 1 2 2 0.10005281662929D+01 0.30552829572891D-14
|
|
2 1 2 2 -0.27626160830220D+01 -0.17254008115238D-15
|
|
3 1 2 2 0.50154686234253D+01 -0.65143630041577D-14
|
|
1 2 2 2 -0.96997498519339D+01 -0.23724035412342D-14
|
|
2 2 2 2 -0.11198294226273D+02 -0.22204460492503D-15
|
|
3 2 2 2 -0.68557471451912D+01 -0.93746936962151D-15
|
|
1 1 3 2 0.12005480406685D+01 -0.48038977982015D-14
|
|
2 1 3 2 0.50154652418026D+01 -0.43318768673279D-14
|
|
3 1 3 2 -0.97756139298657D+01 0.14678468687381D-13
|
|
1 2 3 2 0.16001308311059D+00 -0.18800146863005D-14
|
|
2 2 3 2 -0.68557471451912D+01 0.10484916720840D-14
|
|
3 2 3 2 -0.11383506144332D+02 -0.44408920985006D-15
|
|
Band: 5
|
|
1 1 1 1 -0.18126149671438D+02 -0.31918911957973D-15
|
|
2 1 1 1 0.25395374088317D+01 -0.12438080511897D-14
|
|
3 1 1 1 -0.88520447626363D+00 0.15761326296784D-14
|
|
1 2 1 1 0.32613614186795D+01 0.59673367650646D-14
|
|
2 2 1 1 -0.10780425101048D+02 -0.16515960552868D-14
|
|
3 2 1 1 0.13114626327730D+01 -0.28677454783396D-14
|
|
1 1 2 1 0.25395374088317D+01 0.13270747780366D-14
|
|
2 1 2 1 -0.30741036351611D+01 0.29143354396410D-15
|
|
3 1 2 1 -0.10794847698725D+02 -0.24868727825710D-14
|
|
1 2 2 1 -0.10780426383048D+02 -0.10356983207144D-14
|
|
2 2 2 1 -0.84730153253673D+01 0.75008892238382D-14
|
|
3 2 2 1 0.84943585391262D+01 -0.73136124663060D-14
|
|
1 1 3 1 -0.88520447626364D+00 -0.16229701635297D-14
|
|
2 1 3 1 -0.10794847698725D+02 0.19040056946428D-14
|
|
3 1 3 1 -0.17487410008146D+02 0.16653345369377D-15
|
|
1 2 3 1 0.13114613712819D+01 -0.38541102610587D-14
|
|
2 2 3 1 0.84943556321268D+01 -0.45651459099024D-14
|
|
3 2 3 1 -0.46354933548348D+01 0.62578109964784D-14
|
|
1 1 1 2 0.32613614186795D+01 -0.57730477357552D-14
|
|
2 1 1 2 -0.10780426383048D+02 0.22014324965708D-14
|
|
3 1 1 2 0.13114613712819D+01 0.25634759949319D-14
|
|
1 2 1 2 -0.18126151531709D+02 0.74940054162198D-15
|
|
2 2 1 2 0.25395333004754D+01 -0.11074900085234D-14
|
|
3 2 1 2 -0.88520377430516D+00 0.13188815532832D-16
|
|
1 1 2 2 -0.10780425101048D+02 0.16724127369985D-14
|
|
2 1 2 2 -0.84730153253673D+01 -0.79172228580726D-14
|
|
3 1 2 2 0.84943556321268D+01 0.43682547953790D-14
|
|
1 2 2 2 0.25395333004754D+01 0.16626015208360D-14
|
|
2 2 2 2 -0.30741089690376D+01 0.99920072216264D-15
|
|
3 2 2 2 -0.10794845583825D+02 0.21463424695489D-14
|
|
1 1 3 2 0.13114626327730D+01 0.35442876339706D-14
|
|
2 1 3 2 0.84943585391262D+01 0.73830014053450D-14
|
|
3 1 3 2 -0.46354933548348D+01 -0.55084104548564D-14
|
|
1 2 3 2 -0.88520377430516D+00 -0.90136723523296D-15
|
|
2 2 3 2 -0.10794845583825D+02 -0.15357198060050D-14
|
|
3 2 3 2 -0.17487409582825D+02 -0.22204460492503D-15
|
|
Band: 6
|
|
1 1 1 1 -0.66846511425635D+01 -0.27755575615629D-16
|
|
2 1 1 1 -0.49485796127336D+01 -0.26655086158892D-15
|
|
3 1 1 1 -0.11077929325183D+02 0.28912191371855D-14
|
|
1 2 1 1 -0.10803580231807D+02 0.85917671278243D-15
|
|
2 2 1 1 0.64577953080656D+01 0.64766483427158D-14
|
|
3 2 1 1 0.38921224684629D+01 0.24573498885036D-14
|
|
1 1 2 1 -0.49485796127336D+01 0.17306574753133D-14
|
|
2 1 2 1 -0.16329372569092D+02 -0.81705475718508D-15
|
|
3 1 2 1 0.15353749706069D+01 -0.33129434740027D-14
|
|
1 2 2 1 0.64577970654142D+01 -0.11831347607261D-14
|
|
2 2 2 1 -0.44600861794350D+01 -0.62767269244811D-14
|
|
3 2 2 1 -0.59862142338010D+01 -0.43825848220072D-15
|
|
1 1 3 1 -0.11077929325183D+02 -0.31236720829664D-14
|
|
2 1 3 1 0.15353749706069D+01 0.34239657764652D-14
|
|
3 1 3 1 -0.21024251064659D+02 0.13183898417424D-15
|
|
1 2 3 1 0.38921233508399D+01 0.21172713244263D-14
|
|
2 2 3 1 -0.59862134908869D+01 0.10066188920301D-14
|
|
3 2 3 1 0.10754820697028D+02 -0.59478071250492D-14
|
|
1 1 1 2 -0.10803580231807D+02 -0.65447934261717D-15
|
|
2 1 1 2 0.64577970654142D+01 0.19880464535794D-14
|
|
3 1 1 2 0.38921233508399D+01 -0.19646156585404D-14
|
|
1 2 1 2 -0.66846511053289D+01 -0.26645352591004D-14
|
|
2 2 1 2 -0.49485784472786D+01 -0.19446228669882D-14
|
|
3 2 1 2 -0.11077929741856D+02 -0.62317286137679D-14
|
|
1 1 2 2 0.64577953080656D+01 -0.58590867852681D-14
|
|
2 1 2 2 -0.44600861794350D+01 0.49444592949309D-14
|
|
3 1 2 2 -0.59862134908869D+01 -0.42722125105381D-15
|
|
1 2 2 2 -0.49485784472786D+01 0.13895113546756D-14
|
|
2 2 2 2 -0.16329374993359D+02 -0.12767564783189D-14
|
|
3 2 2 2 0.15353737650118D+01 0.56271505417968D-14
|
|
1 1 3 2 0.38921224684629D+01 -0.28528668410264D-14
|
|
2 1 3 2 -0.59862142338010D+01 0.52152520904760D-15
|
|
3 1 3 2 0.10754820697028D+02 0.58454584399665D-14
|
|
1 2 3 2 -0.11077929741856D+02 0.65647955211555D-14
|
|
2 2 3 2 0.15353737650118D+01 -0.55941907957533D-14
|
|
3 2 3 2 -0.21024249359530D+02 -0.66613381477509D-15
|
|
Band: 7
|
|
1 1 1 1 -0.57915222833059D+01 0.13877787807814D-15
|
|
2 1 1 1 0.34406667940446D+00 0.54001998603573D-15
|
|
3 1 1 1 -0.35743770460522D+01 0.17288372138706D-14
|
|
1 2 1 1 0.15361275031116D+01 -0.62985980828869D-15
|
|
2 2 1 1 -0.35498360790459D+01 0.31933382676264D-15
|
|
3 2 1 1 0.23971167884805D+00 -0.20030039309650D-14
|
|
1 1 2 1 0.34406667940446D+00 -0.76900348486467D-15
|
|
2 1 2 1 -0.69010808914467D+01 0.44408920985006D-15
|
|
3 1 2 1 -0.24648177886764D+01 0.29548991667361D-15
|
|
1 2 2 1 -0.35498347646842D+01 0.14428798223185D-14
|
|
2 2 2 1 0.26076784726525D+01 -0.19560973893967D-14
|
|
3 2 2 1 -0.83183887861241D+00 -0.88820495604419D-15
|
|
1 1 3 1 -0.35743770460522D+01 -0.18745539858527D-14
|
|
2 1 3 1 -0.24648177886764D+01 -0.86447921679401D-15
|
|
3 1 3 1 -0.29826371799754D+01 -0.41980308118639D-15
|
|
1 2 3 1 0.23971181988751D+00 0.30634122450910D-15
|
|
2 2 3 1 -0.83183854001192D+00 -0.90063833090060D-15
|
|
3 2 3 1 -0.11818689691477D+01 -0.10403937204863D-15
|
|
1 1 1 2 0.15361275031116D+01 0.26176038648760D-16
|
|
2 1 1 2 -0.35498347646842D+01 -0.14775742918380D-14
|
|
3 1 1 2 0.23971181988751D+00 -0.19900520943303D-15
|
|
1 2 1 2 -0.57915206309146D+01 0.36776137690708D-15
|
|
2 2 1 2 0.34406827288653D+00 -0.37874755258090D-16
|
|
3 2 1 2 -0.35743769425911D+01 0.16782816527690D-15
|
|
1 1 2 2 -0.35498360790459D+01 -0.10201621110573D-14
|
|
2 1 2 2 0.26076784726525D+01 0.19352807076850D-14
|
|
3 1 2 2 -0.83183854001192D+00 0.84512717966934D-15
|
|
1 2 2 2 0.34406827288653D+00 0.21134710285577D-15
|
|
2 2 2 2 -0.69010823084374D+01 0.21163626406917D-15
|
|
3 2 2 2 -0.24648177502566D+01 -0.22014957935710D-17
|
|
1 1 3 2 0.23971167884805D+00 0.16074869784422D-14
|
|
2 1 3 2 -0.83183887861241D+00 0.75983541882190D-15
|
|
3 1 3 2 -0.11818689691477D+01 -0.32790677346960D-15
|
|
1 2 3 2 -0.35743769425911D+01 -0.49866968910477D-16
|
|
2 2 3 2 -0.24648177502566D+01 -0.15045417009239D-15
|
|
3 2 3 2 -0.29826368620467D+01 -0.83266726846887D-16
|
|
Band: 8
|
|
1 1 1 1 -0.25420136361969D+02 -0.19428902930940D-15
|
|
2 1 1 1 -0.19666989542163D+02 -0.99936388090133D-15
|
|
3 1 1 1 -0.19594076272280D+02 0.23550230816146D-14
|
|
1 2 1 1 -0.65155951676093D+01 0.98270652477033D-14
|
|
2 2 1 1 -0.73582576543165D+01 -0.40670640314930D-14
|
|
3 2 1 1 -0.72842403366988D+01 0.18527304369079D-14
|
|
1 1 2 1 -0.19666989542163D+02 0.11118546120120D-15
|
|
2 1 2 1 -0.25399512273361D+02 -0.99920072216264D-15
|
|
3 1 2 1 -0.19614702327149D+02 0.13312644171375D-15
|
|
1 2 2 1 -0.73582570205924D+01 0.39626314016274D-14
|
|
2 2 2 1 -0.64946446732200D+01 -0.45276055036044D-14
|
|
3 2 2 1 -0.73051909323331D+01 -0.35782427071772D-14
|
|
1 1 3 1 -0.19594076272280D+02 -0.63887050718237D-16
|
|
2 1 3 1 -0.19614702327149D+02 0.17611915940529D-14
|
|
3 1 3 1 -0.25472424675727D+02 0.13149203947904D-14
|
|
1 2 3 1 -0.72842401464716D+01 0.45783559051647D-14
|
|
2 2 3 1 -0.73051915110561D+01 -0.51071334894154D-14
|
|
3 2 3 1 -0.65686612249753D+01 -0.72838045551930D-16
|
|
1 1 1 2 -0.65155951676093D+01 -0.93552204622376D-14
|
|
2 1 1 2 -0.73582570205924D+01 0.89682638254399D-16
|
|
3 1 1 2 -0.72842401464716D+01 -0.23717876437222D-14
|
|
1 2 1 2 -0.25420135273161D+02 -0.88817841970013D-15
|
|
2 2 1 2 -0.19666987013303D+02 0.79550452246412D-14
|
|
3 2 1 2 -0.19594074657765D+02 0.53858175090787D-14
|
|
1 1 2 2 -0.73582576543165D+01 0.27842795995967D-15
|
|
2 1 2 2 -0.64946446732200D+01 0.12108142175368D-14
|
|
3 1 2 2 -0.73051915110561D+01 0.42814051148504D-14
|
|
1 2 2 2 -0.19666987013303D+02 -0.45688649995345D-14
|
|
2 2 2 2 -0.25399508019707D+02 0.22204460492503D-15
|
|
3 2 2 2 -0.19614699399214D+02 -0.60009034185117D-14
|
|
1 1 3 2 -0.72842403366988D+01 -0.41564432130051D-14
|
|
2 1 3 2 -0.73051909323331D+01 0.96921859930804D-15
|
|
3 1 3 2 -0.65686612249753D+01 0.21128728533007D-14
|
|
1 2 3 2 -0.19594074657765D+02 -0.22771930401283D-14
|
|
2 2 3 2 -0.19614699399214D+02 0.71111264431369D-14
|
|
3 2 3 2 -0.25472422521239D+02 -0.53290705182008D-14
|
|
|
|
2nd eigenvalue derivatives - # elements : 36
|
|
qpt 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
K-point: 0.00000000E+00 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.38699029290292D+01 -0.33610463042110D-17
|
|
2 1 1 1 -0.10303659329601D+01 -0.75921831322394D-06
|
|
3 1 1 1 -0.10224146508794D+01 -0.27110550485157D-05
|
|
1 2 1 1 0.66308681938160D+00 -0.54000747459367D-06
|
|
2 2 1 1 0.44745523363237D+00 -0.14133443519497D-05
|
|
3 2 1 1 0.43792817328477D+00 -0.60536695134805D-06
|
|
1 1 2 1 -0.10303659329601D+01 0.75921831321201D-06
|
|
2 1 2 1 -0.20497016640027D+01 0.27104997232182D-17
|
|
3 1 2 1 -0.10413952328473D+01 0.33320657501149D-06
|
|
1 2 2 1 0.44745439040269D+00 -0.31233902699861D-05
|
|
2 2 2 1 0.88237289919994D+00 0.15575663141402D-06
|
|
3 2 2 1 0.45998134548562D+00 0.57526294802640D-07
|
|
1 1 3 1 -0.10224146508794D+01 0.27110550485078D-05
|
|
2 1 3 1 -0.10413952328473D+01 -0.33320657501854D-06
|
|
3 1 3 1 -0.20258498117901D+01 -0.41199729927030D-17
|
|
1 2 3 1 0.43792914611707D+00 -0.23181536087420D-05
|
|
2 2 3 1 0.45998133446131D+00 0.35460088417470D-06
|
|
3 2 3 1 0.85379943071646D+00 0.13247862771333D-06
|
|
1 1 1 2 0.66308681938160D+00 0.54000747454434D-06
|
|
2 1 1 2 0.44745439040269D+00 0.31233902699822D-05
|
|
3 1 1 2 0.43792914611707D+00 0.23181536087536D-05
|
|
1 2 1 2 -0.38699111771232D+01 0.39898619306725D-16
|
|
2 2 1 2 -0.10303703614644D+01 0.87486662934414D-06
|
|
3 2 1 2 -0.10224168750965D+01 -0.46179182645449D-06
|
|
1 1 2 2 0.44745523363237D+00 0.14133443519911D-05
|
|
2 1 2 2 0.88237289919994D+00 -0.15575663138974D-06
|
|
3 1 2 2 0.45998133446131D+00 -0.35460088422382D-06
|
|
1 2 2 2 -0.10303703614644D+01 -0.87486662926087D-06
|
|
2 2 2 2 -0.20497011337482D+01 -0.10408340694840D-15
|
|
3 2 2 2 -0.10413949788049D+01 0.24347247958158D-06
|
|
1 1 3 2 0.43792817328477D+00 0.60536695139380D-06
|
|
2 1 3 2 0.45998134548562D+00 -0.57526294802857D-07
|
|
3 1 3 2 0.85379943071646D+00 -0.13247862767745D-06
|
|
1 2 3 2 -0.10224168750965D+01 0.46179182643465D-06
|
|
2 2 3 2 -0.10413949788049D+01 -0.24347247959720D-06
|
|
3 2 3 2 -0.20258491560497D+01 -0.24069297351671D-16
|
|
Band: 2
|
|
1 1 1 1 -0.25764830593685D+02 -0.97144761930006D-16
|
|
2 1 1 1 -0.24743983536361D+02 0.20946540210926D-05
|
|
3 1 1 1 -0.19645831910712D+02 0.28813663289393D-05
|
|
1 2 1 1 -0.82252709176674D+01 0.13453026202619D-05
|
|
2 2 1 1 -0.59534777129470D+01 0.47876956645382D-05
|
|
3 2 1 1 -0.63417769904363D+01 0.27721437058079D-05
|
|
1 1 2 1 -0.24743983536361D+02 -0.20946540217309D-05
|
|
2 1 2 1 -0.34209720525512D+02 0.44408917293713D-15
|
|
3 1 2 1 -0.25796589363622D+02 -0.58047543791363D-07
|
|
1 2 2 1 -0.59534779745485D+01 0.32178143427465D-05
|
|
2 2 2 1 -0.84593774113450D+01 0.47969523670980D-05
|
|
3 2 2 1 -0.41090587366937D+01 0.40991433353926D-05
|
|
1 1 3 1 -0.19645831910712D+02 -0.28813663294042D-05
|
|
2 1 3 1 -0.25796589363622D+02 0.58047544768013D-07
|
|
3 1 3 1 -0.25853209375419D+02 0.91593374140039D-15
|
|
1 2 3 1 -0.63417835652557D+01 0.47374949108374D-05
|
|
2 2 3 1 -0.41090631867246D+01 0.67820373042897D-05
|
|
3 2 3 1 -0.74155473551640D+01 0.55401465294871D-05
|
|
1 1 1 2 -0.82252709176674D+01 -0.13453026180484D-05
|
|
2 1 1 2 -0.59534779745485D+01 -0.32178143411367D-05
|
|
3 1 1 2 -0.63417835652557D+01 -0.47374949123362D-05
|
|
1 2 1 2 -0.25764813277129D+02 0.45519145713623D-14
|
|
2 2 1 2 -0.24743971647991D+02 -0.38076618868162D-05
|
|
3 2 1 2 -0.19645823009501D+02 -0.18084495202285D-05
|
|
1 1 2 2 -0.59534777129470D+01 -0.47876956609265D-05
|
|
2 1 2 2 -0.84593774113450D+01 -0.47969523686662D-05
|
|
3 1 2 2 -0.41090631867246D+01 -0.67820373062048D-05
|
|
1 2 2 2 -0.24743971647991D+02 0.38076618921452D-05
|
|
2 2 2 2 -0.34209713350306D+02 -0.27755574213138D-14
|
|
3 2 2 2 -0.25796583619756D+02 0.20363162714510D-05
|
|
1 1 3 2 -0.63417769904363D+01 -0.27721437047532D-05
|
|
2 1 3 2 -0.41090587366937D+01 -0.40991433338695D-05
|
|
3 1 3 2 -0.74155473551640D+01 -0.55401465329288D-05
|
|
1 2 3 2 -0.19645823009501D+02 0.18084495178971D-05
|
|
2 2 3 2 -0.25796583619756D+02 -0.20363162730816D-05
|
|
3 2 3 2 -0.25853206341454D+02 -0.77715611741209D-15
|
|
Band: 3
|
|
1 1 1 1 -0.23510594339415D+02 0.72164495401223D-15
|
|
2 1 1 1 0.16963066091837D+01 0.99229209010196D-06
|
|
3 1 1 1 -0.10509164259697D+02 0.65566584332340D-06
|
|
1 2 1 1 -0.25602913523787D+01 -0.39181324911805D-06
|
|
2 2 1 1 -0.59129525455658D+00 -0.20264994775474D-05
|
|
3 2 1 1 -0.76356981468203D+00 -0.70179300767325D-06
|
|
1 1 2 1 0.16963066091837D+01 -0.99229209035176D-06
|
|
2 1 2 1 -0.14310587939491D+02 -0.44408929794480D-15
|
|
3 1 2 1 -0.23119461633758D+01 -0.16595507090367D-05
|
|
1 2 2 1 -0.59129177373856D+00 0.15052753523151D-05
|
|
2 2 2 1 -0.45105722016982D+01 -0.39637421624336D-05
|
|
3 2 2 1 -0.17506668473025D+01 0.45514954214922D-07
|
|
1 1 3 1 -0.10509164259697D+02 -0.65566584377356D-06
|
|
2 1 3 1 -0.23119461633758D+01 0.16595507094496D-05
|
|
3 1 3 1 -0.13600614625198D+02 -0.17173760501739D-15
|
|
1 2 3 1 -0.76356850518421D+00 0.16826201403189D-06
|
|
2 2 3 1 -0.17506651512460D+01 -0.41476169519510D-05
|
|
3 2 3 1 -0.26843729798758D+01 -0.98954483583007D-06
|
|
1 1 1 2 -0.25602913523787D+01 0.39181324827498D-06
|
|
2 1 1 2 -0.59129177373856D+00 -0.15052753513887D-05
|
|
3 1 1 2 -0.76356850518421D+00 -0.16826201315195D-06
|
|
1 2 1 2 -0.23510593511159D+02 0.44408919661517D-15
|
|
2 2 1 2 0.16963031831845D+01 0.94843660041917D-06
|
|
3 2 1 2 -0.10509165031214D+02 0.59276554322252D-06
|
|
1 1 2 2 -0.59129525455658D+00 0.20264994756600D-05
|
|
2 1 2 2 -0.45105722016982D+01 0.39637421633218D-05
|
|
3 1 2 2 -0.17506651512460D+01 0.41476169511600D-05
|
|
1 2 2 2 0.16963031831845D+01 -0.94843659864282D-06
|
|
2 2 2 2 -0.14310596075980D+02 -0.61062270979486D-15
|
|
3 2 2 2 -0.23119470398764D+01 -0.43976585980856D-06
|
|
1 1 3 2 -0.76356981468203D+00 0.70179300924838D-06
|
|
2 1 3 2 -0.17506668473025D+01 -0.45514956091893D-07
|
|
3 1 3 2 -0.26843729798758D+01 0.98954483619697D-06
|
|
1 2 3 2 -0.10509165031214D+02 -0.59276554250261D-06
|
|
2 2 3 2 -0.23119470398764D+01 0.43976586012254D-06
|
|
3 2 3 2 -0.13600613027820D+02 -0.65138870547680D-15
|
|
Band: 4
|
|
1 1 1 1 -0.15960219798259D+02 0.19428902351914D-15
|
|
2 1 1 1 -0.74127942697541D+01 0.29490254257906D-06
|
|
3 1 1 1 -0.84976345816308D+00 0.39011946000379D-05
|
|
1 2 1 1 -0.28513738235584D+01 0.12736771374734D-06
|
|
2 2 1 1 -0.15961271395585D+01 -0.55676774122131D-06
|
|
3 2 1 1 -0.79299727808764D+00 -0.25669785075879D-05
|
|
1 1 2 1 -0.74127942697541D+01 -0.29490254241600D-06
|
|
2 1 2 1 -0.11016873749604D+02 0.75633938028573D-15
|
|
3 1 2 1 -0.16777105775206D+01 0.36595472837443D-05
|
|
1 2 2 1 -0.15961253798842D+01 0.12442978507989D-05
|
|
2 2 2 1 -0.43111959923056D+01 -0.85114678211558D-06
|
|
3 2 2 1 -0.26677501123024D+01 -0.35950290109209D-05
|
|
1 1 3 1 -0.84976345816308D+00 -0.39011946009296D-05
|
|
2 1 3 1 -0.16777105775206D+01 -0.36595472838744D-05
|
|
3 1 3 1 -0.20086495937943D+02 0.93675013800298D-16
|
|
1 2 3 1 -0.79298973185856D+00 0.13952488888877D-05
|
|
2 2 3 1 -0.26677444197966D+01 -0.46084466008252D-05
|
|
3 2 3 1 -0.73783277361056D+01 -0.58965741683366D-05
|
|
1 1 1 2 -0.28513738235584D+01 -0.12736771165180D-06
|
|
2 1 1 2 -0.15961253798842D+01 -0.12442978506011D-05
|
|
3 1 1 2 -0.79298973185856D+00 -0.13952488889571D-05
|
|
1 2 1 2 -0.15960218240587D+02 -0.55511151024463D-15
|
|
2 2 1 2 -0.74127949076420D+01 0.55826221069618D-06
|
|
3 2 1 2 -0.84977043354792D+00 0.19491835780664D-05
|
|
1 1 2 2 -0.15961271395585D+01 0.55676774122131D-06
|
|
2 1 2 2 -0.43111959923056D+01 0.85114678158822D-06
|
|
3 1 2 2 -0.26677444197966D+01 0.46084466006586D-05
|
|
1 2 2 2 -0.74127949076420D+01 -0.55826221058516D-06
|
|
2 2 2 2 -0.11016875090360D+02 -0.55511147912034D-15
|
|
3 2 2 2 -0.16777169732742D+01 -0.26313048275984D-05
|
|
1 1 3 2 -0.79299727808764D+00 0.25669785065956D-05
|
|
2 1 3 2 -0.26677501123024D+01 0.35950290106676D-05
|
|
3 1 3 2 -0.73783277361056D+01 0.58965741681319D-05
|
|
1 2 3 2 -0.84977043354792D+00 -0.19491835782191D-05
|
|
2 2 3 2 -0.16777169732742D+01 0.26313048271751D-05
|
|
3 2 3 2 -0.20086501100868D+02 -0.11102232546848D-15
|
|
Band: 5
|
|
1 1 1 1 -0.25224481214718D+02 0.42793453327013D-15
|
|
2 1 1 1 -0.13683074550462D+02 -0.65414130485952D-05
|
|
3 1 1 1 -0.19231744167932D+02 0.18214185090668D-07
|
|
1 2 1 1 0.91250204983639D+01 -0.23078349211757D-05
|
|
2 2 1 1 0.78903361526740D+01 -0.57029462224845D-05
|
|
3 2 1 1 0.18092516616996D+02 -0.83671358621066D-05
|
|
1 1 2 1 -0.13683074550462D+02 0.65414130486785D-05
|
|
2 1 2 1 -0.21083456840665D+02 0.23765739931785D-15
|
|
3 1 2 1 -0.14936835609339D+02 0.10639811051010D-04
|
|
1 2 2 1 0.78903308055186D+01 -0.46394534567836D-05
|
|
2 2 2 1 0.10285978092515D+02 -0.52005601222288D-05
|
|
3 2 2 1 0.11201072070816D+02 -0.14195158894142D-04
|
|
1 1 3 1 -0.19231744167932D+02 -0.18214185701291D-07
|
|
2 1 3 1 -0.14936835609339D+02 -0.10639811051606D-04
|
|
3 1 3 1 -0.61122391974468D+02 0.70950285181423D-15
|
|
1 2 3 1 0.18092538057890D+02 -0.40961579205852D-05
|
|
2 2 3 1 0.11201089845405D+02 -0.10949898871264D-04
|
|
3 2 3 1 0.34548211084251D+02 -0.18691230470307D-04
|
|
1 1 1 2 0.91250204983639D+01 0.23078349208947D-05
|
|
2 1 1 2 0.78903308055186D+01 0.46394534558156D-05
|
|
3 1 1 2 0.18092538057890D+02 0.40961579209425D-05
|
|
1 2 1 2 -0.25224502618411D+02 -0.44408914760472D-15
|
|
2 2 1 2 -0.13683087297234D+02 0.52092681301666D-05
|
|
3 2 1 2 -0.19231768241548D+02 0.65235697072257D-05
|
|
1 1 2 2 0.78903361526740D+01 0.57029462222590D-05
|
|
2 1 2 2 0.10285978092515D+02 0.52005601219651D-05
|
|
3 1 2 2 0.11201089845405D+02 0.10949898871486D-04
|
|
1 2 2 2 -0.13683087297234D+02 -0.52092681287233D-05
|
|
2 2 2 2 -0.21083464234426D+02 0.66613373950045D-15
|
|
3 2 2 2 -0.14936854166822D+02 -0.70902947492315D-05
|
|
1 1 3 2 0.18092516616996D+02 0.83671358624466D-05
|
|
2 1 3 2 0.11201072070816D+02 0.14195158894138D-04
|
|
3 1 3 2 0.34548211084251D+02 0.18691230469960D-04
|
|
1 2 3 2 -0.19231768241548D+02 -0.65235697075727D-05
|
|
2 2 3 2 -0.14936854166822D+02 0.70902947489332D-05
|
|
3 2 3 2 -0.61122399391541D+02 -0.53429480573374D-15
|
|
Band: 6
|
|
1 1 1 1 -0.30630392660818D+02 0.10581811476719D-15
|
|
2 1 1 1 -0.10618166259718D+02 -0.13945651540535D-05
|
|
3 1 1 1 -0.18431816994234D+02 -0.36256712684602D-05
|
|
1 2 1 1 0.68564290402799D+01 -0.24789818743126D-05
|
|
2 2 1 1 0.11997337093673D+02 -0.85347891881631D-05
|
|
3 2 1 1 0.10176096707537D+02 -0.27863420668612D-05
|
|
1 1 2 1 -0.10618166259718D+02 0.13945651541177D-05
|
|
2 1 2 1 -0.36483361402134D+02 -0.12143076863624D-15
|
|
3 1 2 1 -0.15134618643019D+02 -0.60032936871836D-05
|
|
1 2 2 1 0.11997340938636D+02 -0.47353255228600D-06
|
|
2 2 2 1 0.18623931772701D+02 -0.11649723808533D-04
|
|
3 2 2 1 0.12700424792840D+02 -0.48692319721333D-05
|
|
1 1 3 1 -0.18431816994234D+02 0.36256712686874D-05
|
|
2 1 3 1 -0.15134618643019D+02 0.60032936867559D-05
|
|
3 1 3 1 -0.26371723658304D+02 0.24286122851601D-15
|
|
1 2 3 1 0.10176103483682D+02 -0.55149966822274D-05
|
|
2 2 3 1 0.12700428536843D+02 -0.12793443645363D-04
|
|
3 2 3 1 0.14355072202009D+02 -0.66152665704393D-05
|
|
1 1 1 2 0.68564290402799D+01 0.24789818727236D-05
|
|
2 1 1 2 0.11997340938636D+02 0.47353255250110D-06
|
|
3 1 1 2 0.10176103483682D+02 0.55149966823072D-05
|
|
1 2 1 2 -0.30630410430995D+02 -0.44408911379371D-15
|
|
2 2 1 2 -0.10618184296717D+02 0.58441920173173D-05
|
|
3 2 1 2 -0.18431825678743D+02 0.27834867270238D-05
|
|
1 1 2 2 0.11997337093674D+02 0.85347891882463D-05
|
|
2 1 2 2 0.18623931772701D+02 0.11649723808672D-04
|
|
3 1 2 2 0.12700428536843D+02 0.12793443644872D-04
|
|
1 2 2 2 -0.10618184296717D+02 -0.58441920159850D-05
|
|
2 2 2 2 -0.36483380972949D+02 0.55511125239692D-15
|
|
3 2 2 2 -0.15134627204781D+02 -0.19449327449941D-05
|
|
1 1 3 2 0.10176096707537D+02 0.27863420678465D-05
|
|
2 1 3 2 0.12700424792840D+02 0.48692319718853D-05
|
|
3 1 3 2 0.14355072202009D+02 0.66152665711349D-05
|
|
1 2 3 2 -0.18431825678743D+02 -0.27834867275025D-05
|
|
2 2 3 2 -0.15134627204781D+02 0.19449327452578D-05
|
|
3 2 3 2 -0.26371724765528D+02 -0.23592234871133D-15
|
|
Band: 7
|
|
1 1 1 1 -0.37736351091983D+02 -0.65225587021655D-15
|
|
2 1 1 1 -0.40772432114981D+02 -0.10020361222973D-05
|
|
3 1 1 1 -0.28944886619403D+02 0.31863284497750D-06
|
|
1 2 1 1 0.44229355618429D+01 0.30198080223118D-06
|
|
2 2 1 1 0.11845082707409D+02 0.41163654239903D-05
|
|
3 2 1 1 0.49647826744902D+01 0.37554429372640D-05
|
|
1 1 2 1 -0.40772432114981D+02 0.10020361220336D-05
|
|
2 1 2 1 -0.69830575468357D+02 -0.41633366215178D-15
|
|
3 1 2 1 -0.33532376634039D+02 0.40323278185961D-05
|
|
1 2 2 1 0.11845079847108D+02 -0.25623055245121D-06
|
|
2 2 2 1 0.31947124778746D+02 0.53605605193045D-05
|
|
3 2 2 1 0.64074124771367D+01 0.33642099414724D-05
|
|
1 1 3 1 -0.28944886619403D+02 -0.31863284570609D-06
|
|
2 1 3 1 -0.33532376634039D+02 -0.40323278196682D-05
|
|
3 1 3 1 -0.40109915113064D+02 -0.97838370103545D-15
|
|
1 2 3 1 0.49647731165998D+01 0.29833823770025D-05
|
|
2 2 3 1 0.64074043327861D+01 0.12479434032053D-04
|
|
3 2 3 1 0.12197084041677D+02 0.66216962121191D-05
|
|
1 1 1 2 0.44229355618429D+01 -0.30198080178189D-06
|
|
2 1 1 2 0.11845079847108D+02 0.25623055097323D-06
|
|
3 1 1 2 0.49647731165998D+01 -0.29833823768975D-05
|
|
1 2 1 2 -0.37736341126600D+02 0.42188474964707D-14
|
|
2 2 1 2 -0.40772420919453D+02 -0.46294707918975D-05
|
|
3 2 1 2 -0.28944875531276D+02 -0.86818441471602D-06
|
|
1 1 2 2 0.11845082707409D+02 -0.41163654254683D-05
|
|
2 1 2 2 0.31947124778746D+02 -0.53605605189992D-05
|
|
3 1 2 2 0.64074043327861D+01 -0.12479434031298D-04
|
|
1 2 2 2 -0.40772420919453D+02 0.46294707952282D-05
|
|
2 2 2 2 -0.69830563048006D+02 0.12212451614060D-14
|
|
3 2 2 2 -0.33532369925647D+02 0.50699930374044D-05
|
|
1 1 3 2 0.49647826744902D+01 -0.37554429377853D-05
|
|
2 1 3 2 0.64074124771367D+01 -0.33642099422842D-05
|
|
3 1 3 2 0.12197084041677D+02 -0.66216962115154D-05
|
|
1 2 3 2 -0.28944875531276D+02 0.86818441396662D-06
|
|
2 2 3 2 -0.33532369925647D+02 -0.50699930356627D-05
|
|
3 2 3 2 -0.40109908277294D+02 0.78322765783043D-15
|
|
Band: 8
|
|
1 1 1 1 -0.63565381038319D+01 -0.10408338710361D-15
|
|
2 1 1 1 -0.13979493468968D+01 0.28301938345649D-05
|
|
3 1 1 1 -0.16986144338510D+01 0.32119106198391D-05
|
|
1 2 1 1 0.33333509395511D+01 0.97650025938075D-06
|
|
2 2 1 1 -0.10746703485955D+01 0.12495920121669D-05
|
|
3 2 1 1 -0.75215606535001D+00 0.12082192915021D-07
|
|
1 1 2 1 -0.13979493468968D+01 -0.28301938348147D-05
|
|
2 1 2 1 -0.30782172293046D+01 0.48572257068806D-15
|
|
3 1 2 1 -0.11156414850761D+01 0.66136246130620D-06
|
|
1 2 2 1 -0.10746652545317D+01 0.15538111999947D-05
|
|
2 2 2 1 -0.18375645073839D+01 -0.31165689969324D-07
|
|
3 2 2 1 -0.13864303497213D+01 -0.15529033918025D-06
|
|
1 1 3 1 -0.16986144338510D+01 -0.32119106207325D-05
|
|
2 1 3 1 -0.11156414850761D+01 -0.66136246128451D-06
|
|
3 1 3 1 -0.39802138286688D+01 -0.27451995673776D-15
|
|
1 2 3 1 -0.75215045022924D+00 0.33829410506365D-05
|
|
2 2 3 1 -0.13864306220098D+01 0.52537076795635D-06
|
|
3 2 3 1 -0.87002723673243D+00 0.11887334660613D-06
|
|
1 1 1 2 0.33333509395511D+01 -0.97650025888115D-06
|
|
2 1 1 2 -0.10746652545317D+01 -0.15538112001994D-05
|
|
3 1 1 2 -0.75215045022924D+00 -0.33829410498758D-05
|
|
1 2 1 2 -0.63565177848326D+01 0.18041127024611D-15
|
|
2 2 1 2 -0.13979469298356D+01 -0.22736714923033D-05
|
|
3 2 1 2 -0.16986183502798D+01 -0.67289387303095D-06
|
|
1 1 2 2 -0.10746703485955D+01 -0.12495920118616D-05
|
|
2 1 2 2 -0.18375645073839D+01 0.31165689837485D-07
|
|
3 1 2 2 -0.13864306220098D+01 -0.52537076779762D-06
|
|
1 2 2 2 -0.13979469298356D+01 0.22736714945793D-05
|
|
2 2 2 2 -0.30782162556074D+01 -0.11102230522167D-14
|
|
3 2 2 2 -0.11156411681947D+01 0.31885267052709D-06
|
|
1 1 3 2 -0.75215606535000D+00 -0.12082193494419D-07
|
|
2 1 3 2 -0.13864303497213D+01 0.15529033989843D-06
|
|
3 1 3 2 -0.87002723673243D+00 -0.11887334718293D-06
|
|
1 2 3 2 -0.16986183502798D+01 0.67289387233359D-06
|
|
2 2 3 2 -0.11156411681947D+01 -0.31885267030678D-06
|
|
3 2 3 2 -0.39802128796129D+01 0.26194326147654D-15
|
|
K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.51677482365196D+01 -0.76327821698493D-16
|
|
2 1 1 1 -0.20098760105107D+01 -0.43467545284705D-06
|
|
3 1 1 1 -0.19469150718969D+01 -0.11525182885130D-05
|
|
1 2 1 1 0.10823511821608D+01 -0.19043134552764D-06
|
|
2 2 1 1 0.96684161862161D+00 -0.48924963542266D-06
|
|
3 2 1 1 0.90552888147766D+00 -0.84144436862145D-07
|
|
1 1 2 1 -0.20098760105107D+01 0.43467545304220D-06
|
|
2 1 2 1 -0.39718979777615D+01 -0.69388952008056D-16
|
|
3 1 2 1 -0.21115919112824D+01 0.52594004367808D-06
|
|
1 2 2 1 0.96684161265824D+00 -0.12456735443264D-05
|
|
2 2 2 1 0.18839655592164D+01 0.14062661551048D-06
|
|
3 2 2 1 0.10683925340852D+01 0.98495410046557D-07
|
|
1 1 3 1 -0.19469150718969D+01 0.11525182883690D-05
|
|
2 1 3 1 -0.21115919112824D+01 -0.52594004374921D-06
|
|
3 1 3 1 -0.38127203067139D+01 -0.20816694693305D-16
|
|
1 2 3 1 0.90552954524216D+00 -0.79285468239574D-06
|
|
2 2 3 1 0.10683926095517D+01 0.52528824280974D-06
|
|
3 2 3 1 0.17217431098941D+01 0.97927992608830D-07
|
|
1 1 1 2 0.10823511821608D+01 0.19043134547039D-06
|
|
2 1 1 2 0.96684161265824D+00 0.12456735443342D-05
|
|
3 1 1 2 0.90552954524216D+00 0.79285468249635D-06
|
|
1 2 1 2 -0.51677518884920D+01 0.83266728540022D-16
|
|
2 2 1 2 -0.20098778509580D+01 0.32141370728660D-06
|
|
3 2 1 2 -0.19469158914637D+01 -0.37153110343478D-07
|
|
1 1 2 2 0.96684161862161D+00 0.48924963545215D-06
|
|
2 1 2 2 0.18839655592164D+01 -0.14062661548619D-06
|
|
3 1 2 2 0.10683926095517D+01 -0.52528824282362D-06
|
|
1 2 2 2 -0.20098778509580D+01 -0.32141370715476D-06
|
|
2 2 2 2 -0.39718969078496D+01 -0.41633359797217D-16
|
|
3 2 2 2 -0.21115913533603D+01 0.33192470766432D-06
|
|
1 1 3 2 0.90552888147766D+00 0.84144436827451D-07
|
|
2 1 3 2 0.10683925340852D+01 -0.98495409897371D-07
|
|
3 1 3 2 0.17217431098941D+01 -0.97927992525564D-07
|
|
1 2 3 2 -0.19469158914637D+01 0.37153110426744D-07
|
|
2 2 3 2 -0.21115913533603D+01 -0.33192470769901D-06
|
|
3 2 3 2 -0.38127189540557D+01 0.27755568147098D-16
|
|
Band: 2
|
|
1 1 1 1 -0.12715909443781D+02 -0.27755575941331D-15
|
|
2 1 1 1 -0.27856512168643D+01 -0.20678951237245D-05
|
|
3 1 1 1 -0.27821840058767D+01 -0.51280829683180D-06
|
|
1 2 1 1 0.10563038270005D+01 -0.31839588058589D-06
|
|
2 2 1 1 0.45787549134371D+00 0.25351927014574D-06
|
|
3 2 1 1 0.49974616769151D+00 0.95970001060654D-06
|
|
1 1 2 1 -0.27856512168643D+01 0.20678951234904D-05
|
|
2 1 2 1 -0.56386095779094D+01 0.15265566860676D-15
|
|
3 1 2 1 -0.28297642364290D+01 0.43220700695841D-06
|
|
1 2 2 1 0.45787301820651D+00 0.10254683466254D-05
|
|
2 2 2 1 0.83906860972775D+00 0.24578270776313D-06
|
|
3 2 2 1 0.40188258080457D+00 0.89613161963344D-07
|
|
1 1 3 1 -0.27821840058767D+01 0.51280829666353D-06
|
|
2 1 3 1 -0.28297642364290D+01 -0.43220700672943D-06
|
|
3 1 3 1 -0.56356285770143D+01 0.12923690579575D-15
|
|
1 2 3 1 0.49974399295447D+00 -0.67351233185297D-06
|
|
2 2 3 1 0.40188261121259D+00 0.33586272920377D-06
|
|
3 2 3 1 0.87088799869830D+00 0.15845152251937D-06
|
|
1 1 1 2 0.10563038270005D+01 0.31839588100223D-06
|
|
2 1 1 2 0.45787301820651D+00 -0.10254683466289D-05
|
|
3 1 1 2 0.49974399295446D+00 0.67351233225890D-06
|
|
1 2 1 2 -0.12715909599469D+02 0.44408922556649D-15
|
|
2 2 1 2 -0.27856497654780D+01 0.59977667264719D-06
|
|
3 2 1 2 -0.27821819473748D+01 0.87230367503555D-06
|
|
1 1 2 2 0.45787549134371D+00 -0.25351926984216D-06
|
|
2 1 2 2 0.83906860972775D+00 -0.24578270783599D-06
|
|
3 1 2 2 0.40188261121259D+00 -0.33586272959756D-06
|
|
1 2 2 2 -0.27856497654780D+01 -0.59977667243903D-06
|
|
2 2 2 2 -0.56386089860735D+01 0.45102812638140D-16
|
|
3 2 2 2 -0.28297638250254D+01 0.25920066931212D-06
|
|
1 1 3 2 0.49974616769151D+00 -0.95970000987102D-06
|
|
2 1 3 2 0.40188258080457D+00 -0.89613162228757D-07
|
|
3 1 3 2 0.87088799869830D+00 -0.15845152210303D-06
|
|
1 2 3 2 -0.27821819473748D+01 -0.87230367459146D-06
|
|
2 2 3 2 -0.28297638250254D+01 -0.25920066936069D-06
|
|
3 2 3 2 -0.56356278240612D+01 -0.33306691066254D-15
|
|
Band: 3
|
|
1 1 1 1 -0.12595037855127D+02 -0.23592226802406D-15
|
|
2 1 1 1 -0.15357154419577D+02 0.27572891732196D-05
|
|
3 1 1 1 -0.11183583951518D+02 0.32436302882889D-05
|
|
1 2 1 1 -0.10558664549937D+02 0.15922782244748D-05
|
|
2 2 1 1 -0.70684475428418D+01 0.52375516913773D-05
|
|
3 2 1 1 -0.70317757068748D+01 0.17956515654475D-05
|
|
1 1 2 1 -0.15357154419577D+02 -0.27572891737227D-05
|
|
2 1 2 1 -0.34731994999415D+02 -0.67307272025953D-15
|
|
3 1 2 1 -0.23500307312140D+02 0.16584427554243D-05
|
|
1 2 2 1 -0.70684465934799D+01 0.16931272493609D-05
|
|
2 2 2 1 -0.56393786498322D+01 0.60926843743575D-05
|
|
3 2 2 1 -0.45893418480537D+01 0.37565397892911D-05
|
|
1 1 3 1 -0.11183583951518D+02 -0.32436302884762D-05
|
|
2 1 3 1 -0.23500307312140D+02 -0.16584427560488D-05
|
|
3 1 3 1 -0.21267362431871D+02 -0.23592236994337D-15
|
|
1 2 3 1 -0.70317796233125D+01 0.49592497397792D-05
|
|
2 2 3 1 -0.45893454477179D+01 0.76157863865074D-05
|
|
3 2 3 1 -0.73428840405169D+01 0.48892859461789D-05
|
|
1 1 1 2 -0.10558664549937D+02 -0.15922782239752D-05
|
|
2 1 1 2 -0.70684465934799D+01 -0.16931272488335D-05
|
|
3 1 1 2 -0.70317796233125D+01 -0.49592497393143D-05
|
|
1 2 1 2 -0.12595022265961D+02 0.34347518494470D-15
|
|
2 2 1 2 -0.15357143259374D+02 -0.45649893764930D-05
|
|
3 2 1 2 -0.11183577473315D+02 -0.23025307020092D-05
|
|
1 1 2 2 -0.70684475428418D+01 -0.52375516916410D-05
|
|
2 1 2 2 -0.56393786498322D+01 -0.60926843727616D-05
|
|
3 1 2 2 -0.45893454477179D+01 -0.76157863867016D-05
|
|
1 2 2 2 -0.15357143259374D+02 0.45649893766595D-05
|
|
2 2 2 2 -0.34731984259450D+02 -0.31918913646625D-15
|
|
3 2 2 2 -0.23500301269911D+02 0.19089451691848D-05
|
|
1 1 3 2 -0.70317757068748D+01 -0.17956515667798D-05
|
|
2 1 3 2 -0.45893418480537D+01 -0.37565397907899D-05
|
|
3 1 3 2 -0.73428840405169D+01 -0.48892859469283D-05
|
|
1 2 3 2 -0.11183577473315D+02 0.23025307024516D-05
|
|
2 2 3 2 -0.23500301269911D+02 -0.19089451696011D-05
|
|
3 2 3 2 -0.21267359970706D+02 -0.11102230193260D-15
|
|
Band: 4
|
|
1 1 1 1 -0.12204837278343D+02 0.12186433018443D-15
|
|
2 1 1 1 -0.34221137555700D+01 0.27666773123131D-05
|
|
3 1 1 1 -0.94849849901202D+01 0.63879441150972D-05
|
|
1 2 1 1 -0.27746948906449D+01 0.45304173426251D-06
|
|
2 2 1 1 -0.13437632675050D+01 -0.41514499574665D-06
|
|
3 2 1 1 0.62675999365593D+00 -0.63655261271351D-05
|
|
1 1 2 1 -0.34221137555701D+01 -0.27666773123548D-05
|
|
2 1 2 1 -0.12066260068876D+02 0.41633466045538D-16
|
|
3 1 2 1 0.35760792095886D+01 0.81562262327815D-05
|
|
1 2 2 1 -0.13437587724851D+01 -0.11158463413332D-05
|
|
2 2 2 1 -0.20717993851601D+01 -0.10837190378348D-05
|
|
3 2 2 1 -0.27260041355392D+01 -0.71597878677070D-05
|
|
1 1 3 1 -0.94849849901202D+01 -0.63879441151882D-05
|
|
2 1 3 1 0.35760792095886D+01 -0.81562262323721D-05
|
|
3 1 3 1 -0.12320413906130D+02 -0.33306737910345D-15
|
|
1 2 3 1 0.62677548787139D+00 0.27410117319695D-05
|
|
2 2 3 1 -0.27259940378671D+01 -0.51630637802088D-05
|
|
3 2 3 1 -0.13756855692795D+02 -0.97051428948565D-05
|
|
1 1 1 2 -0.27746948906449D+01 -0.45304173406822D-06
|
|
2 1 1 2 -0.13437587724851D+01 0.11158463411181D-05
|
|
3 1 1 2 0.62677548787139D+00 -0.27410117309460D-05
|
|
1 2 1 2 -0.12204836651477D+02 0.24980015779319D-15
|
|
2 2 1 2 -0.34221163114848D+01 -0.65826534807776D-06
|
|
3 2 1 2 -0.94849992079096D+01 0.10351752989319D-05
|
|
1 1 2 2 -0.13437632675050D+01 0.41514499579522D-06
|
|
2 1 2 2 -0.20717993851601D+01 0.10837190378279D-05
|
|
3 1 2 2 -0.27259940378671D+01 0.51630637800700D-05
|
|
1 2 2 2 -0.34221163114848D+01 0.65826534828592D-06
|
|
2 2 2 2 -0.12066261104766D+02 -0.27755567613545D-15
|
|
3 2 2 2 0.35760688394548D+01 -0.42670474038542D-05
|
|
1 1 3 2 0.62675999365593D+00 0.63655261265468D-05
|
|
2 1 3 2 -0.27260041355392D+01 0.71597878664926D-05
|
|
3 1 3 2 -0.13756855692795D+02 0.97051428961610D-05
|
|
1 2 3 2 -0.94849992079096D+01 -0.10351752987593D-05
|
|
2 2 3 2 0.35760688394548D+01 0.42670474042289D-05
|
|
3 2 3 2 -0.12320421967776D+02 -0.38857823383892D-15
|
|
Band: 5
|
|
1 1 1 1 0.73026628206383D+01 -0.28622846038048D-15
|
|
2 1 1 1 0.24567092279314D+02 0.14220884808001D-05
|
|
3 1 1 1 0.15998563837626D+02 0.21316942937064D-05
|
|
1 2 1 1 -0.16262026170610D+02 0.38826289625116D-05
|
|
2 2 1 1 -0.27325271465677D+02 0.14398836321581D-04
|
|
3 2 1 1 -0.22589808637515D+02 0.87294216330359D-05
|
|
1 1 2 1 0.24567092279314D+02 -0.14220884808001D-05
|
|
2 1 2 1 0.53173229383218D+02 -0.66613290983950D-15
|
|
3 1 2 1 0.17808806475432D+02 -0.63581844442571D-05
|
|
1 2 2 1 -0.27325271973169D+02 0.47127020299879D-05
|
|
2 2 2 1 -0.65193669553568D+02 0.12051465760367D-04
|
|
3 2 2 1 -0.16814802359055D+02 0.11516354295630D-04
|
|
1 1 3 1 0.15998563837626D+02 -0.21316942931860D-05
|
|
2 1 3 1 0.17808806475432D+02 0.63581844444045D-05
|
|
3 1 3 1 0.20247420987803D+02 0.50653627965534D-15
|
|
1 2 3 1 -0.22589834806508D+02 0.66292345979376D-05
|
|
2 2 3 1 -0.16814819998122D+02 0.21228573818788D-04
|
|
3 2 3 1 -0.46537635737044D+02 0.26098768686663D-04
|
|
1 1 1 2 -0.16262026170610D+02 -0.38826289622653D-05
|
|
2 1 1 2 -0.27325271973169D+02 -0.47127020296687D-05
|
|
3 1 1 2 -0.22589834806508D+02 -0.66292345974380D-05
|
|
1 2 1 2 0.73026953801538D+01 0.26367755222493D-15
|
|
2 2 1 2 0.24567115911542D+02 -0.86645006514593D-05
|
|
3 2 1 2 0.15998597771932D+02 -0.60113202963949D-05
|
|
1 1 2 2 -0.27325271465677D+02 -0.14398836321539D-04
|
|
2 1 2 2 -0.65193669553568D+02 -0.12051465761061D-04
|
|
3 1 2 2 -0.16814819998122D+02 -0.21228573817855D-04
|
|
1 2 2 2 0.24567115911542D+02 0.86645006512373D-05
|
|
2 2 2 2 0.53173242059213D+02 -0.49960005406807D-15
|
|
3 2 2 2 0.17808837217358D+02 0.15874025264723D-04
|
|
1 1 3 2 -0.22589808637515D+02 -0.87294216328139D-05
|
|
2 1 3 2 -0.16814802359055D+02 -0.11516354295172D-04
|
|
3 1 3 2 -0.46537635737044D+02 -0.26098768687135D-04
|
|
1 2 3 2 0.15998597771932D+02 0.60113202963672D-05
|
|
2 2 3 2 0.17808837217358D+02 -0.15874025263737D-04
|
|
3 2 3 2 0.20247429117577D+02 -0.77715633178758D-15
|
|
Band: 6
|
|
1 1 1 1 -0.39388216390555D+00 0.79103526244881D-15
|
|
2 1 1 1 0.10303558949021D+02 -0.21082365766217D-05
|
|
3 1 1 1 0.21263869505242D+02 0.11302519253102D-04
|
|
1 2 1 1 -0.21496387529100D+02 -0.55851031581397D-05
|
|
2 2 1 1 -0.33521793540603D+02 -0.21909771609783D-04
|
|
3 2 1 1 -0.40625164012693D+02 -0.32678988380364D-04
|
|
1 1 2 1 0.10303558949021D+02 0.21082365793314D-05
|
|
2 1 2 1 0.19587946616127D+02 0.24910650818178D-14
|
|
3 1 2 1 0.23261255520474D+02 0.18542797321488D-04
|
|
1 2 2 1 -0.33521782437477D+02 -0.10411401567740D-04
|
|
2 2 2 1 -0.59722431712360D+02 -0.30637305210187D-04
|
|
3 2 2 1 -0.50248578575985D+02 -0.45957152022897D-04
|
|
1 1 3 1 0.21263869505242D+02 -0.11302519252793D-04
|
|
2 1 3 1 0.23261255520474D+02 -0.18542797319274D-04
|
|
3 1 3 1 0.60421271605104D+02 -0.22204690892031D-15
|
|
1 2 3 1 -0.40625110505047D+02 -0.25260062511744D-05
|
|
2 2 3 1 -0.50248537885238D+02 -0.36462329949760D-04
|
|
3 2 3 1 -0.86365149760124D+02 -0.43583672882790D-04
|
|
1 1 1 2 -0.21496387529100D+02 0.55851031598189D-05
|
|
2 1 1 2 -0.33521782437477D+02 0.10411401569971D-04
|
|
3 1 1 2 -0.40625110505047D+02 0.25260062528536D-05
|
|
1 2 1 2 -0.39393872822038D+00 -0.26367849981202D-15
|
|
2 2 1 2 0.10303499064856D+02 0.15590920736063D-04
|
|
3 2 1 2 0.21263796559193D+02 0.17049853690906D-04
|
|
1 1 2 2 -0.33521793540603D+02 0.21909771608701D-04
|
|
2 1 2 2 -0.59722431712360D+02 0.30637305212713D-04
|
|
3 1 2 2 -0.50248537885238D+02 0.36462329948359D-04
|
|
1 2 2 2 0.10303499064856D+02 -0.15590920737541D-04
|
|
2 2 2 2 0.19587883297658D+02 -0.26090242307378D-14
|
|
3 2 2 2 0.23261192046752D+02 -0.97982420346543D-05
|
|
1 1 3 2 -0.40625164012693D+02 0.32678988380614D-04
|
|
2 1 3 2 -0.50248578575985D+02 0.45957152024743D-04
|
|
3 1 3 2 -0.86365149760124D+02 0.43583672884372D-04
|
|
1 2 3 2 0.21263796559193D+02 -0.17049853690497D-04
|
|
2 2 3 2 0.23261192046752D+02 0.97982420329196D-05
|
|
3 2 3 2 0.60421226028496D+02 0.19428886697521D-15
|
|
Band: 7
|
|
1 1 1 1 -0.12447492298666D+01 -0.90205582080100D-16
|
|
2 1 1 1 0.47179543234866D+00 -0.69610219807552D-06
|
|
3 1 1 1 0.56137210378477D+01 -0.14529069984942D-05
|
|
1 2 1 1 -0.31859348358633D+01 0.10266960162380D-05
|
|
2 2 1 1 -0.11682142418788D+01 0.26026705862176D-05
|
|
3 2 1 1 -0.61680945557514D+01 0.80791093374110D-06
|
|
1 1 2 1 0.47179543234866D+00 0.69610219794368D-06
|
|
2 1 2 1 0.31734193105581D+01 0.15265566796894D-15
|
|
3 1 2 1 0.38303985140281D+01 -0.21545383706600D-05
|
|
1 2 2 1 -0.11682084431140D+01 -0.37602035905506D-05
|
|
2 2 2 1 -0.45137964594283D+01 -0.29292885562772D-05
|
|
3 2 2 1 -0.47661266267346D+01 0.15940138493371D-06
|
|
1 1 3 1 0.56137210378477D+01 0.14529069989522D-05
|
|
2 1 3 1 0.38303985140281D+01 0.21545383702853D-05
|
|
3 1 3 1 0.79331947952031D+01 -0.29837225381599D-15
|
|
1 2 3 1 -0.61680948575618D+01 0.66976203930405D-06
|
|
2 2 3 1 -0.47661292079216D+01 0.13640284713963D-05
|
|
3 2 3 1 -0.89363859195126D+01 0.25184971970856D-05
|
|
1 1 1 2 -0.31859348358633D+01 -0.10266960165086D-05
|
|
2 1 1 2 -0.11682084431140D+01 0.37602035902886D-05
|
|
3 1 1 2 -0.61680948575618D+01 -0.66976203910282D-06
|
|
1 2 1 2 -0.12447500556372D+01 0.78409494620784D-15
|
|
2 2 1 2 0.47179088500240D+00 -0.34434612601609D-05
|
|
3 2 1 2 0.56137238047622D+01 -0.21882854164283D-06
|
|
1 1 2 2 -0.11682142418788D+01 -0.26026705865403D-05
|
|
2 1 2 2 -0.45137964594283D+01 0.29292885560864D-05
|
|
3 1 2 2 -0.47661292079216D+01 -0.13640284715385D-05
|
|
1 2 2 2 0.47179088500240D+00 0.34434612597723D-05
|
|
2 2 2 2 0.31734155150320D+01 0.57245995351532D-16
|
|
3 2 2 2 0.38304024493784D+01 0.37899738453013D-05
|
|
1 1 3 2 -0.61680945557514D+01 -0.80791093419213D-06
|
|
2 1 3 2 -0.47661266267346D+01 -0.15940138492678D-06
|
|
3 1 3 2 -0.89363859195126D+01 -0.25184971973076D-05
|
|
1 2 3 2 0.56137238047622D+01 0.21882854049097D-06
|
|
2 2 3 2 0.38304024493784D+01 -0.37899738453152D-05
|
|
3 2 3 2 0.79331993881468D+01 0.24980025470808D-15
|
|
Band: 8
|
|
1 1 1 1 -0.20745837477223D+02 -0.22204462167544D-14
|
|
2 1 1 1 -0.47092376651727D+01 0.94350089880389D-05
|
|
3 1 1 1 -0.51086845998037D+01 -0.29156047005523D-05
|
|
1 2 1 1 0.21619094168678D+02 0.12726251595889D-05
|
|
2 2 1 1 0.11615357599657D+01 -0.25334007987270D-05
|
|
3 2 1 1 0.76234165910752D+00 -0.61066402012621D-05
|
|
1 1 2 1 -0.47092376651727D+01 -0.94350089902489D-05
|
|
2 1 2 1 -0.89477539262403D+01 -0.16306395225554D-15
|
|
3 1 2 1 -0.42637165291594D+01 -0.23882100948319D-06
|
|
1 2 2 1 0.11615486955713D+01 -0.10376165675277D-04
|
|
2 2 2 1 0.27915759684333D+01 -0.23165392752393D-06
|
|
3 2 2 1 0.16064694707631D+01 -0.57571461643059D-06
|
|
1 1 3 1 -0.51086845998037D+01 0.29156047006945D-05
|
|
2 1 3 1 -0.42637165291594D+01 0.23882100908421D-06
|
|
3 1 3 1 -0.94243452477109D+01 -0.17347235518484D-15
|
|
1 2 3 1 0.76235490946392D+00 0.15959017447708D-05
|
|
2 2 3 1 0.16064694929343D+01 0.86328562169130D-06
|
|
3 2 3 1 0.23143156133544D+01 -0.11047707464165D-06
|
|
1 1 1 2 0.21619094168678D+02 -0.12726251503740D-05
|
|
2 1 1 2 0.11615486955713D+01 0.10376165676040D-04
|
|
3 1 1 2 0.76235490946392D+00 -0.15959017477857D-05
|
|
1 2 1 2 -0.20745851404862D+02 -0.33306690610542D-14
|
|
2 2 1 2 -0.47092515907538D+01 -0.23997291217094D-05
|
|
3 2 1 2 -0.51086972718874D+01 -0.60593015644076D-05
|
|
1 1 2 2 0.11615357599657D+01 0.25334007998996D-05
|
|
2 1 2 2 0.27915759684333D+01 0.23165392707290D-06
|
|
3 1 2 2 0.16064694929343D+01 -0.86328562217702D-06
|
|
1 2 2 2 -0.47092515907538D+01 0.23997291216539D-05
|
|
2 2 2 2 -0.89477538795905D+01 0.34000581565057D-15
|
|
3 2 2 2 -0.42637154843843D+01 -0.77219819803271D-07
|
|
1 1 3 2 0.76234165910752D+00 0.61066402020184D-05
|
|
2 1 3 2 0.16064694707631D+01 0.57571461639243D-06
|
|
3 1 3 2 0.23143156133544D+01 0.11047707467634D-06
|
|
1 2 3 2 -0.51086972718874D+01 0.60593015662534D-05
|
|
2 2 3 2 -0.42637154843843D+01 0.77219820032254D-07
|
|
3 2 3 2 -0.94243440334649D+01 0.33306684805117D-15
|
|
K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.25236683320488D+02 -0.83266160392957D-16
|
|
2 1 1 1 -0.12825937845971D+02 -0.19877402913315D-05
|
|
3 1 1 1 -0.21179379856832D+01 -0.20414364715906D-04
|
|
1 2 1 1 0.14285148443701D+02 -0.68623094671428D-05
|
|
2 2 1 1 0.10817441332741D+02 -0.23912256001241D-04
|
|
3 2 1 1 0.12687182959757D+01 -0.74593667901887D-05
|
|
1 1 2 1 -0.12825937845971D+02 0.19877402915041D-05
|
|
2 1 2 1 -0.10319449037016D+02 0.31224803907557D-16
|
|
3 1 2 1 -0.20866799029887D+01 -0.10528556305169D-04
|
|
1 2 2 1 0.88217659096179D+01 -0.10223406134052D-04
|
|
2 2 2 1 0.60705855390915D+01 -0.15253149274632D-04
|
|
3 2 2 1 0.12366623263287D+01 -0.36247040481109D-05
|
|
1 1 3 1 -0.21179379856832D+01 0.20414364715895D-04
|
|
2 1 3 1 -0.20866799029887D+01 0.10528556305041D-04
|
|
3 1 3 1 -0.41549750496972D+01 0.17347299641242D-17
|
|
1 2 3 1 0.11871245087817D+01 -0.14792216937046D-04
|
|
2 2 3 1 0.12191704337771D+01 -0.94866359947331D-05
|
|
3 2 3 1 0.24558168480580D+01 0.14988783091202D-06
|
|
1 1 1 2 0.14285148443701D+02 0.68623094671012D-05
|
|
2 1 1 2 0.88217659096179D+01 0.10223406134170D-04
|
|
3 1 1 2 0.11871245087817D+01 0.14792216937143D-04
|
|
1 2 1 2 -0.16870718684036D+02 0.48572418149356D-16
|
|
2 2 1 2 -0.98656411772247D+01 0.13703873520658D-04
|
|
3 2 1 2 -0.20370572089182D+01 0.34954522512888D-05
|
|
1 1 2 2 0.10817441332741D+02 0.23912256001061D-04
|
|
2 1 2 2 0.60705855390915D+01 0.15253149274782D-04
|
|
3 1 2 2 0.12191704337771D+01 0.94866359946776D-05
|
|
1 2 2 2 -0.98656411772247D+01 -0.13703873520644D-04
|
|
2 2 2 2 -0.97419675999354D+01 -0.11102258187589D-15
|
|
3 2 2 2 -0.20683093581013D+01 0.32700108543273D-05
|
|
1 1 3 2 0.12687182959757D+01 0.74593667902737D-05
|
|
2 1 3 2 0.12366623263287D+01 0.36247040480137D-05
|
|
3 1 3 2 0.24558168480580D+01 -0.14988783097447D-06
|
|
1 2 3 2 -0.20370572089182D+01 -0.34954522512437D-05
|
|
2 2 3 2 -0.20683093581013D+01 -0.32700108546049D-05
|
|
3 2 3 2 -0.41549743470018D+01 0.13877787529145D-16
|
|
Band: 2
|
|
1 1 1 1 -0.63134577941176D+01 0.31224965240089D-16
|
|
2 1 1 1 -0.10258716542185D+01 -0.38712006716895D-05
|
|
3 1 1 1 -0.27153070269938D+01 -0.27916025846219D-05
|
|
1 2 1 1 0.15810601425475D+00 0.33023352021272D-07
|
|
2 2 1 1 -0.16197599912676D+01 0.12882052036364D-05
|
|
3 2 1 1 -0.88410666421361D-01 0.31240101628182D-07
|
|
1 1 2 1 -0.10258716542185D+01 0.38712006715195D-05
|
|
2 1 2 1 -0.17162542399860D+02 0.13877886707596D-16
|
|
3 1 2 1 -0.27009336647701D+01 0.56293817558790D-05
|
|
1 2 2 1 -0.11042014714662D+01 -0.32565999109037D-05
|
|
2 2 2 1 0.43766934777708D+01 0.47349376894763D-05
|
|
3 2 2 1 -0.75429755923656D-01 0.32296868656102D-06
|
|
1 1 3 1 -0.27153070269938D+01 0.27916025846245D-05
|
|
2 1 3 1 -0.27009336647701D+01 -0.56293817562607D-05
|
|
3 1 3 1 -0.54181706564585D+01 -0.27321893897227D-16
|
|
1 2 3 1 -0.75526084643705D-01 -0.17872255673067D-05
|
|
2 2 3 1 -0.88514669714401D-01 0.48830345431007D-05
|
|
3 2 3 1 -0.16393511215668D+00 0.27373505752720D-06
|
|
1 1 1 2 0.15810601425475D+00 -0.33023352151376D-07
|
|
2 1 1 2 -0.11042014714662D+01 0.32565999101751D-05
|
|
3 1 1 2 -0.75526084643704D-01 0.17872255674107D-05
|
|
1 2 1 2 -0.58236790188160D+01 0.38163899255793D-16
|
|
2 2 1 2 -0.16812218587579D+01 -0.13278674895597D-05
|
|
3 2 1 2 -0.27028623999924D+01 -0.30761216728267D-06
|
|
1 1 2 2 -0.16197599912676D+01 -0.12882052035566D-05
|
|
2 1 2 2 0.43766934777708D+01 -0.47349376874909D-05
|
|
3 1 2 2 -0.88514669714401D-01 -0.48830345437946D-05
|
|
1 2 2 2 -0.16812218587579D+01 0.13278674898928D-05
|
|
2 2 2 2 -0.16816290005543D+02 -0.22898343120369D-15
|
|
3 2 2 2 -0.27172400808250D+01 0.78394432207560D-06
|
|
1 1 3 2 -0.88410666421361D-01 -0.31240101886656D-07
|
|
2 1 3 2 -0.75429755923656D-01 -0.32296868696348D-06
|
|
3 1 3 2 -0.16393511215668D+00 -0.27373505765904D-06
|
|
1 2 3 2 -0.27028623999924D+01 0.30761216730305D-06
|
|
2 2 3 2 -0.27172400808250D+01 -0.78394432153783D-06
|
|
3 2 3 2 -0.54181694304550D+01 0.79797281269192D-16
|
|
Band: 3
|
|
1 1 1 1 -0.32314130250309D+02 0.10269563627119D-14
|
|
2 1 1 1 -0.20643676292638D+02 -0.24815298072239D-05
|
|
3 1 1 1 -0.28549754945453D+02 0.44801228677400D-05
|
|
1 2 1 1 -0.29705718659102D+01 -0.16464910349416D-06
|
|
2 2 1 1 -0.14965961628963D+01 0.39655198872173D-05
|
|
3 2 1 1 -0.27896324069055D+01 0.35153184922116D-05
|
|
1 1 2 1 -0.20643676292638D+02 0.24815298075691D-05
|
|
2 1 2 1 -0.22057905303515D+02 0.41980299046794D-15
|
|
3 1 2 1 -0.20225658978226D+02 0.24443416635667D-06
|
|
1 2 2 1 -0.34562546471831D+00 0.11512428341174D-05
|
|
2 2 2 1 0.14033813417548D+01 0.63971122010312D-06
|
|
3 2 2 1 -0.10093161315439D+00 -0.15457860745508D-05
|
|
1 1 3 1 -0.28549754945453D+02 -0.44801228656392D-05
|
|
2 1 3 1 -0.20225658978226D+02 -0.24443416641218D-06
|
|
3 1 3 1 -0.31051591498624D+02 0.39378228396216D-15
|
|
1 2 3 1 -0.64935455247204D+00 0.33908581266074D-05
|
|
2 2 3 1 0.58535403107129D+00 0.38299677369548D-05
|
|
3 2 3 1 -0.98386564988263D+00 0.28051691479420D-05
|
|
1 1 1 2 -0.29705718659102D+01 0.16464910288354D-06
|
|
2 1 1 2 -0.34562546471831D+00 -0.11512428342006D-05
|
|
3 1 1 2 -0.64935455247204D+00 -0.33908581271626D-05
|
|
1 2 1 2 -0.34800968445864D+02 0.12767564117309D-14
|
|
2 2 1 2 -0.20890882087970D+02 -0.26479471321926D-05
|
|
3 2 1 2 -0.27642034664001D+02 -0.15012474061479D-05
|
|
1 1 2 2 -0.14965961628963D+01 -0.39655198863707D-05
|
|
2 1 2 2 0.14033813417548D+01 -0.63971122071374D-06
|
|
3 1 2 2 0.58535403107129D+00 -0.38299677368438D-05
|
|
1 2 2 2 -0.20890882087970D+02 0.26479471331363D-05
|
|
2 2 2 2 -0.21480841804126D+02 -0.16653349471838D-15
|
|
3 2 2 2 -0.19046437149816D+02 0.48975162105133D-06
|
|
1 1 3 2 -0.27896324069055D+01 -0.35153184927389D-05
|
|
2 1 3 2 -0.10093161315439D+00 0.15457860739402D-05
|
|
3 1 3 2 -0.98386564988263D+00 -0.28051691490523D-05
|
|
1 2 3 2 -0.27642034664001D+02 0.15012474061479D-05
|
|
2 2 3 2 -0.19046437149816D+02 -0.48975162094031D-06
|
|
3 2 3 2 -0.29678015202149D+02 -0.10286766398921D-21
|
|
Band: 4
|
|
1 1 1 1 -0.12927856881208D+02 -0.83266685901446D-16
|
|
2 1 1 1 -0.36885473020044D+01 -0.30139657252624D-05
|
|
3 1 1 1 0.27958701445055D+01 0.10646323121894D-05
|
|
1 2 1 1 0.11845314752992D+01 -0.38313419523145D-07
|
|
2 2 1 1 -0.18338355433661D+00 0.75609222484335D-07
|
|
3 2 1 1 -0.16428084906248D+00 0.91233123994169D-06
|
|
1 1 2 1 -0.36885473020044D+01 0.30139657251479D-05
|
|
2 1 2 1 -0.11442769618608D+02 0.17000279021712D-15
|
|
3 1 2 1 -0.59511890693379D+01 0.37009369795081D-05
|
|
1 2 2 1 0.14411061652031D+00 0.42350404853570D-05
|
|
2 2 2 1 0.46379927756802D+00 0.19753699536327D-06
|
|
3 2 2 1 -0.13933781631887D+01 -0.58844813190733D-06
|
|
1 1 3 1 0.27958701445054D+01 -0.10646323110792D-05
|
|
2 1 3 1 -0.59511890693379D+01 -0.37009369795358D-05
|
|
3 1 3 1 -0.20862598590024D+02 0.11102220639647D-15
|
|
1 2 3 1 0.18482802368067D+01 0.79836841683829D-06
|
|
2 2 3 1 -0.84601434630575D+00 -0.49696243167496D-06
|
|
3 2 3 1 -0.77109517470010D+00 -0.74169977401486D-06
|
|
1 1 1 2 0.11845314752992D+01 0.38313419550901D-07
|
|
2 1 1 2 0.14411061652031D+00 -0.42350404854610D-05
|
|
3 1 1 2 0.18482802368067D+01 -0.79836841618604D-06
|
|
1 2 1 2 -0.10834608761729D+02 -0.18041121089591D-15
|
|
2 2 1 2 -0.34008691375147D+01 -0.20899939171735D-06
|
|
3 2 1 2 0.15391884364752D+01 0.25717375760200D-05
|
|
1 1 2 2 -0.18338355433661D+00 -0.75609221839018D-07
|
|
2 1 2 2 0.46379927756802D+00 -0.19753699561307D-06
|
|
3 1 2 2 -0.84601434630575D+00 0.49696243160557D-06
|
|
1 2 2 2 -0.34008691375147D+01 0.20899939165837D-06
|
|
2 2 2 2 -0.11599804282251D+02 0.16653346320635D-15
|
|
3 2 2 2 -0.66334673215954D+01 -0.30042631044868D-06
|
|
1 1 3 2 -0.16428084906248D+00 -0.91233123983067D-06
|
|
2 1 3 2 -0.13933781631887D+01 0.58844813173733D-06
|
|
3 1 3 2 -0.77109517470010D+00 0.74169977440344D-06
|
|
1 2 3 2 0.15391884364752D+01 -0.25717375758535D-05
|
|
2 2 3 2 -0.66334673215954D+01 0.30042631015725D-06
|
|
3 2 3 2 -0.22121291434596D+02 -0.88297426573826D-15
|
|
Band: 5
|
|
1 1 1 1 -0.87228608605623D+00 -0.83266589147164D-16
|
|
2 1 1 1 0.68644043511688D+01 0.71053417007325D-06
|
|
3 1 1 1 0.17073268956656D+02 0.30057807570878D-05
|
|
1 2 1 1 -0.17255772806096D+02 0.15958987010812D-05
|
|
2 2 1 1 -0.12778990352370D+02 0.72222333206468D-05
|
|
3 2 1 1 -0.17758318102600D+02 0.49845882555465D-05
|
|
1 1 2 1 0.68644043511688D+01 -0.71053416935160D-06
|
|
2 1 2 1 -0.37865024469516D+01 -0.62450037225250D-16
|
|
3 1 2 1 0.34470155057227D+01 -0.70036147995903D-07
|
|
1 2 2 1 -0.10182695469897D+02 0.60727456217328D-05
|
|
2 2 2 1 -0.87491261461905D+01 0.69882224361064D-05
|
|
3 2 2 1 -0.96579833357521D+01 0.57583627799873D-05
|
|
1 1 3 1 0.17073268956656D+02 -0.30057807582258D-05
|
|
2 1 3 1 0.34470155057227D+01 0.70036147739164D-07
|
|
3 1 3 1 -0.97154944248014D+01 -0.30531133636665D-15
|
|
1 2 3 1 -0.14334908591336D+02 0.35106538486726D-05
|
|
2 2 3 1 -0.10211415740667D+02 0.74458867856620D-05
|
|
3 2 3 1 -0.12059296537752D+02 0.40692388484133D-05
|
|
1 1 1 2 -0.17255772806096D+02 -0.15958987006059D-05
|
|
2 1 1 2 -0.10182695469897D+02 -0.60727456226001D-05
|
|
3 1 1 2 -0.14334908591336D+02 -0.35106538496718D-05
|
|
1 2 1 2 -0.38939745877551D+01 -0.19428893263267D-15
|
|
2 2 1 2 0.57994377976529D+01 -0.28577820189773D-05
|
|
3 2 1 2 0.12191029658567D+02 0.11620344397549D-05
|
|
1 1 2 2 -0.12778990352370D+02 -0.72222333210076D-05
|
|
2 1 2 2 -0.87491261461905D+01 -0.69882224362729D-05
|
|
3 1 2 2 -0.10211415740667D+02 -0.74458867859673D-05
|
|
1 2 2 2 0.57994377976529D+01 0.28577820184222D-05
|
|
2 2 2 2 -0.32144353593088D+01 -0.11102223206815D-15
|
|
3 2 2 2 0.21545061865486D+01 0.27358943017176D-05
|
|
1 1 3 2 -0.17758318102600D+02 -0.49845882558379D-05
|
|
2 1 3 2 -0.96579833357521D+01 -0.57583627805111D-05
|
|
3 1 3 2 -0.12059296537752D+02 -0.40692388471920D-05
|
|
1 2 3 2 0.12191029658567D+02 -0.11620344403933D-05
|
|
2 2 3 2 0.21545061865486D+01 -0.27358943019952D-05
|
|
3 2 3 2 -0.14013738043105D+02 -0.44408926020468D-15
|
|
Band: 6
|
|
1 1 1 1 -0.39830170351531D+02 -0.60021437872946D-15
|
|
2 1 1 1 -0.21984630722555D+02 0.86814929703532D-06
|
|
3 1 1 1 -0.26501942313166D+02 0.39777255884038D-05
|
|
1 2 1 1 0.26949979194034D+01 -0.42250190695947D-07
|
|
2 2 1 1 0.11689883328944D+01 0.52619877148679D-07
|
|
3 2 1 1 0.14327575103951D+00 -0.32437287698779D-05
|
|
1 1 2 1 -0.21984630722555D+02 -0.86814929695205D-06
|
|
2 1 2 1 -0.20138823181667D+02 0.77021712159049D-15
|
|
3 1 2 1 -0.13675167352941D+02 0.19318795973490D-05
|
|
1 2 2 1 0.16955324133333D+01 0.21036433350882D-05
|
|
2 2 2 1 -0.19738624834046D+01 -0.13407627555852D-06
|
|
3 2 2 1 -0.63208309796656D+01 -0.43118014045221D-05
|
|
1 1 3 1 -0.26501942313166D+02 -0.39777255896944D-05
|
|
2 1 3 1 -0.13675167352941D+02 -0.19318795973039D-05
|
|
3 1 3 1 -0.10755842871596D+02 -0.10408104204657D-16
|
|
1 2 3 1 0.15409624325557D+01 0.21489582147891D-05
|
|
2 2 3 1 -0.42189716935407D+01 -0.29807943050427D-05
|
|
3 2 3 1 -0.18349803930252D+02 -0.54099957325079D-05
|
|
1 1 1 2 0.26949979194034D+01 0.42250191847804D-07
|
|
2 1 1 2 0.16955324133333D+01 -0.21036433337560D-05
|
|
3 1 1 2 0.15409624325557D+01 -0.21489582152054D-05
|
|
1 2 1 2 -0.41306774810173D+02 0.88817843003988D-15
|
|
2 2 1 2 -0.22145492786796D+02 -0.25452192798797D-06
|
|
3 2 1 2 -0.24930866782483D+02 0.16283710353766D-05
|
|
1 1 2 2 0.11689883328944D+01 -0.52619879049936D-07
|
|
2 1 2 2 -0.19738624834046D+01 0.13407627460096D-06
|
|
3 1 2 2 -0.42189716935407D+01 0.29807943057505D-05
|
|
1 2 2 2 -0.22145492786796D+02 0.25452192887614D-06
|
|
2 2 2 2 -0.20575682613147D+02 0.66613374096215D-15
|
|
3 2 2 2 -0.14094682472641D+02 -0.23969112475829D-05
|
|
1 1 3 2 0.14327575103951D+00 0.32437287694824D-05
|
|
2 1 3 2 -0.63208309796656D+01 0.43118014049922D-05
|
|
3 1 3 2 -0.18349803930252D+02 0.54099957329242D-05
|
|
1 2 3 2 -0.24930866782483D+02 -0.16283710356542D-05
|
|
2 2 3 2 -0.14094682472641D+02 0.23969112476757D-05
|
|
3 2 3 2 -0.98516943026410D+01 -0.18388065872674D-15
|
|
Band: 7
|
|
1 1 1 1 -0.16583589996182D+02 -0.20816674577289D-16
|
|
2 1 1 1 -0.76557876583611D+01 -0.56317260323220D-05
|
|
3 1 1 1 -0.96592231137080D+01 0.10519247203481D-05
|
|
1 2 1 1 -0.23362208755336D+01 -0.45830144270062D-06
|
|
2 2 1 1 0.24388074350126D+01 0.36784314835620D-06
|
|
3 2 1 1 0.75474231773065D+01 0.20812688316229D-05
|
|
1 1 2 1 -0.76557876583611D+01 0.56317260316606D-05
|
|
2 1 2 1 -0.88762119586831D+01 -0.10234852686011D-15
|
|
3 1 2 1 -0.96130546619034D+01 0.73398608208931D-07
|
|
1 2 2 1 0.22887381874158D+01 0.60305195196934D-05
|
|
2 2 2 1 0.25633800099046D+01 0.11708579389218D-05
|
|
3 2 2 1 0.74973966933351D+01 0.33741191133707D-06
|
|
1 1 3 1 -0.96592231137080D+01 -0.10519247200862D-05
|
|
2 1 3 1 -0.96130546619034D+01 -0.73398607974744D-07
|
|
3 1 3 1 -0.19118742137756D+02 0.15829346584401D-15
|
|
1 2 3 1 0.74499667789546D+01 0.11867056302098D-06
|
|
2 2 3 1 0.74995536156198D+01 -0.89416310209654D-06
|
|
3 2 3 1 0.14996800183364D+02 -0.13591075836007D-06
|
|
1 1 1 2 -0.23362208755336D+01 0.45830144258959D-06
|
|
2 1 1 2 0.22887381874158D+01 -0.60305195195268D-05
|
|
3 1 1 2 0.74499667789546D+01 -0.11867056335405D-06
|
|
1 2 1 2 -0.16391004566828D+02 0.69388938211892D-16
|
|
2 2 1 2 -0.74055077600952D+01 0.33254458179946D-06
|
|
3 2 1 2 -0.94598926404442D+01 0.22136686608665D-05
|
|
1 1 2 2 0.24388074350125D+01 -0.36784314830069D-06
|
|
2 1 2 2 0.25633800099046D+01 -0.11708579385141D-05
|
|
3 1 2 2 0.74995536156198D+01 0.89416310140265D-06
|
|
1 2 2 2 -0.74055077600952D+01 -0.33254458174395D-06
|
|
2 2 2 2 -0.87804651831525D+01 -0.83266729795010D-15
|
|
3 2 2 2 -0.95057901201361D+01 -0.62936559867714D-06
|
|
1 1 3 2 0.75474231773065D+01 -0.20812688319559D-05
|
|
2 1 3 2 0.74973966933351D+01 -0.33741191122605D-06
|
|
3 1 3 2 0.14996800183364D+02 0.13591075866538D-06
|
|
1 2 3 2 -0.94598926404442D+01 -0.22136686607590D-05
|
|
2 2 3 2 -0.95057901201361D+01 0.62936559933980D-06
|
|
3 2 3 2 -0.19118835198505D+02 -0.15959463779556D-15
|
|
Band: 8
|
|
1 1 1 1 -0.49463350002059D+01 -0.72858352283416D-16
|
|
2 1 1 1 -0.28179329144013D+01 -0.10460912678708D-05
|
|
3 1 1 1 -0.30863675666351D+01 0.48154410563962D-06
|
|
1 2 1 1 -0.24003512220200D+01 0.19972713223661D-06
|
|
2 2 1 1 -0.41710351309056D+00 0.29184238287982D-05
|
|
3 2 1 1 0.30346356405791D+01 -0.38991772264974D-06
|
|
1 1 2 1 -0.28179329144013D+01 0.10460912676002D-05
|
|
2 1 2 1 -0.23085175730745D+02 0.72164510786783D-15
|
|
3 1 2 1 -0.25525129389733D+01 0.25969531874928D-05
|
|
1 2 2 1 0.17370253607709D+00 -0.89208781608448D-06
|
|
2 2 2 1 -0.71419388310740D+01 0.39987507072670D-05
|
|
3 2 2 1 0.35702010289733D+01 -0.18150780673679D-05
|
|
1 1 3 1 -0.30863675666351D+01 -0.48154410579227D-06
|
|
2 1 3 1 -0.25525129389733D+01 -0.25969531879265D-05
|
|
3 1 3 1 -0.74615116680589D+01 0.34694273133791D-16
|
|
1 2 3 1 0.17433976619484D+01 0.22749099544723D-06
|
|
2 2 3 1 0.12077496192444D+01 0.37860877665226D-05
|
|
3 2 3 1 0.47783473558406D+01 -0.11380084180237D-05
|
|
1 1 1 2 -0.24003512220200D+01 -0.19972713208049D-06
|
|
2 1 1 2 0.17370253607709D+00 0.89208781579999D-06
|
|
3 1 1 2 0.17433976619484D+01 -0.22749099556519D-06
|
|
1 2 1 2 -0.60870814677406D+01 0.13877792442611D-15
|
|
2 2 1 2 -0.47116402275536D+01 -0.16879617544289D-05
|
|
3 2 1 2 -0.43753105489494D+01 -0.41624174496182D-06
|
|
1 1 2 2 -0.41710351309056D+00 -0.29184238288815D-05
|
|
2 1 2 2 -0.71419388310740D+01 -0.39987507032771D-05
|
|
3 1 2 2 0.12077496192444D+01 -0.37860877668557D-05
|
|
1 2 2 2 -0.47116402275536D+01 0.16879617544428D-05
|
|
2 2 2 2 -0.25429446509043D+02 -0.13045120782071D-14
|
|
3 2 2 2 -0.49090948835541D+01 -0.59824826407298D-06
|
|
1 1 3 2 0.30346356405791D+01 0.38991772365587D-06
|
|
2 1 3 2 0.35702010289733D+01 0.18150780656852D-05
|
|
3 1 3 2 0.47783473558406D+01 0.11380084183776D-05
|
|
1 2 3 2 -0.43753105489494D+01 0.41624174539116D-06
|
|
2 2 3 2 -0.49090948835541D+01 0.59824826384747D-06
|
|
3 2 3 2 -0.74615816284201D+01 0.21684064620667D-16
|
|
K-point: 5.00000000E-01 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.94043421783401D+01 0.46837570764309D-16
|
|
2 1 1 1 -0.74436051922361D+01 0.12578502387489D-05
|
|
3 1 1 1 -0.38833085507505D+01 0.14896788806970D-05
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|
1 2 1 1 -0.11642240589445D+01 0.83315251192187D-06
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|
2 2 1 1 0.32097843548850D+00 0.24540279136192D-05
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|
3 2 1 1 0.19972575153506D+01 0.45063946561407D-06
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|
1 1 2 1 -0.74436051922361D+01 -0.12578502385724D-05
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|
2 1 2 1 -0.10481806634904D+02 0.25413701166788D-15
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|
3 1 2 1 -0.38710356528679D+01 0.11835742223191D-05
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|
1 2 2 1 0.26748240200912D+00 -0.89957668244496D-06
|
|
2 2 2 1 0.51613132114352D+00 0.16293968680959D-05
|
|
3 2 2 1 0.19966924782745D+01 0.95034506637314D-07
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|
1 1 3 1 -0.38833085507505D+01 -0.14896788814265D-05
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|
2 1 3 1 -0.38710356528679D+01 -0.11835742225273D-05
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|
3 1 3 1 -0.77633587415074D+01 0.19428903768863D-15
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|
1 2 3 1 0.20474604044997D+01 0.12708752989474D-05
|
|
2 2 3 1 0.19766774643895D+01 0.15687217296275D-05
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|
3 2 3 1 0.40251648519360D+01 -0.31353082354245D-07
|
|
1 1 1 2 -0.11642240589445D+01 -0.83315251222718D-06
|
|
2 1 1 2 0.26748240200912D+00 0.89957668236170D-06
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|
3 1 1 2 0.20474604044997D+01 -0.12708752984027D-05
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|
1 2 1 2 -0.66679371853197D+01 -0.24286134867530D-16
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|
2 2 1 2 -0.42553712973958D+01 -0.15308927275108D-05
|
|
3 2 1 2 -0.32383891352407D+01 -0.85280843129696D-06
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|
1 1 2 2 0.32097843548850D+00 -0.24540279135468D-05
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|
2 1 2 2 0.51613132114352D+00 -0.16293968682139D-05
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|
3 1 2 2 0.19766774643895D+01 -0.15687217291158D-05
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|
1 2 2 2 -0.42553712973958D+01 0.15308927274610D-05
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|
2 2 2 2 -0.67692620853646D+01 0.25326959514210D-15
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|
3 2 2 2 -0.31598281787785D+01 -0.12515541016278D-06
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|
1 1 3 2 0.19972575153506D+01 -0.45063946569474D-06
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|
2 1 3 2 0.19966924782745D+01 -0.95034506906197D-07
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|
3 1 3 2 0.40251648519360D+01 0.31353082423634D-07
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|
1 2 3 2 -0.32383891352407D+01 0.85280843157191D-06
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|
2 2 3 2 -0.31598281787785D+01 0.12515541013850D-06
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|
3 2 3 2 -0.63884945824312D+01 -0.41633341969349D-16
|
|
Band: 2
|
|
1 1 1 1 -0.67622372220393D+01 0.26367797879163D-15
|
|
2 1 1 1 -0.38584384288112D+01 -0.27236135984069D-05
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|
3 1 1 1 -0.19785687106009D+01 -0.15690090181072D-05
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|
1 2 1 1 0.70079057638490D+00 0.17038066948533D-06
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|
2 2 1 1 -0.51804826725603D-01 0.39020003524392D-06
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|
3 2 1 1 0.18678297746359D+00 0.59510985373070D-06
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|
1 1 2 1 -0.38584384288112D+01 0.27236135988670D-05
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|
2 1 2 1 -0.79458570358216D+01 0.10408336306367D-15
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|
3 1 2 1 -0.19465287265303D+01 0.22758508111491D-05
|
|
1 2 2 1 0.16885475768017D-02 0.12349304769421D-06
|
|
2 2 2 1 0.19700965311631D+01 0.29357090765710D-05
|
|
3 2 2 1 0.13132222492629D+00 0.47172142145217D-06
|
|
1 1 3 1 -0.19785687106009D+01 0.15690090181328D-05
|
|
2 1 3 1 -0.19465287265303D+01 -0.22758508114024D-05
|
|
3 1 3 1 -0.38806187179074D+01 0.15612515563665D-16
|
|
1 2 3 1 0.13658068394763D+00 -0.95860297850248D-06
|
|
2 2 3 1 0.15133728617990D+00 0.18044869233133D-05
|
|
3 2 3 1 0.25902895256320D+00 0.18252095940723D-06
|
|
1 1 1 2 0.70079057638490D+00 -0.17038066936650D-06
|
|
2 1 1 2 0.16885475768012D-02 -0.12349304774625D-06
|
|
3 1 1 2 0.13658068394763D+00 0.95860297840186D-06
|
|
1 2 1 2 -0.94986382226268D+01 -0.54990733113130D-15
|
|
2 2 1 2 -0.70466670843408D+01 -0.32583065078893D-06
|
|
3 2 1 2 -0.26234864183816D+01 0.58227053356444D-06
|
|
1 1 2 2 -0.51804826725604D-01 -0.39020003482758D-06
|
|
2 1 2 2 0.19700965311631D+01 -0.29357090763350D-05
|
|
3 1 2 2 0.15133728617990D+00 -0.18044869232960D-05
|
|
1 2 2 2 -0.70466670843408D+01 0.32583065065406D-06
|
|
2 2 2 2 -0.11658392375591D+02 0.99226183306672D-15
|
|
3 2 2 2 -0.26577335122619D+01 0.95294218571715D-06
|
|
1 1 3 2 0.18678297746359D+00 -0.59510985385733D-06
|
|
2 1 3 2 0.13132222492629D+00 -0.47172142172106D-06
|
|
3 1 3 2 0.25902895256320D+00 -0.18252095942804D-06
|
|
1 2 3 2 -0.26234864183816D+01 -0.58227053273438D-06
|
|
2 2 3 2 -0.26577335122619D+01 -0.95294218570327D-06
|
|
3 2 3 2 -0.52554802737356D+01 -0.12490010232887D-15
|
|
Band: 3
|
|
1 1 1 1 -0.77468030900396D+01 -0.20730010962739D-15
|
|
2 1 1 1 -0.28301494980692D+01 0.70040299812250D-05
|
|
3 1 1 1 -0.11014141155540D+02 0.45164924008510D-05
|
|
1 2 1 1 -0.14457111027416D+02 0.31716622011072D-05
|
|
2 2 1 1 -0.65669516376833D+01 0.73270793278520D-05
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|
3 2 1 1 -0.66834127003214D+01 0.20890897245029D-05
|
|
1 1 2 1 -0.28301494980692D+01 -0.70040299816379D-05
|
|
2 1 2 1 -0.86771068575446D+01 0.68521047388504D-16
|
|
3 1 2 1 -0.94370014714097D+01 -0.59409207989548D-06
|
|
1 2 2 1 -0.80319524227977D+01 0.63076716336347D-05
|
|
2 2 2 1 -0.36774562744576D+01 0.77775184820150D-05
|
|
3 2 2 1 -0.38203286788049D+01 0.42769998641964D-05
|
|
1 1 3 1 -0.11014141155540D+02 -0.45164924009109D-05
|
|
2 1 3 1 -0.94370014714097D+01 0.59409207996833D-06
|
|
3 1 3 1 -0.30920963476737D+02 -0.36082238442187D-15
|
|
1 2 3 1 -0.83682238709679D+01 0.82604956196737D-05
|
|
2 2 3 1 -0.37898036145281D+01 0.99608214824094D-05
|
|
3 2 3 1 -0.15424873250547D+01 0.63419406438192D-05
|
|
1 1 1 2 -0.14457111027416D+02 -0.31716622009736D-05
|
|
2 1 1 2 -0.80319524227977D+01 -0.63076716334890D-05
|
|
3 1 1 2 -0.83682238709679D+01 -0.82604956178106D-05
|
|
1 2 1 2 0.99711448985062D+00 -0.32612775762634D-15
|
|
2 2 1 2 -0.25277353472207D+01 -0.71607123560309D-05
|
|
3 2 1 2 -0.72130469462374D+01 -0.22270373054667D-05
|
|
1 1 2 2 -0.65669516376833D+01 -0.73270793268927D-05
|
|
2 1 2 2 -0.36774562744576D+01 -0.77775184815848D-05
|
|
3 1 2 2 -0.37898036145281D+01 -0.99608214820070D-05
|
|
1 2 2 2 -0.25277353472207D+01 0.71607123571134D-05
|
|
2 2 2 2 -0.14791062899956D+02 0.44408951472024D-15
|
|
3 2 2 2 -0.16391559342232D+02 0.28366429267661D-05
|
|
1 1 3 2 -0.66834127003214D+01 -0.20890897232886D-05
|
|
2 1 3 2 -0.38203286788049D+01 -0.42769998636795D-05
|
|
3 1 3 2 -0.15424873250547D+01 -0.63419406429311D-05
|
|
1 2 3 2 -0.72130469462374D+01 0.22270373036452D-05
|
|
2 2 3 2 -0.16391559342232D+02 -0.28366429268771D-05
|
|
3 2 3 2 -0.32884474935115D+02 -0.55511144578108D-15
|
|
Band: 4
|
|
1 1 1 1 -0.11477980189990D+02 0.84567852585521D-16
|
|
2 1 1 1 -0.83499919959627D+00 0.64682525843012D-06
|
|
3 1 1 1 -0.48025352148337D+01 0.47107695371325D-05
|
|
1 2 1 1 -0.27012217632871D+01 -0.40948410327254D-06
|
|
2 2 1 1 0.49586257209249D+00 0.83090870739309D-06
|
|
3 2 1 1 -0.16555447749182D+01 0.26122191110176D-05
|
|
1 1 2 1 -0.83499919959628D+00 -0.64682525814475D-06
|
|
2 1 2 1 -0.18666724665207D+02 0.11969590150225D-15
|
|
3 1 2 1 -0.91323316727807D+01 -0.43767823875885D-05
|
|
1 2 2 1 0.19608726835734D+01 0.53599479473979D-06
|
|
2 2 2 1 0.62506386889248D+00 -0.43373382396932D-05
|
|
3 2 2 1 0.59258637009325D+00 -0.23995937216988D-05
|
|
1 1 3 1 -0.48025352148337D+01 -0.47107695372193D-05
|
|
2 1 3 1 -0.91323316727807D+01 0.43767823878973D-05
|
|
3 1 3 1 -0.12023794206467D+02 0.17520707638248D-15
|
|
1 2 3 1 0.29258362384160D-01 0.36732596540963D-05
|
|
2 2 3 1 0.56205009472546D+00 -0.23676096713775D-05
|
|
3 2 3 1 0.19296532621599D+01 0.10768462933410D-05
|
|
1 1 1 2 -0.27012217632871D+01 0.40948410360388D-06
|
|
2 1 1 2 0.19608726835735D+01 -0.53599479502862D-06
|
|
3 1 1 2 0.29258362384161D-01 -0.36732596542524D-05
|
|
1 2 1 2 -0.20221863573120D+02 0.83266774823362D-16
|
|
2 2 1 2 -0.11373962725130D+01 -0.87352884813312D-06
|
|
3 2 1 2 -0.86036206709147D+01 -0.21301744598867D-05
|
|
1 1 2 2 0.49586257209249D+00 -0.83090870761948D-06
|
|
2 1 2 2 0.62506386889248D+00 0.43373382410255D-05
|
|
3 1 2 2 0.56205009472546D+00 0.23676096725371D-05
|
|
1 2 2 2 -0.11373962725130D+01 0.87352884827537D-06
|
|
2 2 2 2 -0.12552764994005D+02 -0.11657342059015D-14
|
|
3 2 2 2 -0.21777720704391D+01 0.70220591805467D-06
|
|
1 1 3 2 -0.16555447749182D+01 -0.26122191110852D-05
|
|
2 1 3 2 0.59258637009325D+00 0.23995937217057D-05
|
|
3 1 3 2 0.19296532621599D+01 -0.10768462938059D-05
|
|
1 2 3 2 -0.86036206709148D+01 0.21301744595918D-05
|
|
2 2 3 2 -0.21777720704391D+01 -0.70220591844324D-06
|
|
3 2 3 2 -0.10060286034816D+02 -0.48919203728162D-15
|
|
Band: 5
|
|
1 1 1 1 -0.27681545105410D+01 -0.30357658503149D-15
|
|
2 1 1 1 -0.15811634598676D+01 0.18735979884799D-05
|
|
3 1 1 1 0.14129519503363D+01 0.44391183444355D-06
|
|
1 2 1 1 -0.10624427842226D+01 0.71737971065724D-06
|
|
2 2 1 1 -0.99476364709785D-01 0.11212220083252D-05
|
|
3 2 1 1 0.94152729915777D+00 0.79312078230486D-07
|
|
1 1 2 1 -0.15811634598676D+01 -0.18735979879595D-05
|
|
2 1 2 1 -0.39788372873730D+01 0.98532285225715D-15
|
|
3 1 2 1 -0.56738707354424D+00 -0.11276279815975D-05
|
|
1 2 2 1 -0.17557377904187D-01 -0.10109383935353D-06
|
|
2 2 2 1 0.28557561959999D+00 0.15435129639469D-05
|
|
3 2 2 1 0.28073622166791D+01 0.16409033381913D-05
|
|
1 1 3 1 0.14129519503363D+01 -0.44391183428569D-06
|
|
2 1 3 1 -0.56738707354424D+00 0.11276279820382D-05
|
|
3 1 3 1 -0.48082905378018D+01 -0.55511040248922D-16
|
|
1 2 3 1 0.10751492555251D+01 0.18483336285412D-05
|
|
2 2 3 1 0.26232978244659D+01 0.38980690450617D-05
|
|
3 2 3 1 0.91051760901889D+01 0.30919473402688D-05
|
|
1 1 1 2 -0.10624427842226D+01 -0.71737971082724D-06
|
|
2 1 1 2 -0.17557377904186D-01 0.10109383988262D-06
|
|
3 1 1 2 0.10751492555251D+01 -0.18483336282775D-05
|
|
1 2 1 2 -0.25413835031676D+01 0.17347234304819D-15
|
|
2 2 1 2 -0.11618346150554D+01 -0.94992582213405D-06
|
|
3 2 1 2 0.11739049748939D+01 -0.18189053911290D-06
|
|
1 1 2 2 -0.99476364709785D-01 -0.11212220078447D-05
|
|
2 1 2 2 0.28557561959999D+00 -0.15435129639226D-05
|
|
3 1 2 2 0.26232978244659D+01 -0.38980690448344D-05
|
|
1 2 2 2 -0.11618346150554D+01 0.94992582260069D-06
|
|
2 2 2 2 -0.33552734461629D+01 0.55858098752761D-15
|
|
3 2 2 2 -0.40574253832167D+00 0.24534749528111D-05
|
|
1 1 3 2 0.94152729915777D+00 -0.79312078157627D-07
|
|
2 1 3 2 0.28073622166791D+01 -0.16409033385313D-05
|
|
3 1 3 2 0.91051760901889D+01 -0.30919473400190D-05
|
|
1 2 3 2 0.11739049748939D+01 0.18189053965067D-06
|
|
2 2 3 2 -0.40574253832167D+00 -0.24534749520721D-05
|
|
3 2 3 2 -0.48026487904958D+01 0.13877848144592D-16
|
|
Band: 6
|
|
1 1 1 1 -0.60689076762480D+01 0.61582673354687D-16
|
|
2 1 1 1 -0.25454403548394D+01 -0.73690832997088D-06
|
|
3 1 1 1 -0.12315489906587D+01 0.80883859826945D-06
|
|
1 2 1 1 0.13658100841837D+01 -0.40477375164126D-06
|
|
2 2 1 1 -0.53389089893586D+00 0.39261213131415D-06
|
|
3 2 1 1 0.45394212181878D+00 0.83773606771015D-06
|
|
1 1 2 1 -0.25454403548394D+01 0.73690833005761D-06
|
|
2 1 2 1 -0.54191494037986D+01 0.13704318324330D-15
|
|
3 1 2 1 -0.20132186833711D+01 -0.11683022867986D-05
|
|
1 2 2 1 -0.61581131001426D+00 0.24044266590110D-05
|
|
2 2 2 1 -0.19650031362692D+01 -0.13343317130198D-05
|
|
3 2 2 1 -0.61642173177729D+00 0.99502818001701D-07
|
|
1 1 3 1 -0.12315489906587D+01 -0.80883859839088D-06
|
|
2 1 3 1 -0.20132186833711D+01 0.11683022864252D-05
|
|
3 1 3 1 -0.32254802059143D+01 0.16306401009188D-15
|
|
1 2 3 1 0.32031425298204D+00 0.32100159867746D-06
|
|
2 2 3 1 -0.43235923450167D+00 -0.88370355224570D-06
|
|
3 2 3 1 -0.19471022852632D+00 0.79744387546129D-07
|
|
1 1 1 2 0.13658100841837D+01 0.40477375150595D-06
|
|
2 1 1 2 -0.61581131001426D+00 -0.24044266586363D-05
|
|
3 1 1 2 0.32031425298204D+00 -0.32100159866012D-06
|
|
1 2 1 2 -0.62956733466401D+01 0.49613093349056D-15
|
|
2 2 1 2 -0.29647665679432D+01 0.72945316792252D-06
|
|
3 2 1 2 -0.99249624366588D+00 0.11931281137550D-05
|
|
1 1 2 2 -0.53389089893586D+00 -0.39261213149456D-06
|
|
2 1 2 2 -0.19650031362692D+01 0.13343317130355D-05
|
|
3 1 2 2 -0.43235923450167D+00 0.88370355228906D-06
|
|
1 2 2 2 -0.29647665679432D+01 -0.72945316805003D-06
|
|
2 2 2 2 -0.60427149379493D+01 0.27755580594868D-16
|
|
3 2 2 2 -0.21748614903875D+01 -0.76127778597148D-06
|
|
1 1 3 2 0.45394212181878D+00 -0.83773606782594D-06
|
|
2 1 3 2 -0.61642173177729D+00 -0.99502818109254D-07
|
|
3 1 3 2 -0.19471022852632D+00 -0.79744387671029D-07
|
|
1 2 3 2 -0.99249624366588D+00 -0.11931281131747D-05
|
|
2 2 3 2 -0.21748614903875D+01 0.76127778643638D-06
|
|
3 2 3 2 -0.32311213245562D+01 -0.13183898170820D-15
|
|
Band: 7
|
|
1 1 1 1 -0.34309843353890D+02 0.10755285009253D-14
|
|
2 1 1 1 -0.98208468377692D+01 -0.16024264686587D-05
|
|
3 1 1 1 -0.33652950394124D+02 -0.37116002953364D-05
|
|
1 2 1 1 -0.77816132003037D+01 -0.75152844479091D-06
|
|
2 2 1 1 -0.95964061374559D+01 0.67515518209879D-07
|
|
3 2 1 1 -0.10184587386937D+02 -0.10563458462020D-05
|
|
1 1 2 1 -0.98208468377692D+01 0.16024264665892D-05
|
|
2 1 2 1 -0.15875396132039D+02 -0.97144578761199D-16
|
|
3 1 2 1 -0.11846283577335D+02 0.18373250381297D-06
|
|
1 2 2 1 -0.81963372478405D+01 -0.36704940451462D-05
|
|
2 2 2 1 -0.76014527837390D+01 0.11247720972935D-05
|
|
3 2 2 1 -0.84043901343395D+01 -0.24306811727540D-06
|
|
1 1 3 1 -0.33652950394124D+02 0.37116002954752D-05
|
|
2 1 3 1 -0.11846283577335D+02 -0.18373250478224D-06
|
|
3 1 3 1 -0.52419294721292D+02 -0.22204463217029D-15
|
|
1 2 3 1 -0.11295272506106D+02 -0.30166654980029D-05
|
|
2 2 3 1 -0.12427317122273D+02 0.15522737396235D-05
|
|
3 2 3 1 -0.20261083985729D+02 -0.12100148211528D-05
|
|
1 1 1 2 -0.77816132003037D+01 0.75152844847546D-06
|
|
2 1 1 2 -0.81963372478405D+01 0.36704940457781D-05
|
|
3 1 1 2 -0.11295272506106D+02 0.30166655025618D-05
|
|
1 2 1 2 -0.18048170071613D+02 0.63837819780043D-15
|
|
2 2 1 2 -0.15927722853247D+02 0.16599715580302D-05
|
|
3 2 1 2 -0.17996653907930D+02 0.36333465568127D-06
|
|
1 1 2 2 -0.95964061374559D+01 -0.67515521845859D-07
|
|
2 1 2 2 -0.76014527837390D+01 -0.11247720973767D-05
|
|
3 1 2 2 -0.12427317122273D+02 -0.15522737366814D-05
|
|
1 2 2 2 -0.15927722853247D+02 -0.16599715567950D-05
|
|
2 2 2 2 -0.44171644058650D+02 0.88817843810651D-15
|
|
3 2 2 2 -0.40356890333391D+02 -0.13311718796919D-05
|
|
1 1 3 2 -0.10184587386937D+02 0.10563458480339D-05
|
|
2 1 3 2 -0.84043901343395D+01 0.24306812157752D-06
|
|
3 1 3 2 -0.20261083985729D+02 0.12100148282860D-05
|
|
1 2 3 2 -0.17996653907930D+02 -0.36333464967219D-06
|
|
2 2 3 2 -0.40356890333391D+02 0.13311718772495D-05
|
|
3 2 3 2 -0.53067489197440D+02 0.22204459747394D-14
|
|
Band: 8
|
|
1 1 1 1 -0.22839468966160D+02 0.27408636086435D-15
|
|
2 1 1 1 0.60420846453136D+01 0.33386906810288D-06
|
|
3 1 1 1 -0.50192400018557D+01 0.11094220263807D-05
|
|
1 2 1 1 0.29393128381249D+01 0.20830450291235D-05
|
|
2 2 1 1 -0.28785497227705D+01 0.29676951392848D-05
|
|
3 2 1 1 -0.26413746753304D+01 0.39116327697356D-06
|
|
1 1 2 1 0.60420846453136D+01 -0.33386906690939D-06
|
|
2 1 2 1 -0.44615945868543D+02 -0.53290705231638D-14
|
|
3 1 2 1 -0.26986094828113D+02 0.42093476389593D-05
|
|
1 2 2 1 -0.42786167234087D+01 -0.20737253442850D-05
|
|
2 2 2 1 -0.57710362172925D+01 0.68908045195103D-06
|
|
3 2 2 1 -0.38955460949222D+01 0.67514821754313D-06
|
|
1 1 3 1 -0.50192400018557D+01 -0.11094220261447D-05
|
|
2 1 3 1 -0.26986094828113D+02 -0.42093476418459D-05
|
|
3 1 3 1 -0.25768068007695D+02 0.19637069536731D-14
|
|
1 2 3 1 -0.15306804451060D+01 0.22233441611300D-05
|
|
2 2 3 1 0.12738675906569D+00 0.38092046349097D-05
|
|
3 2 3 1 -0.35840285423145D+01 0.48560329478409D-06
|
|
1 1 1 2 0.29393128381249D+01 -0.20830450278363D-05
|
|
2 1 1 2 -0.42786167234087D+01 0.20737253382551D-05
|
|
3 1 1 2 -0.15306804451060D+01 -0.22233441574420D-05
|
|
1 2 1 2 -0.39101147474684D+02 0.12212452759576D-14
|
|
2 2 1 2 0.12148960557782D+02 -0.24024029756028D-05
|
|
3 2 1 2 -0.20675537571846D+02 -0.23587954782448D-05
|
|
1 1 2 2 -0.28785497227705D+01 -0.29676951409293D-05
|
|
2 1 2 2 -0.57710362172925D+01 -0.68908044465131D-06
|
|
3 1 2 2 0.12738675906569D+00 -0.38092046375603D-05
|
|
1 2 2 2 0.12148960557782D+02 0.24024029790167D-05
|
|
2 2 2 2 -0.16319689817163D+02 -0.18873789292127D-14
|
|
3 2 2 2 0.15245126517412D+01 -0.15730635691688D-05
|
|
1 1 3 2 -0.26413746753304D+01 -0.39116327818786D-06
|
|
2 1 3 2 -0.38955460949222D+01 -0.67514822073155D-06
|
|
3 1 3 2 -0.35840285423145D+01 -0.48560328945502D-06
|
|
1 2 3 2 -0.20675537571846D+02 0.23587954786612D-05
|
|
2 2 3 2 0.15245126517412D+01 0.15730635700570D-05
|
|
3 2 3 2 -0.25119870863249D+02 0.16802106192483D-22
|
|
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.21930645049196D+02 -0.62450304365814D-16
|
|
2 1 1 1 -0.21000183459637D+01 -0.14907060234156D-04
|
|
3 1 1 1 -0.11810858548141D+02 -0.19209186582975D-04
|
|
1 2 1 1 0.14925920397680D+02 -0.16640410899026D-05
|
|
2 2 1 1 0.12501479285686D+01 -0.71702027569634D-05
|
|
3 2 1 1 0.10257141142799D+02 -0.63071825182788D-05
|
|
1 1 2 1 -0.21000183459637D+01 0.14907060234146D-04
|
|
2 1 2 1 -0.41706169579863D+01 -0.16263026750532D-16
|
|
3 1 2 1 -0.20884453840835D+01 0.98744664762291D-05
|
|
1 2 2 1 0.12210308530167D+01 -0.19628702011872D-04
|
|
2 2 2 1 0.24711312168800D+01 0.61896324306760D-07
|
|
3 2 2 1 0.12322472464508D+01 -0.10579912894476D-04
|
|
1 1 3 1 -0.11810858548141D+02 0.19209186583020D-04
|
|
2 1 3 1 -0.20884453840835D+01 -0.98744664761941D-05
|
|
3 1 3 1 -0.10206995545521D+02 -0.57247057662752D-16
|
|
1 2 3 1 0.98635303938796D+01 -0.19015949867615D-04
|
|
2 2 3 1 0.12389106055968D+01 -0.35639457194449D-05
|
|
3 2 3 1 0.61971935366530D+01 -0.13704731977281D-04
|
|
1 1 1 2 0.14925920397680D+02 0.16640410898384D-05
|
|
2 1 1 2 0.12210308530167D+01 0.19628702011751D-04
|
|
3 1 1 2 0.98635303938796D+01 0.19015949867614D-04
|
|
1 2 1 2 -0.20287821136526D+02 0.16653367943653D-15
|
|
2 2 1 2 -0.20706420722008D+01 0.57261786551927D-05
|
|
3 2 1 2 -0.11226205083250D+02 0.19727342452428D-05
|
|
1 1 2 2 0.12501479285686D+01 0.71702027569634D-05
|
|
2 1 2 2 0.24711312168800D+01 -0.61896324178391D-07
|
|
3 1 2 2 0.12389106055968D+01 0.35639457194480D-05
|
|
1 2 2 2 -0.20706420722008D+01 -0.57261786552552D-05
|
|
2 2 2 2 -0.41706160920470D+01 -0.34694479525344D-16
|
|
3 2 2 2 -0.20821975388562D+01 -0.35991331720336D-05
|
|
1 1 3 2 0.10257141142799D+02 0.63071825181947D-05
|
|
2 1 3 2 0.12322472464508D+01 0.10579912894626D-04
|
|
3 1 3 2 0.61971935366530D+01 0.13704731977246D-04
|
|
1 2 3 2 -0.11226205083250D+02 -0.19727342451734D-05
|
|
2 2 3 2 -0.20821975388562D+01 0.35991331721376D-05
|
|
3 2 3 2 -0.10091847997767D+02 0.11102233600210D-15
|
|
Band: 2
|
|
1 1 1 1 -0.61089004979048D+01 -0.76327829298215D-16
|
|
2 1 1 1 -0.27120064757165D+01 -0.11055256759763D-05
|
|
3 1 1 1 -0.12624011336833D+01 -0.43471997986408D-05
|
|
1 2 1 1 0.19364630468270D+00 -0.83891211874705D-06
|
|
2 2 1 1 -0.84510455232073D-01 -0.13665463843129D-05
|
|
3 2 1 1 -0.14546522336314D+01 0.23352126233788D-05
|
|
1 1 2 1 -0.27120064757165D+01 0.11055256759729D-05
|
|
2 1 2 1 -0.54193544568543D+01 -0.79797275671384D-16
|
|
3 1 2 1 -0.27073817487769D+01 -0.14507215446910D-05
|
|
1 2 2 1 -0.80049415585561D-01 -0.15263105545110D-05
|
|
2 2 2 1 -0.16456554603394D+00 0.52562577833049D-06
|
|
3 2 2 1 -0.85284581110187D-01 0.31145883666507D-05
|
|
1 1 3 1 -0.12624011336833D+01 0.43471997987987D-05
|
|
2 1 3 1 -0.27073817487769D+01 0.14507215447482D-05
|
|
3 1 3 1 -0.17102732876066D+02 -0.83266807103601D-16
|
|
1 2 3 1 -0.13515384151737D+01 -0.20281032855237D-05
|
|
2 2 3 1 -0.79290820793585D-01 0.32730688355682D-05
|
|
3 2 3 1 0.44658770127516D+01 0.43946810390872D-05
|
|
1 1 1 2 0.19364630468270D+00 0.83891211888583D-06
|
|
2 1 1 2 -0.80049415585561D-01 0.15263105546983D-05
|
|
3 1 1 2 -0.13515384151737D+01 0.20281032849235D-05
|
|
1 2 1 2 -0.60112967038903D+01 -0.24980019859646D-15
|
|
2 2 1 2 -0.27073520904269D+01 0.14653567066312D-05
|
|
3 2 1 2 -0.13896230397487D+01 0.22101943853753D-06
|
|
1 1 2 2 -0.84510455232074D-01 0.13665463843997D-05
|
|
2 1 2 2 -0.16456554603394D+00 -0.52562577873295D-06
|
|
3 1 2 2 -0.79290820793585D-01 -0.32730688352975D-05
|
|
1 2 2 2 -0.27073520904269D+01 -0.14653567066035D-05
|
|
2 2 2 2 -0.54193534243128D+01 -0.83266726207897D-16
|
|
3 2 2 2 -0.27119619516129D+01 0.32693061503119D-05
|
|
1 1 3 2 -0.14546522336314D+01 -0.23352126236758D-05
|
|
2 1 3 2 -0.85284581110187D-01 -0.31145883662136D-05
|
|
3 1 3 2 0.44658770127516D+01 -0.43946810384193D-05
|
|
1 2 3 2 -0.13896230397487D+01 -0.22101943812120D-06
|
|
2 2 3 2 -0.27119619516129D+01 -0.32693061505339D-05
|
|
3 2 3 2 -0.17036697080937D+02 -0.24286200770560D-16
|
|
Band: 3
|
|
1 1 1 1 -0.27641927542914D+02 -0.24286138486445D-16
|
|
2 1 1 1 -0.28894922983178D+02 0.63383256074945D-06
|
|
3 1 1 1 -0.18966078850062D+02 0.21210229051040D-05
|
|
1 2 1 1 -0.32387160388673D+01 0.79779913956581D-06
|
|
2 2 1 1 -0.16484187092080D+01 0.23030466135717D-05
|
|
3 2 1 1 -0.95103161685877D+00 0.16995660671512D-05
|
|
1 1 2 1 -0.28894922983178D+02 -0.63383255966698D-06
|
|
2 1 2 1 -0.37603829762457D+02 0.18596237400972D-14
|
|
3 1 2 1 -0.22342696825439D+02 -0.12148139726970D-05
|
|
1 2 2 1 -0.93338258720083D+00 0.26649950104553D-05
|
|
2 2 2 1 -0.10172465975613D+01 -0.10844593436926D-05
|
|
3 2 2 1 0.25187948555116D+00 -0.94013169625300D-06
|
|
1 1 3 1 -0.18966078850062D+02 -0.21210229041100D-05
|
|
2 1 3 1 -0.22342696825439D+02 0.12148139749452D-05
|
|
3 1 3 1 -0.22055590174117D+02 0.31918900652418D-15
|
|
1 2 3 1 -0.62343986486497D+00 0.32835195277495D-05
|
|
2 2 3 1 -0.28715895087965D-01 0.26006388252085D-05
|
|
3 2 3 1 0.10158066463053D+01 0.18655204753753D-05
|
|
1 1 1 2 -0.32387160388673D+01 -0.79779914078705D-06
|
|
2 1 1 2 -0.93338258720083D+00 -0.26649950117364D-05
|
|
3 1 1 2 -0.62343986486497D+00 -0.32835195289152D-05
|
|
1 2 1 2 -0.27948873891370D+02 0.41633367838520D-15
|
|
2 2 1 2 -0.28285889233987D+02 -0.25758908642742D-05
|
|
3 2 1 2 -0.18795548429901D+02 -0.10386698182994D-05
|
|
1 1 2 2 -0.16484187092080D+01 -0.23030466116288D-05
|
|
2 1 2 2 -0.10172465975613D+01 0.10844593436180D-05
|
|
3 1 2 2 -0.28715895087964D-01 -0.26006388260134D-05
|
|
1 2 2 2 -0.28285889233987D+02 0.25758908646489D-05
|
|
2 2 2 2 -0.37234263667959D+02 0.41286415341048D-15
|
|
3 2 2 2 -0.21911328444683D+02 -0.18070666105160D-06
|
|
1 1 3 2 -0.95103161685877D+00 -0.16995660659924D-05
|
|
2 1 3 2 0.25187948555116D+00 0.94013169765162D-06
|
|
3 1 3 2 0.10158066463053D+01 -0.18655204756424D-05
|
|
1 2 3 2 -0.18795548429901D+02 0.10386698184799D-05
|
|
2 2 3 2 -0.21911328444683D+02 0.18070666109323D-06
|
|
3 2 3 2 -0.21782204827153D+02 0.43368122416488D-16
|
|
Band: 4
|
|
1 1 1 1 -0.18289225520976D+02 -0.13877783258321D-16
|
|
2 1 1 1 0.28672023492961D+01 -0.50394393843894D-05
|
|
3 1 1 1 -0.57093483710681D+01 0.25025770218657D-06
|
|
1 2 1 1 0.24182594030626D+01 -0.15411478833995D-05
|
|
2 2 1 1 0.24519912145569D+00 -0.50172370291912D-06
|
|
3 2 1 1 0.18474636961004D+00 0.23723676611635D-05
|
|
1 1 2 1 0.28672023492961D+01 0.50394393850416D-05
|
|
2 1 2 1 -0.14599749951035D+02 0.25254858077010D-22
|
|
3 1 2 1 -0.38364455140247D+01 0.27130038272122D-06
|
|
1 2 2 1 0.10267710630362D+01 0.48726800203078D-05
|
|
2 2 2 1 -0.29257622744533D+00 -0.32363768601088D-06
|
|
3 2 2 1 -0.68289995693163D+00 0.74548046919803D-06
|
|
1 1 3 1 -0.57093483710681D+01 -0.25025770252658D-06
|
|
2 1 3 1 -0.38364455140248D+01 -0.27130038213141D-06
|
|
3 1 3 1 -0.11522683525445D+02 0.22898351934690D-15
|
|
1 2 3 1 0.38528706117318D+00 -0.71344983229365D-06
|
|
2 2 3 1 -0.85009243977258D+00 -0.84105656723248D-06
|
|
3 2 3 1 0.10961420597788D+01 0.13090704393952D-06
|
|
1 1 1 2 0.24182594030626D+01 0.15411478841090D-05
|
|
2 1 1 2 0.10267710630362D+01 -0.48726800208630D-05
|
|
3 1 1 2 0.38528706117318D+00 0.71344983322346D-06
|
|
1 2 1 2 -0.18127877873133D+02 0.32526062031279D-15
|
|
2 2 1 2 0.21212702718709D+01 0.73349699126428D-06
|
|
3 2 1 2 -0.58719545292091D+01 0.27140911540218D-05
|
|
1 1 2 2 0.24519912145569D+00 0.50172370400159D-06
|
|
2 1 2 2 -0.29257622744533D+00 0.32363768492841D-06
|
|
3 1 2 2 -0.85009243977258D+00 0.84105656727411D-06
|
|
1 2 2 2 0.21212702718709D+01 -0.73349699098673D-06
|
|
2 2 2 2 -0.14946847353670D+02 -0.17867647757212D-15
|
|
3 2 2 2 -0.41018710350372D+01 0.86472569251862D-06
|
|
1 1 3 2 0.18474636961004D+00 -0.23723676613786D-05
|
|
2 1 3 2 -0.68289995693163D+00 -0.74548046930905D-06
|
|
3 1 3 2 0.10961420597788D+01 -0.13090704473749D-06
|
|
1 2 3 2 -0.58719545292091D+01 -0.27140911540635D-05
|
|
2 2 3 2 -0.41018710350372D+01 -0.86472569196351D-06
|
|
3 2 3 2 -0.11645180558403D+02 0.76327807196983D-16
|
|
Band: 5
|
|
1 1 1 1 -0.13338873200011D+02 0.14623717430103D-14
|
|
2 1 1 1 0.82748035036252D+01 -0.13276405352794D-05
|
|
3 1 1 1 0.98078728809098D+00 0.53652161411919D-05
|
|
1 2 1 1 -0.16128091744435D+02 0.26722630446899D-06
|
|
2 2 1 1 -0.83785944523963D+01 0.55078941611179D-05
|
|
3 2 1 1 -0.86831220901507D+01 0.41929560117664D-05
|
|
1 1 2 1 0.82748035036252D+01 0.13276405349325D-05
|
|
2 1 2 1 -0.12427309625118D+02 -0.49266115688129D-15
|
|
3 1 2 1 -0.47510121626476D-01 0.29732083063840D-05
|
|
1 2 2 1 -0.95684928826330D+01 0.66197129018860D-05
|
|
2 2 2 1 -0.33206113742165D+01 0.59407685035646D-05
|
|
3 2 2 1 -0.46765016737233D+01 0.47373323604181D-05
|
|
1 1 3 1 0.98078728809098D+00 -0.53652161438321D-05
|
|
2 1 3 1 -0.47510121626475D-01 -0.29732083055947D-05
|
|
3 1 3 1 -0.66587481371669D+01 -0.28102512064868D-15
|
|
1 2 3 1 -0.86866485615746D+01 0.56553877160733D-05
|
|
2 2 3 1 -0.41233244534918D+01 0.76394327532624D-05
|
|
3 2 3 1 -0.65252622406102D+01 0.60621017157142D-05
|
|
1 1 1 2 -0.16128091744435D+02 -0.26722630398327D-06
|
|
2 1 1 2 -0.95684928826330D+01 -0.66197129013465D-05
|
|
3 1 1 2 -0.86866485615746D+01 -0.56553877145173D-05
|
|
1 2 1 2 -0.13288233598039D+02 0.66613383103436D-15
|
|
2 2 1 2 0.94880542686898D+01 -0.40289139394907D-05
|
|
3 2 1 2 0.16128952739563D+01 -0.30615733745568D-06
|
|
1 1 2 2 -0.83785944523963D+01 -0.55078941606183D-05
|
|
2 1 2 2 -0.33206113742165D+01 -0.59407685024683D-05
|
|
3 1 2 2 -0.41233244534918D+01 -0.76394327538869D-05
|
|
1 2 2 2 0.94880542686897D+01 0.40289139391264D-05
|
|
2 2 2 2 -0.11626046850334D+02 -0.31918913838517D-15
|
|
3 2 2 2 0.71963186825983D+00 0.22229691422637D-05
|
|
1 1 3 2 -0.86831220901507D+01 -0.41929560118358D-05
|
|
2 1 3 2 -0.46765016737233D+01 -0.47373323598352D-05
|
|
3 1 3 2 -0.65252622406102D+01 -0.60621017163387D-05
|
|
1 2 3 2 0.16128952739563D+01 0.30615733792753D-06
|
|
2 2 3 2 0.71963186825984D+00 -0.22229691418352D-05
|
|
3 2 3 2 -0.60042588053615D+01 0.30531133425346D-15
|
|
Band: 6
|
|
1 1 1 1 -0.28575114931827D+02 0.52735588623893D-15
|
|
2 1 1 1 -0.17991518398995D+02 0.14617625075648D-05
|
|
3 1 1 1 -0.15657989687864D+02 0.65619067556343D-07
|
|
1 2 1 1 -0.16525936067704D+01 -0.99504707386839D-07
|
|
2 2 1 1 -0.79333305372585D+01 -0.25962485670573D-05
|
|
3 2 1 1 -0.30103229935894D+01 -0.45005312925512D-06
|
|
1 1 2 1 -0.17991518398995D+02 -0.14617625075925D-05
|
|
2 1 2 1 -0.62659107856135D+01 -0.10824671511211D-14
|
|
3 1 2 1 -0.92989490692086D+01 -0.36399869568570D-05
|
|
1 2 2 1 -0.89377852690576D+01 0.17134495124526D-05
|
|
2 2 2 1 -0.31497579378634D+02 -0.57868473610449D-05
|
|
3 2 2 1 -0.13082564597489D+02 -0.13403375643495D-05
|
|
1 1 3 1 -0.15657989687864D+02 -0.65619066780055D-07
|
|
2 1 3 1 -0.92989490692086D+01 0.36399869569286D-05
|
|
3 1 3 1 -0.16216946272929D+02 0.41633362700307D-15
|
|
1 2 3 1 -0.34620584161882D+01 0.49057274597953D-07
|
|
2 2 3 1 -0.12935801214633D+02 -0.51560470246945D-05
|
|
3 2 3 1 -0.56609883332627D+01 -0.14162256641066D-05
|
|
1 1 1 2 -0.16525936067704D+01 0.99504706082327D-07
|
|
2 1 1 2 -0.89377852690576D+01 -0.17134495136738D-05
|
|
3 1 1 2 -0.34620584161882D+01 -0.49057275826137D-07
|
|
1 2 1 2 -0.28452039624923D+02 0.94368961932145D-15
|
|
2 2 1 2 -0.18797855003543D+02 0.17868936195704D-05
|
|
3 2 1 2 -0.16000970564934D+02 0.80272385903423D-06
|
|
1 1 2 2 -0.79333305372585D+01 0.25962485659054D-05
|
|
2 1 2 2 -0.31497579378634D+02 0.57868473621829D-05
|
|
3 1 2 2 -0.12935801214633D+02 0.51560470261915D-05
|
|
1 2 2 2 -0.18797855003542D+02 -0.17868936194455D-05
|
|
2 2 2 2 -0.77337842679716D+01 -0.36082253706718D-15
|
|
3 2 2 2 -0.10399696351047D+02 -0.95686713541936D-06
|
|
1 1 3 2 -0.30103229935894D+01 0.45005312825592D-06
|
|
2 1 3 2 -0.13082564597489D+02 0.13403375635550D-05
|
|
3 1 3 2 -0.56609883332627D+01 0.14162256635689D-05
|
|
1 2 3 2 -0.16000970564934D+02 -0.80272385861269D-06
|
|
2 2 3 2 -0.10399696351047D+02 0.95686713546100D-06
|
|
3 2 3 2 -0.16842277532845D+02 -0.16479884731555D-16
|
|
Band: 7
|
|
1 1 1 1 -0.16485693475667D+02 0.97144521892532D-16
|
|
2 1 1 1 -0.94491932844341D+01 -0.47537280261469D-05
|
|
3 1 1 1 -0.74896922463769D+01 0.10520561630610D-05
|
|
1 2 1 1 -0.24594249563500D+01 -0.66816237438323D-06
|
|
2 2 1 1 0.73607933539087D+01 0.10570758257901D-05
|
|
3 2 1 1 0.23032254678344D+01 0.30372463198098D-05
|
|
1 1 2 1 -0.94491932844341D+01 0.47537280263359D-05
|
|
2 1 2 1 -0.18945134976778D+02 -0.17780920963481D-15
|
|
3 1 2 1 -0.94708754342319D+01 -0.47224014405620D-06
|
|
1 2 2 1 0.74442478429046D+01 0.66071786304163D-05
|
|
2 2 2 1 0.14805047817799D+02 -0.23064474416043D-07
|
|
3 2 2 1 0.74239347657390D+01 0.15104932935386D-05
|
|
1 1 3 1 -0.74896922463769D+01 -0.10520561621520D-05
|
|
2 1 3 1 -0.94708754342319D+01 0.47224014437452D-06
|
|
3 1 3 1 -0.87817683348921D+01 0.48572256135249D-15
|
|
1 2 3 1 0.23038314175497D+01 -0.20436211381276D-06
|
|
2 2 3 1 0.73811220502150D+01 -0.62276869943134D-06
|
|
3 2 3 1 0.25065276882098D+01 0.78327294577659D-06
|
|
1 1 1 2 -0.24594249563500D+01 0.66816237364771D-06
|
|
2 1 1 2 0.74442478429046D+01 -0.66071786303191D-05
|
|
3 1 1 2 0.23038314175497D+01 0.20436211382317D-06
|
|
1 2 1 2 -0.16533812762296D+02 0.36082253180683D-15
|
|
2 2 1 2 -0.94959678357656D+01 0.16770139827459D-05
|
|
3 2 1 2 -0.74956949496963D+01 0.28644527005137D-05
|
|
1 1 2 2 0.73607933539087D+01 -0.10570758257068D-05
|
|
2 1 2 2 0.14805047817799D+02 0.23064474277265D-07
|
|
3 1 2 2 0.73811220502150D+01 0.62276869936195D-06
|
|
1 2 2 2 -0.94959678357656D+01 -0.16770139825187D-05
|
|
2 2 2 2 -0.18945170047870D+02 -0.97144473273317D-16
|
|
3 2 2 2 -0.94742912587910D+01 -0.89369187647368D-06
|
|
1 1 3 2 0.23032254678344D+01 -0.30372463198653D-05
|
|
2 1 3 2 0.74239347657390D+01 -0.15104932937918D-05
|
|
3 1 3 2 0.25065276882098D+01 -0.78327294548863D-06
|
|
1 2 3 2 -0.74956949496963D+01 -0.28644527010688D-05
|
|
2 2 3 2 -0.94742912587910D+01 0.89369187660899D-06
|
|
3 2 3 2 -0.87874282242347D+01 -0.61062271756907D-15
|
|
Band: 8
|
|
1 1 1 1 -0.55871526434350D+01 -0.97144505348919D-16
|
|
2 1 1 1 -0.44922312041344D+01 0.18688894949528D-05
|
|
3 1 1 1 -0.35551641008851D+01 -0.56605883073143D-06
|
|
1 2 1 1 -0.31089708941857D+01 0.36672490226871D-06
|
|
2 2 1 1 0.16283047580947D+01 0.62642177514711D-06
|
|
3 2 1 1 -0.10904197674620D+01 0.26103884966984D-05
|
|
1 1 2 1 -0.44922312041344D+01 -0.18688894948938D-05
|
|
2 1 2 1 -0.84193917505635D+01 -0.53776437966909D-16
|
|
3 1 2 1 -0.47266064247600D+01 -0.44109125247351D-05
|
|
1 2 2 1 0.21925541763521D+01 0.15311866752660D-05
|
|
2 2 2 1 0.38208437629453D+01 -0.63734207245121D-06
|
|
3 2 2 1 0.24262915511379D+01 0.31022652175389D-05
|
|
1 1 3 1 -0.35551641008851D+01 0.56605883067592D-06
|
|
2 1 3 1 -0.47266064247600D+01 0.44109125253388D-05
|
|
3 1 3 1 -0.23462802747885D+02 0.11102230813129D-14
|
|
1 2 3 1 -0.13133366066605D+01 0.10401818508813D-05
|
|
2 2 3 1 0.13945668565548D+01 0.26147039619644D-05
|
|
3 2 3 1 -0.89315431755537D+01 0.53213132365704D-05
|
|
1 1 1 2 -0.31089708941857D+01 -0.36672490241442D-06
|
|
2 1 1 2 0.21925541763521D+01 -0.15311866747456D-05
|
|
3 1 1 2 -0.13133366066605D+01 -0.10401818497433D-05
|
|
1 2 1 2 -0.49930157275241D+01 0.15265565409864D-15
|
|
2 2 1 2 -0.39271520723070D+01 -0.57145941000201D-06
|
|
3 2 1 2 -0.27697367696943D+01 -0.13567005717701D-05
|
|
1 1 2 2 0.16283047580947D+01 -0.62642177484180D-06
|
|
2 1 2 2 0.38208437629453D+01 0.63734207275652D-06
|
|
3 1 2 2 0.13945668565548D+01 -0.26147039624085D-05
|
|
1 2 2 2 -0.39271520723070D+01 0.57145940988405D-06
|
|
2 2 2 2 -0.84194097597048D+01 -0.83266715974219D-16
|
|
3 2 2 2 -0.36927656315397D+01 0.19371666701669D-05
|
|
1 1 3 2 -0.10904197674620D+01 -0.26103884969343D-05
|
|
2 1 3 2 0.24262915511379D+01 -0.31022652159915D-05
|
|
3 1 3 2 -0.89315431755537D+01 -0.53213132354185D-05
|
|
1 2 3 2 -0.27697367696943D+01 0.13567005715758D-05
|
|
2 2 3 2 -0.36927656315397D+01 -0.19371666708330D-05
|
|
3 2 3 2 -0.22426769349584D+02 -0.86042287087739D-15
|
|
K-point: 5.00000000E-01 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.83552772733384D+01 0.11102236677581D-15
|
|
2 1 1 1 -0.37337139399026D+01 0.27272048184419D-05
|
|
3 1 1 1 -0.62290250483445D+01 0.16980300568027D-05
|
|
1 2 1 1 -0.11906407584241D+01 0.11530270762290D-06
|
|
2 2 1 1 0.21462501558960D+01 0.22417819178254D-06
|
|
3 2 1 1 0.34874217028187D+00 -0.26827737653210D-06
|
|
1 1 2 1 -0.37337139399026D+01 -0.27272048185113D-05
|
|
2 1 2 1 -0.74387242764652D+01 -0.83266684760135D-16
|
|
3 1 2 1 -0.37032143839551D+01 -0.88565084389347D-06
|
|
1 2 2 1 0.21541117606030D+01 0.24966971608108D-06
|
|
2 2 2 1 0.42867392527481D+01 -0.12266265150757D-06
|
|
3 2 2 1 0.21212329839705D+01 0.75358211894877D-06
|
|
1 1 3 1 -0.62290250483445D+01 -0.16980300568851D-05
|
|
2 1 3 1 -0.37032143839551D+01 0.88565084365755D-06
|
|
3 1 3 1 -0.90151628625195D+01 -0.23852442396681D-15
|
|
1 2 3 1 0.33594913508777D+00 0.19578043441922D-05
|
|
2 2 3 1 0.21243628253934D+01 0.86334247275064D-06
|
|
3 2 3 1 0.51652269243209D+00 0.15457503435618D-05
|
|
1 1 1 2 -0.11906407584241D+01 -0.11530270759515D-06
|
|
2 1 1 2 0.21541117606030D+01 -0.24966971583735D-06
|
|
3 1 1 2 0.33594913508777D+00 -0.19578043441992D-05
|
|
1 2 1 2 -0.77876012875672D+01 0.34694467513623D-15
|
|
2 2 1 2 -0.35985378368922D+01 -0.88669139712689D-06
|
|
3 2 1 2 -0.55716500045668D+01 -0.10973371723524D-05
|
|
1 1 2 2 0.21462501558960D+01 -0.22417819174178D-06
|
|
2 1 2 2 0.42867392527481D+01 0.12266265166022D-06
|
|
3 1 2 2 0.21243628253934D+01 -0.86334247275585D-06
|
|
1 2 2 2 -0.35985378368922D+01 0.88669139755190D-06
|
|
2 2 2 2 -0.71551185375809D+01 -0.41633271392286D-16
|
|
3 2 2 2 -0.35576727607516D+01 0.51657831832723D-06
|
|
1 1 3 2 0.34874217028187D+00 0.26827737668475D-06
|
|
2 1 3 2 0.21212329839705D+01 -0.75358211876142D-06
|
|
3 1 3 2 0.51652269243209D+00 -0.15457503431628D-05
|
|
1 2 3 2 -0.55716500045668D+01 0.10973371730254D-05
|
|
2 2 3 2 -0.35576727607516D+01 -0.51657831762293D-06
|
|
3 2 3 2 -0.82511598293935D+01 0.41633364801216D-15
|
|
Band: 2
|
|
1 1 1 1 -0.78284562627864D+01 0.48572261297818D-15
|
|
2 1 1 1 -0.21882010174562D+01 -0.19091007866764D-05
|
|
3 1 1 1 -0.51288127089314D+01 -0.18724459180695D-05
|
|
1 2 1 1 0.79276955372039D+00 -0.69968054983596D-06
|
|
2 2 1 1 0.98532630148833D-01 -0.74715660434171D-06
|
|
3 2 1 1 -0.50361385118537D-01 0.13968308830898D-05
|
|
1 1 2 1 -0.21882010174562D+01 0.19091007868429D-05
|
|
2 1 2 1 -0.43432733056135D+01 0.19428903344162D-15
|
|
3 1 2 1 -0.21847381268967D+01 0.64694335485977D-06
|
|
1 2 2 1 0.90672446519359D-01 0.46500469580898D-06
|
|
2 2 2 1 0.13836984387479D+00 0.23055138482156D-06
|
|
3 2 2 1 0.80869042106231D-01 0.20963502729531D-05
|
|
1 1 3 1 -0.51288127089314D+01 0.18724459189160D-05
|
|
2 1 3 1 -0.21847381268967D+01 -0.64694335473487D-06
|
|
3 1 3 1 -0.94498364011784D+01 -0.83266732579313D-15
|
|
1 2 3 1 -0.37572139807293D-01 -0.10083026339265D-05
|
|
2 2 3 1 0.77737033873266D-01 0.15565025424258D-05
|
|
3 2 3 1 0.20191269844578D+01 0.20273995556173D-05
|
|
1 1 1 2 0.79276955372039D+00 0.69968054964861D-06
|
|
2 1 1 2 0.90672446519359D-01 -0.46500469585365D-06
|
|
3 1 1 2 -0.37572139807293D-01 0.10083026343697D-05
|
|
1 2 1 2 -0.83961300804080D+01 -0.38857803855967D-15
|
|
2 2 1 2 -0.23233764293547D+01 0.68510692523131D-06
|
|
3 2 1 2 -0.57861845911930D+01 0.69404393079881D-06
|
|
1 1 2 2 0.98532630148833D-01 0.74715660501305D-06
|
|
2 1 2 2 0.13836984387479D+00 -0.23055138477299D-06
|
|
3 1 2 2 0.77737033873266D-01 -0.15565025419835D-05
|
|
1 2 2 2 -0.23233764293547D+01 -0.68510692482062D-06
|
|
2 2 2 2 -0.46268772707583D+01 0.32959746458948D-16
|
|
3 2 2 2 -0.23302751978736D+01 0.10449207534486D-05
|
|
1 1 3 2 -0.50361385118537D-01 -0.13968308831054D-05
|
|
2 1 3 2 0.80869042106231D-01 -0.20963502729575D-05
|
|
3 1 3 2 0.20191269844578D+01 -0.20273995551542D-05
|
|
1 2 3 2 -0.57861845911930D+01 -0.69404393131619D-06
|
|
2 2 3 2 -0.23302751978736D+01 -0.10449207532196D-05
|
|
3 2 3 2 -0.10213834879853D+02 0.10928759472882D-15
|
|
Band: 3
|
|
1 1 1 1 -0.18963068822399D+01 -0.27148462470768D-15
|
|
2 1 1 1 -0.12611304659239D+02 0.17830634816932D-04
|
|
3 1 1 1 -0.24868089711780D+01 0.11281053803758D-04
|
|
1 2 1 1 -0.17053199956688D+02 0.38668377390147D-05
|
|
2 2 1 1 -0.47730749941120D+01 0.15264592919152D-05
|
|
3 2 1 1 -0.76406826490410D+01 0.94313224878459D-06
|
|
1 1 2 1 -0.12611304659239D+02 -0.17830634817610D-04
|
|
2 1 2 1 -0.34900905641892D+02 0.13878109857338D-16
|
|
3 1 2 1 -0.13838466219327D+02 -0.42661935445232D-05
|
|
1 2 2 1 -0.53502846111360D+01 0.17472916744051D-04
|
|
2 2 2 1 0.50153922984707D+00 0.63633592241552D-05
|
|
3 2 2 1 -0.21703901812855D+01 0.94741170840770D-05
|
|
1 1 3 1 -0.24868089711780D+01 -0.11281053803527D-04
|
|
2 1 3 1 -0.13838466219327D+02 0.42661935444816D-05
|
|
3 1 3 1 -0.10815400550434D+02 0.22204499640684D-15
|
|
1 2 3 1 -0.80822634564348D+01 0.14665298182604D-04
|
|
2 2 3 1 -0.21308002955348D+01 0.59456501462489D-05
|
|
3 2 3 1 -0.34359705129422D+01 0.77209326905899D-05
|
|
1 1 1 2 -0.17053199956688D+02 -0.38668377389202D-05
|
|
2 1 1 2 -0.53502846111360D+01 -0.17472916744106D-04
|
|
3 1 1 2 -0.80822634564348D+01 -0.14665298184128D-04
|
|
1 2 1 2 0.52791153378904D+00 -0.18735007957080D-15
|
|
2 2 1 2 -0.11593001562962D+02 -0.51093927195127D-06
|
|
3 2 1 2 -0.27717855430848D+01 -0.73905912114076D-06
|
|
1 1 2 2 -0.47730749941120D+01 -0.15264592916359D-05
|
|
2 1 2 2 0.50153922984707D+00 -0.63633592247381D-05
|
|
3 1 2 2 -0.21308002955348D+01 -0.59456501461101D-05
|
|
1 2 2 2 -0.11593001562962D+02 0.51093927185412D-06
|
|
2 2 2 2 -0.35459769645843D+02 -0.16930900774810D-14
|
|
3 2 2 2 -0.16495857342907D+02 -0.29936736616136D-06
|
|
1 1 3 2 -0.76406826490410D+01 -0.94313224957910D-06
|
|
2 1 3 2 -0.21703901812855D+01 -0.94741170841810D-05
|
|
3 1 3 2 -0.34359705129422D+01 -0.77209326915960D-05
|
|
1 2 3 2 -0.27717855430848D+01 0.73905912100892D-06
|
|
2 2 3 2 -0.16495857342907D+02 0.29936736457929D-06
|
|
3 2 3 2 -0.13233615732760D+02 -0.44408916721472D-15
|
|
Band: 4
|
|
1 1 1 1 -0.15878189237046D+02 0.69389021550338D-16
|
|
2 1 1 1 -0.54898559318353D+01 0.38742264011334D-05
|
|
3 1 1 1 -0.91898977171817D+00 0.44129828469263D-05
|
|
1 2 1 1 -0.28609728971169D+01 0.23601147374460D-05
|
|
2 2 1 1 -0.23404828172281D+00 0.36771092481413D-05
|
|
3 2 1 1 0.15059719594269D+01 -0.59950522159315D-06
|
|
1 1 2 1 -0.54898559318353D+01 -0.38742264012787D-05
|
|
2 1 2 1 -0.99087053814130D+01 -0.41633292818247D-16
|
|
3 1 2 1 -0.63582205852507D+01 0.12655330988593D-05
|
|
1 2 2 1 0.34317552065023D+00 -0.11086930491577D-05
|
|
2 2 2 1 0.24595133273505D+01 -0.22089820390207D-05
|
|
3 2 2 1 0.10491024477296D+01 -0.50896910062365D-05
|
|
1 1 3 1 -0.91898977171817D+00 -0.44129828462220D-05
|
|
2 1 3 1 -0.63582205852507D+01 -0.12655330985895D-05
|
|
3 1 3 1 -0.16856950908552D+02 0.43671654888438D-15
|
|
1 2 3 1 0.19475550558868D+01 0.28508057301844D-05
|
|
2 2 3 1 0.10095095995272D+01 -0.57832502565910D-06
|
|
3 2 3 1 0.94432294300046D+00 -0.40932787445192D-05
|
|
1 1 1 2 -0.28609728971169D+01 -0.23601147366688D-05
|
|
2 1 1 2 0.34317552065023D+00 0.11086930490284D-05
|
|
3 1 1 2 0.19475550558868D+01 -0.28508057301428D-05
|
|
1 2 1 2 -0.18302363899670D+02 0.19984014075157D-14
|
|
2 2 1 2 -0.65081376137111D+01 -0.53701915239295D-06
|
|
3 2 1 2 -0.63400369473423D+00 -0.18868454935687D-06
|
|
1 1 2 2 -0.23404828172281D+00 -0.36771092482697D-05
|
|
2 1 2 2 0.24595133273505D+01 0.22089820382644D-05
|
|
3 1 2 2 0.10095095995272D+01 0.57832502593666D-06
|
|
1 2 2 2 -0.65081376137111D+01 0.53701915236867D-06
|
|
2 2 2 2 -0.93498348902232D+01 -0.77715611776303D-15
|
|
3 2 2 2 -0.37008250368781D+01 -0.29035312607277D-05
|
|
1 1 3 2 0.15059719594269D+01 0.59950522232520D-06
|
|
2 1 3 2 0.10491024477296D+01 0.50896910068784D-05
|
|
3 1 3 2 0.94432294300046D+00 0.40932787447482D-05
|
|
1 2 3 2 -0.63400369473423D+00 0.18868454903768D-06
|
|
2 2 3 2 -0.37008250368781D+01 0.29035312604502D-05
|
|
3 2 3 2 -0.14438731683183D+02 0.22204463996873D-15
|
|
Band: 5
|
|
1 1 1 1 -0.38897085067027D+01 -0.29143355326989D-15
|
|
2 1 1 1 -0.18257329946262D+01 0.96404776409156D-06
|
|
3 1 1 1 -0.28215742726265D+01 0.84738954353647D-06
|
|
1 2 1 1 0.52984204158918D-01 0.79388450138779D-06
|
|
2 2 1 1 0.39641149385912D+01 0.21163118377452D-05
|
|
3 2 1 1 0.12219755617893D+01 0.10250521906592D-05
|
|
1 1 2 1 -0.18257329946262D+01 -0.96404776443850D-06
|
|
2 1 2 1 -0.94675358438925D+01 -0.49266137767447D-15
|
|
3 1 2 1 -0.32583537140691D+01 0.12039619290036D-05
|
|
1 2 2 1 0.39950698608673D+01 0.33872554594381D-06
|
|
2 2 2 1 0.13489706189616D+02 0.28014618951823D-05
|
|
3 2 2 1 0.52906937826506D+01 0.92064438877448D-06
|
|
1 1 3 1 -0.28215742726265D+01 -0.84738954384872D-06
|
|
2 1 3 1 -0.32583537140691D+01 -0.12039619294824D-05
|
|
3 1 3 1 -0.51394537991958D+01 -0.18041109830725D-15
|
|
1 2 3 1 0.12523407286702D+01 0.19589609137622D-05
|
|
2 2 3 1 0.53334008380893D+01 0.33040480460821D-05
|
|
3 2 3 1 0.15840413813519D+01 0.13945594710350D-05
|
|
1 1 1 2 0.52984204158918D-01 -0.79388450199495D-06
|
|
2 1 1 2 0.39950698608673D+01 -0.33872554611035D-06
|
|
3 1 1 2 0.12523407286702D+01 -0.19589609135679D-05
|
|
1 2 1 2 -0.38201171005046D+01 0.69390357653823D-17
|
|
2 2 1 2 -0.18611628103930D+01 -0.86707467413739D-06
|
|
3 2 1 2 -0.26791338672036D+01 -0.23024288493227D-06
|
|
1 1 2 2 0.39641149385912D+01 -0.21163118376255D-05
|
|
2 1 2 2 0.13489706189616D+02 -0.28014618950297D-05
|
|
3 1 2 2 0.53334008380893D+01 -0.33040480460994D-05
|
|
1 2 2 2 -0.18611628103930D+01 0.86707467430739D-06
|
|
2 2 2 2 -0.94263892260517D+01 -0.11449180218910D-15
|
|
3 2 2 2 -0.32010731527293D+01 0.23566293241453D-06
|
|
1 1 3 2 0.12219755617893D+01 -0.10250521906939D-05
|
|
2 1 3 2 0.52906937826506D+01 -0.92064438862832D-06
|
|
3 1 3 2 0.15840413813519D+01 -0.13945594710211D-05
|
|
1 2 3 2 -0.26791338672036D+01 0.23024288450553D-06
|
|
2 2 3 2 -0.32010731527293D+01 -0.23566293207106D-06
|
|
3 2 3 2 -0.49429391986908D+01 -0.26541270632596D-15
|
|
Band: 6
|
|
1 1 1 1 -0.59305386964261D+01 -0.18474791391352D-15
|
|
2 1 1 1 -0.13304935722631D+01 0.10204384985268D-06
|
|
3 1 1 1 -0.30823874719265D+01 0.35146777771780D-05
|
|
1 2 1 1 0.15918075463964D+01 0.69892394171535D-06
|
|
2 2 1 1 0.20960718257609D+00 0.16926592129068D-05
|
|
3 2 1 1 -0.94640061027688D+00 0.12847505309872D-05
|
|
1 1 2 1 -0.13304935722631D+01 -0.10204385013891D-06
|
|
2 1 2 1 -0.33806746333838D+01 0.17087025449266D-15
|
|
3 1 2 1 -0.20474877447273D+01 0.13988772947475D-05
|
|
1 2 2 1 0.17865286385430D+00 0.28720057640294D-05
|
|
2 2 2 1 -0.37425966663853D+00 0.23122268678244D-06
|
|
3 2 2 1 -0.49747108040877D+00 -0.15395612451759D-05
|
|
1 1 3 1 -0.30823874719265D+01 -0.35146777781634D-05
|
|
2 1 3 1 -0.20474877447273D+01 -0.13988772951222D-05
|
|
3 1 3 1 -0.51993294210240D+01 -0.71123667883322D-15
|
|
1 2 3 1 -0.97676295992045D+00 0.19091072672591D-05
|
|
2 2 3 1 -0.54017781061921D+00 -0.19342077372587D-05
|
|
3 2 3 1 -0.16555205032703D+01 -0.38282040895043D-05
|
|
1 1 1 2 0.15918075463964D+01 -0.69892394211087D-06
|
|
2 1 1 2 0.17865286385430D+00 -0.28720057638143D-05
|
|
3 1 1 2 -0.97676295992045D+00 -0.19091072674083D-05
|
|
1 2 1 2 -0.60001199462323D+01 0.32265866516651D-15
|
|
2 2 1 2 -0.12950563450755D+01 -0.12834529061483D-05
|
|
3 2 1 2 -0.32248236347702D+01 -0.87846554932960D-06
|
|
1 1 2 2 0.20960718257609D+00 -0.16926592129008D-05
|
|
2 1 2 2 -0.37425966663853D+00 -0.23122268677030D-06
|
|
3 1 2 2 -0.54017781061921D+00 0.19342077373507D-05
|
|
1 2 2 2 -0.12950563450755D+01 0.12834529061847D-05
|
|
2 2 2 2 -0.34218166623793D+01 0.11709383095735D-15
|
|
3 2 2 2 -0.21047710390185D+01 -0.14494124280090D-05
|
|
1 1 3 2 -0.94640061027688D+00 -0.12847505305709D-05
|
|
2 1 3 2 -0.49747108040877D+00 0.15395612453529D-05
|
|
3 1 3 2 -0.16555205032703D+01 0.38282040901219D-05
|
|
1 2 3 2 -0.32248236347702D+01 0.87846554893409D-06
|
|
2 2 3 2 -0.21047710390185D+01 0.14494124279656D-05
|
|
3 2 3 2 -0.53958549123637D+01 -0.54817259274022D-15
|
|
Band: 7
|
|
1 1 1 1 -0.31369517992825D+02 -0.70082907466571D-15
|
|
2 1 1 1 -0.32868970475246D+02 0.73024167162032D-05
|
|
3 1 1 1 -0.12928790754739D+02 0.57486534866246D-05
|
|
1 2 1 1 -0.87256703427887D+01 0.57454670846747D-05
|
|
2 2 1 1 -0.10796938284132D+02 0.49554425374238D-05
|
|
3 2 1 1 -0.97663779018174D+01 -0.48715688404278D-05
|
|
1 1 2 1 -0.32868970475246D+02 -0.73024167185000D-05
|
|
2 1 2 1 -0.55727739146662D+02 -0.39621087448851D-14
|
|
3 1 2 1 -0.17751452934346D+02 0.28790268906893D-05
|
|
1 2 2 1 -0.11504121006792D+02 0.27275559257150D-05
|
|
2 2 2 1 -0.21304874517727D+02 -0.15064134209442D-05
|
|
3 2 2 1 -0.12294307669938D+02 -0.87441490913289D-05
|
|
1 1 3 1 -0.12928790754739D+02 -0.57486534866697D-05
|
|
2 1 3 1 -0.17751452934346D+02 -0.28790268932984D-05
|
|
3 1 3 1 -0.20229997360766D+02 0.48572687972602D-16
|
|
1 2 3 1 -0.87451679433403D+01 0.19783891363795D-05
|
|
2 2 3 1 -0.94837677691371D+01 -0.31165464472240D-05
|
|
3 2 3 1 -0.76160750270477D+01 -0.67671104702979D-05
|
|
1 1 1 2 -0.87256703427887D+01 -0.57454670846331D-05
|
|
2 1 1 2 -0.11504121006792D+02 -0.27275559273560D-05
|
|
3 1 1 2 -0.87451679433403D+01 -0.19783891371983D-05
|
|
1 2 1 2 -0.20254059865812D+02 -0.10269561885904D-14
|
|
2 2 1 2 -0.22082955569934D+02 -0.60295441310833D-05
|
|
3 2 1 2 -0.17330897848396D+02 -0.42772354046151D-05
|
|
1 1 2 2 -0.10796938284132D+02 -0.49554425436133D-05
|
|
2 1 2 2 -0.21304874517727D+02 0.15064134096199D-05
|
|
3 1 2 2 -0.94837677691371D+01 0.31165464402920D-05
|
|
1 2 2 2 -0.22082955569934D+02 0.60295441273502D-05
|
|
2 2 2 2 -0.56080417148827D+02 -0.49960034007869D-14
|
|
3 2 2 2 -0.37690290740113D+02 -0.68315991090988D-05
|
|
1 1 3 2 -0.97663779018174D+01 0.48715688387000D-05
|
|
2 1 3 2 -0.12294307669938D+02 0.87441490918215D-05
|
|
3 1 3 2 -0.76160750270477D+01 0.67671104685909D-05
|
|
1 2 3 2 -0.17330897848396D+02 0.42772354022836D-05
|
|
2 2 3 2 -0.37690290740113D+02 0.68315990993288D-05
|
|
3 2 3 2 -0.40052213770039D+02 -0.39968027826422D-14
|
|
Band: 8
|
|
1 1 1 1 -0.25937518523589D+02 -0.97144505245522D-15
|
|
2 1 1 1 -0.61357906423788D+01 -0.24629218056174D-05
|
|
3 1 1 1 0.90144945762734D+01 -0.80105162096064D-06
|
|
1 2 1 1 0.39088837508386D+01 -0.10540138756832D-05
|
|
2 2 1 1 -0.14847600877379D+01 -0.35128198119299D-05
|
|
3 2 1 1 -0.25256529416729D+01 -0.13482439171572D-04
|
|
1 1 2 1 -0.61357906423788D+01 0.24629218055688D-05
|
|
2 1 2 1 -0.22938326409126D+02 0.36082247306408D-15
|
|
3 1 2 1 -0.21378094604150D+02 0.82970093671559D-05
|
|
1 2 2 1 -0.77759020688367D+00 -0.73716512483305D-05
|
|
2 2 2 1 -0.18514672739538D+01 0.42683520954633D-06
|
|
3 2 2 1 0.42226871666116D+00 -0.58628765801363D-05
|
|
1 1 3 1 0.90144945762734D+01 0.80105162220964D-06
|
|
2 1 3 1 -0.21378094604150D+02 -0.82970093676069D-05
|
|
3 1 3 1 -0.40402832613623D+02 0.29143346027346D-15
|
|
1 2 3 1 -0.35468850287020D+01 -0.27594947343863D-05
|
|
2 2 3 1 -0.23882645829174D+01 -0.67328262835593D-05
|
|
3 2 3 1 -0.55566243855693D+01 -0.26613575787345D-04
|
|
1 1 1 2 0.39088837508386D+01 0.10540138813071D-05
|
|
2 1 1 2 -0.77759020688367D+00 0.73716512452774D-05
|
|
3 1 1 2 -0.35468850287020D+01 0.27594947268923D-05
|
|
1 2 1 2 -0.37052980969530D+02 -0.17763567479968D-14
|
|
2 2 1 2 -0.16921804219798D+02 0.38308132641323D-05
|
|
3 2 1 2 0.13416591807725D+02 0.12672398262059D-04
|
|
1 1 2 2 -0.14847600877379D+01 0.35128198151912D-05
|
|
2 1 2 2 -0.18514672739538D+01 -0.42683520796426D-06
|
|
3 1 2 2 -0.23882645829174D+01 0.67328262824074D-05
|
|
1 2 2 2 -0.16921804219798D+02 -0.38308132628416D-05
|
|
2 2 2 2 -0.22585593875619D+02 0.18873791276456D-14
|
|
3 2 2 2 -0.14392428952100D+01 -0.26085124825213D-05
|
|
1 1 3 2 -0.25256529416729D+01 0.13482439167471D-04
|
|
2 1 3 2 0.42226871666116D+00 0.58628765815796D-05
|
|
3 1 3 2 -0.55566243855693D+01 0.26613575792272D-04
|
|
1 2 3 2 0.13416591807725D+02 -0.12672398260837D-04
|
|
2 2 3 2 -0.14392428952100D+01 0.26085124839507D-05
|
|
3 2 3 2 -0.20580662413932D+02 -0.31086250503550D-14
|
|
K-point: 0.00000000E+00 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.10397792066665D+02 -0.15395776133877D-16
|
|
2 1 1 1 -0.60552712434988D+01 -0.58696769473331D-06
|
|
3 1 1 1 -0.60481046652755D+01 -0.27585399423351D-05
|
|
1 2 1 1 0.42344527583352D+01 -0.55139534369650D-06
|
|
2 2 1 1 0.37165167698506D+01 -0.30232908510001D-05
|
|
3 2 1 1 0.37352537587344D+01 -0.17066416158310D-05
|
|
1 1 2 1 -0.60552712434988D+01 0.58696769476801D-06
|
|
2 1 2 1 -0.11136371455257D+02 -0.26021382569220D-17
|
|
3 1 2 1 -0.88505073881783D+01 -0.14639236110361D-05
|
|
1 2 2 1 0.37378448115543D+01 -0.33863254550271D-05
|
|
2 2 2 1 0.31395872766054D+01 -0.39647101550965D-05
|
|
3 2 2 1 0.30556064620280D+01 -0.34613343517239D-05
|
|
1 1 3 1 -0.60481046652755D+01 0.27585399426040D-05
|
|
2 1 3 1 -0.88505073881783D+01 0.14639236118818D-05
|
|
3 1 3 1 -0.11097332115739D+02 -0.12143063944097D-15
|
|
1 2 3 1 0.37612966221278D+01 -0.28054480966163D-05
|
|
2 2 3 1 0.30569540913986D+01 -0.31728703238363D-05
|
|
3 2 3 1 0.31168979335113D+01 -0.26703390111434D-05
|
|
1 1 1 2 0.42344527583352D+01 0.55139534375548D-06
|
|
2 1 1 2 0.37378448115543D+01 0.33863254551763D-05
|
|
3 1 1 2 0.37612966221278D+01 0.28054480963995D-05
|
|
1 2 1 2 -0.10424277502149D+02 0.11102232285769D-15
|
|
2 2 1 2 -0.60557821441431D+01 0.19042803609093D-05
|
|
3 2 1 2 -0.60530955471103D+01 -0.59817284021644D-07
|
|
1 1 2 2 0.37165167698506D+01 0.30232908510799D-05
|
|
2 1 2 2 0.31395872766054D+01 0.39647101545622D-05
|
|
3 1 2 2 0.30569540913986D+01 0.31728703239265D-05
|
|
1 2 2 2 -0.60557821441431D+01 -0.19042803609388D-05
|
|
2 2 2 2 -0.10928243840722D+02 -0.12776063054823D-22
|
|
3 2 2 2 -0.86836259650514D+01 -0.12618327155372D-05
|
|
1 1 3 2 0.37352537587344D+01 0.17066416159733D-05
|
|
2 1 3 2 0.30556064620280D+01 0.34613343519841D-05
|
|
3 1 3 2 0.31168979335113D+01 0.26703390113463D-05
|
|
1 2 3 2 -0.60530955471103D+01 0.59817283993889D-07
|
|
2 2 3 2 -0.86836259650514D+01 0.12618327154817D-05
|
|
3 2 3 2 -0.10892269995421D+02 -0.11102229729264D-15
|
|
Band: 2
|
|
1 1 1 1 -0.55840171843295D+01 -0.54643780626927D-16
|
|
2 1 1 1 -0.25956292047643D+01 0.33753815392597D-06
|
|
3 1 1 1 -0.26510305744912D+01 0.24777530798802D-06
|
|
1 2 1 1 -0.16501640359551D+01 -0.33477202773358D-08
|
|
2 2 1 1 -0.19304933263526D+00 -0.54588281835426D-06
|
|
3 2 1 1 -0.14749399950060D+00 -0.38173928430281D-06
|
|
1 1 2 1 -0.25956292047643D+01 -0.33753815375944D-06
|
|
2 1 2 1 -0.89555160069504D+01 0.18041122397570D-15
|
|
3 1 2 1 -0.52714214746546D+01 0.14641991267613D-05
|
|
1 2 2 1 -0.21437427083805D+00 -0.30014917842561D-06
|
|
2 2 2 1 0.88635687409150D+00 0.23018529498381D-07
|
|
3 2 2 1 -0.13083393424142D+01 0.12523419581767D-06
|
|
1 1 3 1 -0.26510305744912D+01 -0.24777530792384D-06
|
|
2 1 3 1 -0.52714214746546D+01 -0.14641991269869D-05
|
|
3 1 3 1 -0.90130104704986D+01 -0.46837622443710D-16
|
|
1 2 3 1 -0.17353018163701D+00 0.36073726854647D-06
|
|
2 2 3 1 -0.13096845469390D+01 0.29155690561668D-07
|
|
3 2 3 1 0.94842117624370D+00 -0.55616098342770D-06
|
|
1 1 1 2 -0.16501640359551D+01 0.33477204542776D-08
|
|
2 1 1 2 -0.21437427083805D+00 0.30014917856092D-06
|
|
3 1 1 2 -0.17353018163701D+00 -0.36073726876852D-06
|
|
1 2 1 2 -0.55575466202038D+01 0.33306691692597D-15
|
|
2 2 1 2 -0.25951291240055D+01 -0.19102424245005D-06
|
|
3 2 1 2 -0.26460476908358D+01 0.56935123270303D-06
|
|
1 1 2 2 -0.19304933263526D+00 0.54588281841324D-06
|
|
2 1 2 2 0.88635687409150D+00 -0.23018529779407D-07
|
|
3 1 2 2 -0.13096845469390D+01 -0.29155690898204D-07
|
|
1 2 2 2 -0.25951291240055D+01 0.19102424274322D-06
|
|
2 2 2 2 -0.91636496478087D+01 -0.63837827298421D-15
|
|
3 2 2 2 -0.54383080436977D+01 0.70856289836029D-06
|
|
1 1 3 2 -0.14749399950060D+00 0.38173928403263D-06
|
|
2 1 3 2 -0.13083393424142D+01 -0.12523419609522D-06
|
|
3 1 3 2 0.94842117624370D+00 0.55616098319004D-06
|
|
1 2 3 2 -0.26460476908358D+01 -0.56935123228669D-06
|
|
2 2 3 2 -0.54383080436977D+01 -0.70856289836029D-06
|
|
3 2 3 2 -0.92180734618453D+01 0.66613381295271D-15
|
|
Band: 3
|
|
1 1 1 1 -0.31159919142690D+02 -0.69388951674256D-15
|
|
2 1 1 1 -0.16800214318972D+02 -0.30223034206045D-05
|
|
3 1 1 1 -0.17982185738805D+02 0.29406322448204D-05
|
|
1 2 1 1 -0.23825960342669D+00 -0.54113279496770D-06
|
|
2 2 1 1 0.43819858048041D+00 0.29024772492514D-05
|
|
3 2 1 1 -0.13391080071546D+01 0.32788463943981D-05
|
|
1 1 2 1 -0.16800214318972D+02 0.30223034193972D-05
|
|
2 1 2 1 -0.16812209100013D+02 0.11796126687065D-15
|
|
3 1 2 1 -0.11087155946042D+02 -0.21415015871553D-05
|
|
1 2 2 1 0.26584199057599D+00 0.48398255285136D-05
|
|
2 2 2 1 0.15186075858617D+01 0.26761098917010D-05
|
|
3 2 2 1 0.88384430223943D+00 -0.17676174671107D-05
|
|
1 1 3 1 -0.17982185738805D+02 -0.29406322445359D-05
|
|
2 1 3 1 -0.11087155946042D+02 0.21415015865273D-05
|
|
3 1 3 1 -0.15546494227483D+02 0.70776727129331D-15
|
|
1 2 3 1 -0.13012166432554D+01 0.16075873721978D-05
|
|
2 2 3 1 0.85708969904650D+00 0.22939021144945D-05
|
|
3 2 3 1 0.21892092972383D+01 0.77472567221604D-06
|
|
1 1 1 2 -0.23825960342669D+00 0.54113279512556D-06
|
|
2 1 1 2 0.26584199057600D+00 -0.48398255280002D-05
|
|
3 1 1 2 -0.13012166432554D+01 -0.16075873717676D-05
|
|
1 2 1 2 -0.31384751112592D+02 0.22204460293980D-14
|
|
2 2 1 2 -0.16158340894188D+02 -0.95574288668120D-06
|
|
3 2 1 2 -0.18393750902852D+02 0.93580640764855D-06
|
|
1 1 2 2 0.43819858048041D+00 -0.29024772494110D-05
|
|
2 1 2 2 0.15186075858617D+01 -0.26761098910348D-05
|
|
3 1 2 2 0.85708969904650D+00 -0.22939021149767D-05
|
|
1 2 2 2 -0.16158340894188D+02 0.95574288818000D-06
|
|
2 2 2 2 -0.16305031804391D+02 0.66613387809682D-15
|
|
3 2 2 2 -0.11179893429258D+02 0.16687119525944D-05
|
|
1 1 3 2 -0.13391080071546D+01 -0.32788463934240D-05
|
|
2 1 3 2 0.88384430223943D+00 0.17676174684499D-05
|
|
3 1 3 2 0.21892092972383D+01 -0.77472567224293D-06
|
|
1 2 3 2 -0.18393750902852D+02 -0.93580640631628D-06
|
|
2 2 3 2 -0.11179893429258D+02 -0.16687119529275D-05
|
|
3 2 3 2 -0.16023448554806D+02 -0.44408932597523D-15
|
|
Band: 4
|
|
1 1 1 1 -0.92995054729638D+01 0.52908820435124D-16
|
|
2 1 1 1 -0.86589342004398D+01 0.74496020220480D-05
|
|
3 1 1 1 -0.38944112396888D+01 0.16220747308323D-05
|
|
1 2 1 1 -0.29955101025749D+01 0.87364775719508D-06
|
|
2 2 1 1 0.39935540655984D+01 -0.33792372179536D-05
|
|
3 2 1 1 -0.99685391212747D+00 0.99213277746840D-06
|
|
1 1 2 1 -0.86589342004398D+01 -0.74496020219509D-05
|
|
2 1 2 1 -0.92883630467761D+01 0.69388791723375D-16
|
|
3 1 2 1 0.10761122672497D+00 -0.10365660105193D-04
|
|
1 2 2 1 0.41659195821550D+01 0.32583126004049D-05
|
|
2 2 2 1 -0.59508962364852D+01 -0.86166938320943D-05
|
|
3 2 2 1 0.17952258216078D+01 0.29239472506586D-05
|
|
1 1 3 1 -0.38944112396888D+01 -0.16220747307785D-05
|
|
2 1 3 1 0.10761122672497D+00 0.10365660105332D-04
|
|
3 1 3 1 -0.18194174644463D+02 -0.83266535354979D-16
|
|
1 2 3 1 -0.10347569926601D+01 0.28315444751164D-05
|
|
2 2 3 1 0.18219688820554D+01 -0.72399247546198D-05
|
|
3 2 3 1 0.24057831463968D+01 0.33734393737442D-05
|
|
1 1 1 2 -0.29955101025749D+01 -0.87364775760101D-06
|
|
2 1 1 2 0.41659195821550D+01 -0.32583126013069D-05
|
|
3 1 1 2 -0.10347569926601D+01 -0.28315444752899D-05
|
|
1 2 1 2 -0.90746528525070D+01 -0.27755652818076D-16
|
|
2 2 1 2 -0.93008032192829D+01 0.73531772995321D-06
|
|
3 2 1 2 -0.34828373086757D+01 -0.13583575938323D-05
|
|
1 1 2 2 0.39935540655984D+01 0.33792372184255D-05
|
|
2 1 2 2 -0.59508962364852D+01 0.86166938329409D-05
|
|
3 1 2 2 0.18219688820554D+01 0.72399247557022D-05
|
|
1 2 2 2 -0.93008032192829D+01 -0.73531772751072D-06
|
|
2 2 2 2 -0.97955529784041D+01 -0.44408914539823D-15
|
|
3 2 2 2 0.20034814914247D+00 0.15348441966725D-05
|
|
1 1 3 2 -0.99685391212747D+00 -0.99213277744758D-06
|
|
2 1 3 2 0.17952258216078D+01 -0.29239472509292D-05
|
|
3 1 3 2 0.24057831463968D+01 -0.33734393755622D-05
|
|
1 2 3 2 -0.34828373086757D+01 0.13583575926110D-05
|
|
2 2 3 2 0.20034814914248D+00 -0.15348441960914D-05
|
|
3 2 3 2 -0.17717224946287D+02 -0.22204463745003D-15
|
|
Band: 5
|
|
1 1 1 1 -0.11727676056900D+02 -0.44408922078436D-15
|
|
2 1 1 1 -0.44261176161188D+01 -0.51826609180634D-05
|
|
3 1 1 1 -0.56070867251750D+01 0.94707309815202D-06
|
|
1 2 1 1 -0.38631397188891D+01 -0.75699423453035D-07
|
|
2 2 1 1 -0.27690475642216D+01 0.16132756945529D-05
|
|
3 2 1 1 -0.34476093273956D+01 0.34448572680967D-05
|
|
1 1 2 1 -0.44261176161188D+01 0.51826609183409D-05
|
|
2 1 2 1 -0.66622987701255D+01 0.52735586974702D-15
|
|
3 1 2 1 -0.49767636539270D+01 0.27130656662872D-05
|
|
1 2 2 1 -0.20750904939132D+01 0.56476663825434D-05
|
|
2 2 2 1 -0.19982141381949D+01 0.27989511337538D-05
|
|
3 2 2 1 -0.19263979042362D+01 0.34381024302645D-05
|
|
1 1 3 1 -0.56070867251750D+01 -0.94707309848161D-06
|
|
2 1 3 1 -0.49767636539270D+01 -0.27130656659819D-05
|
|
3 1 3 1 -0.76724255628296D+01 -0.48572258184581D-15
|
|
1 2 3 1 -0.33094986743626D+01 0.73644852038117D-06
|
|
2 2 3 1 -0.22676596552300D+01 0.13172879115369D-05
|
|
3 2 3 1 -0.29641826278171D+01 0.22659854857032D-05
|
|
1 1 1 2 -0.38631397188891D+01 0.75699423924880D-07
|
|
2 1 1 2 -0.20750904939132D+01 -0.56476663821479D-05
|
|
3 1 1 2 -0.33094986743626D+01 -0.73644852011749D-06
|
|
1 2 1 2 -0.11282396115729D+02 0.14571679628048D-15
|
|
2 2 1 2 -0.48210321257541D+01 0.79257867659468D-06
|
|
3 2 1 2 -0.54271869927330D+01 0.29289519628559D-05
|
|
1 1 2 2 -0.27690475642216D+01 -0.16132756943933D-05
|
|
2 1 2 2 -0.19982141381949D+01 -0.27989511335040D-05
|
|
3 1 2 2 -0.22676596552300D+01 -0.13172879109818D-05
|
|
1 2 2 2 -0.48210321257541D+01 -0.79257867737878D-06
|
|
2 2 2 2 -0.61291300945139D+01 -0.27755573735934D-15
|
|
3 2 2 2 -0.46569665635778D+01 0.69817058126522D-06
|
|
1 1 3 2 -0.34476093273956D+01 -0.34448572680412D-05
|
|
2 1 3 2 -0.19263979042362D+01 -0.34381024302367D-05
|
|
3 1 3 2 -0.29641826278171D+01 -0.22659854856512D-05
|
|
1 2 3 2 -0.54271869927330D+01 -0.29289519636955D-05
|
|
2 2 3 2 -0.46569665635778D+01 -0.69817058154277D-06
|
|
3 2 3 2 -0.67339086631911D+01 0.12490001706485D-15
|
|
Band: 6
|
|
1 1 1 1 -0.40116227476722D+01 -0.81531957669181D-16
|
|
2 1 1 1 -0.14092927092134D+00 -0.20477486319010D-05
|
|
3 1 1 1 -0.15202374890655D+01 -0.12516865045212D-05
|
|
1 2 1 1 -0.59328854173303D-01 -0.54134525506307D-06
|
|
2 2 1 1 -0.16600873065184D+01 0.12449557920164D-05
|
|
3 2 1 1 -0.19748543740252D+00 -0.66992158957139D-06
|
|
1 1 2 1 -0.14092927092134D+00 0.20477486313806D-05
|
|
2 1 2 1 -0.12289657614822D+02 0.18041130245446D-15
|
|
3 1 2 1 0.67494605631149D+00 0.36576996413295D-05
|
|
1 2 2 1 -0.23540551990569D+01 -0.23796502000331D-05
|
|
2 2 2 1 0.89815318910644D+01 0.46092147275848D-05
|
|
3 2 2 1 -0.61441244224357D+01 0.11400550794601D-05
|
|
1 1 3 1 -0.15202374890655D+01 0.12516865039566D-05
|
|
2 1 3 1 0.67494605631148D+00 -0.36576996408160D-05
|
|
3 1 3 1 -0.85133777553231D+01 0.31918913185819D-15
|
|
1 2 3 1 -0.33560151051069D+00 -0.15809978906788D-05
|
|
2 2 3 1 -0.58028607851426D+01 0.30918498744240D-05
|
|
3 2 3 1 0.52185924567392D+01 -0.17881182165167D-06
|
|
1 1 1 2 -0.59328854173303D-01 0.54134525521226D-06
|
|
2 1 1 2 -0.23540551990569D+01 0.23796502000140D-05
|
|
3 1 1 2 -0.33560151051069D+00 0.15809978906927D-05
|
|
1 2 1 2 -0.44568989332159D+01 0.10755287499777D-15
|
|
2 2 1 2 0.25399621336620D+00 0.21804590790202D-06
|
|
3 2 1 2 -0.17001304389008D+01 -0.11722413693305D-06
|
|
1 1 2 2 -0.16600873065184D+01 -0.12449557924328D-05
|
|
2 1 2 2 0.89815318910644D+01 -0.46092147280844D-05
|
|
3 1 2 2 -0.58028607851426D+01 -0.30918498740493D-05
|
|
1 2 2 2 0.25399621336621D+00 -0.21804590806162D-06
|
|
2 2 2 2 -0.12822812192651D+02 0.11102238244700D-15
|
|
3 2 2 2 0.35515628182307D+00 -0.62384471532986D-06
|
|
1 1 3 2 -0.19748543740252D+00 0.66992158955751D-06
|
|
2 1 3 2 -0.61441244224357D+01 -0.11400550795434D-05
|
|
3 1 3 2 0.52185924567392D+01 0.17881182147125D-06
|
|
1 2 3 2 -0.17001304389008D+01 0.11722413698162D-06
|
|
2 2 3 2 0.35515628182307D+00 0.62384471506618D-06
|
|
3 2 3 2 -0.94518880754826D+01 0.38857806135884D-15
|
|
Band: 7
|
|
1 1 1 1 -0.87847588845805D+02 0.15543122420749D-14
|
|
2 1 1 1 -0.45441901046357D+02 0.12147462145562D-05
|
|
3 1 1 1 -0.41959041337918D+02 0.61412457323273D-06
|
|
1 2 1 1 0.49240562351803D+01 -0.12910841914928D-06
|
|
2 2 1 1 -0.28878221416402D+01 -0.19778989610542D-05
|
|
3 2 1 1 -0.28351824817372D+01 -0.17610409810851D-05
|
|
1 1 2 1 -0.45441901046357D+02 -0.12147462161868D-05
|
|
2 1 2 1 -0.33112183399941D+02 -0.14294123073663D-14
|
|
3 1 2 1 -0.20290268805187D+02 0.15748913702887D-05
|
|
1 2 2 1 -0.26577642008476D+01 -0.74018694381368D-07
|
|
2 2 2 1 -0.51846716983643D+01 -0.12023057660488D-05
|
|
3 2 2 1 -0.44298656884400D+01 0.84892398693879D-06
|
|
1 1 3 1 -0.41959041337918D+02 -0.61412457240006D-06
|
|
2 1 3 1 -0.20290268805187D+02 -0.15748913723357D-05
|
|
3 1 3 1 -0.28310206784012D+02 -0.37470013199328D-15
|
|
1 2 3 1 -0.30846660213895D+01 0.38390529271418D-06
|
|
2 2 3 1 -0.50676200862004D+01 -0.32255627675119D-05
|
|
3 2 3 1 -0.50622776466585D+01 -0.18135891870860D-05
|
|
1 1 1 2 0.49240562351803D+01 0.12910843558058D-06
|
|
2 1 1 2 -0.26577642008476D+01 0.74018683251382D-07
|
|
3 1 1 2 -0.30846660213895D+01 -0.38390528863411D-06
|
|
1 2 1 2 -0.87878551530014D+02 -0.53290704801504D-14
|
|
2 2 1 2 -0.41750483267994D+02 0.14712910787237D-05
|
|
3 2 1 2 -0.45614057912354D+02 0.11154321357508D-05
|
|
1 1 2 2 -0.28878221416402D+01 0.19778989593473D-05
|
|
2 1 2 2 -0.51846716983643D+01 0.12023057549396D-05
|
|
3 1 2 2 -0.50676200862004D+01 0.32255627631265D-05
|
|
1 2 2 2 -0.41750483267994D+02 -0.14712910691758D-05
|
|
2 2 2 2 -0.28407901298719D+02 0.47184477584067D-14
|
|
3 2 2 2 -0.20327245825862D+02 -0.59030313818852D-06
|
|
1 1 3 2 -0.28351824817372D+01 0.17610409873388D-05
|
|
2 1 3 2 -0.44298656884400D+01 -0.84892399504342D-06
|
|
3 1 3 2 -0.50622776466585D+01 0.18135891819165D-05
|
|
1 2 3 2 -0.45614057912354D+02 -0.11154321295336D-05
|
|
2 2 3 2 -0.20327245825862D+02 0.59030314596008D-06
|
|
3 2 3 2 -0.32976669815277D+02 0.35527136606025D-14
|
|
Band: 8
|
|
1 1 1 1 -0.22084205312345D+02 -0.24633073461945D-15
|
|
2 1 1 1 -0.11487215965388D+02 -0.17035389458991D-05
|
|
3 1 1 1 -0.14804592730185D+02 -0.31602486544614D-05
|
|
1 2 1 1 0.20846190603378D+01 -0.10069071133318D-05
|
|
2 2 1 1 0.20071180213917D+01 -0.19056408975501D-05
|
|
3 2 1 1 0.14104581891330D+01 -0.77491193351042D-06
|
|
1 1 2 1 -0.11487215965388D+02 0.17035389456909D-05
|
|
2 1 2 1 -0.27084529883915D+02 -0.15543123186796D-14
|
|
3 1 2 1 -0.20956748545567D+01 0.16899218018535D-05
|
|
1 2 2 1 0.17770624106139D+01 -0.35980099657313D-05
|
|
2 2 2 1 -0.85079382283026D+01 0.18089714791913D-06
|
|
3 2 2 1 0.42197692033910D+01 -0.56718066599505D-06
|
|
1 1 3 1 -0.14804592730185D+02 0.31602486546279D-05
|
|
2 1 3 1 -0.20956748545567D+01 -0.16899218008681D-05
|
|
3 1 3 1 -0.32427321757868D+02 0.20261570440233D-14
|
|
1 2 3 1 0.16599476805486D+01 -0.28251813161551D-05
|
|
2 2 3 1 0.48575258760064D+01 0.11971751556706D-05
|
|
3 2 3 1 -0.78492483471274D+01 -0.69675935343149D-06
|
|
1 1 1 2 0.20846190603378D+01 0.10069071145392D-05
|
|
2 1 1 2 0.17770624106139D+01 0.35980099616512D-05
|
|
3 1 1 2 0.16599476805486D+01 0.28251813216784D-05
|
|
1 2 1 2 -0.22053255974356D+02 -0.55511152260387D-15
|
|
2 2 1 2 -0.15178641264842D+02 0.78679467943149D-06
|
|
3 2 1 2 -0.11149580493854D+02 0.70626835734400D-06
|
|
1 1 2 2 0.20071180213917D+01 0.19056408980220D-05
|
|
2 1 2 2 -0.85079382283026D+01 -0.18089714864078D-06
|
|
3 1 2 2 0.48575258760064D+01 -0.11971751566976D-05
|
|
1 2 2 2 -0.15178641264842D+02 -0.78679468520465D-06
|
|
2 2 2 2 -0.31788807725096D+02 0.44408920862706D-14
|
|
3 2 2 2 -0.20586957221181D+01 0.12384386267481D-05
|
|
1 1 3 2 0.14104581891330D+01 0.77491193775702D-06
|
|
2 1 3 2 0.42197692033910D+01 0.56718067203189D-06
|
|
3 1 3 2 -0.78492483471274D+01 0.69675935345925D-06
|
|
1 2 3 2 -0.11149580493854D+02 -0.70626835179289D-06
|
|
2 2 3 2 -0.20586957221181D+01 -0.12384386238615D-05
|
|
3 2 3 2 -0.27760850633337D+02 -0.35527137020133D-14
|
|
K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.15427328395334D+02 0.18048812690555D-15
|
|
2 1 1 1 -0.94575989474178D+00 0.65362104814785D-04
|
|
3 1 1 1 -0.94393240322043D+00 -0.49868536367528D-04
|
|
1 2 1 1 -0.11167930449593D+02 0.14162656050902D-05
|
|
2 2 1 1 0.97587160516547D+00 0.38249892652675D-04
|
|
3 2 1 1 0.97356685278698D+00 -0.59012450857712D-04
|
|
1 1 2 1 -0.94575989474178D+00 -0.65362104814550D-04
|
|
2 1 2 1 -0.51467917370701D+01 0.63929100944247D-15
|
|
3 1 2 1 -0.32113055850318D+01 -0.45691026707815D-04
|
|
1 2 2 1 0.96628132040326D+00 0.13228216053136D-04
|
|
2 2 2 1 0.87369513665812D+00 0.52620475262715D-04
|
|
3 2 2 1 -0.21258336007773D+00 0.13339618039788D-05
|
|
1 1 3 1 -0.94393240322044D+00 0.49868536367410D-04
|
|
2 1 3 1 -0.32113055850318D+01 0.45691026708365D-04
|
|
3 1 3 1 -0.51482320763601D+01 -0.25326556726850D-15
|
|
1 2 3 1 0.96858274369400D+00 -0.43437662069608D-04
|
|
2 2 3 1 -0.21348809495677D+00 0.31324413257408D-05
|
|
3 2 3 1 0.87369470659061D+00 -0.47392491972911D-04
|
|
1 1 1 2 -0.11167930449593D+02 -0.14162656048670D-05
|
|
2 1 1 2 0.96628132040326D+00 -0.13228216053019D-04
|
|
3 1 1 2 0.96858274369400D+00 0.43437662069581D-04
|
|
1 2 1 2 -0.15440482005176D+02 0.21326078434009D-15
|
|
2 2 1 2 -0.93246708944401D+00 -0.45055714411312D-04
|
|
3 2 1 2 -0.93429579238141D+00 0.31217115412675D-04
|
|
1 1 2 2 0.97587160516547D+00 -0.38249892652795D-04
|
|
2 1 2 2 0.87369513665812D+00 -0.52620475262927D-04
|
|
3 1 2 2 -0.21348809495677D+00 -0.31324413259369D-05
|
|
1 2 2 2 -0.93246708944401D+00 0.45055714411389D-04
|
|
2 2 2 2 -0.51499267767420D+01 -0.27408675519524D-15
|
|
3 2 2 2 -0.32130039135328D+01 0.48986464395277D-04
|
|
1 1 3 2 0.97356685278698D+00 0.59012450857720D-04
|
|
2 1 3 2 -0.21258336007773D+00 -0.13339618041190D-05
|
|
3 1 3 2 0.87369470659061D+00 0.47392491972925D-04
|
|
1 2 3 2 -0.93429579238141D+00 -0.31217115412767D-04
|
|
2 2 3 2 -0.32130039135328D+01 -0.48986464395771D-04
|
|
3 2 3 2 -0.51484920109436D+01 -0.49869738598679D-15
|
|
Band: 2
|
|
1 1 1 1 -0.14846306010165D+02 -0.55519598606468D-17
|
|
2 1 1 1 -0.10933119660186D+02 -0.74398138073943D-04
|
|
3 1 1 1 -0.10931809796119D+02 0.79147173152759D-04
|
|
1 2 1 1 -0.16462956064922D+01 -0.75419197917202D-06
|
|
2 2 1 1 0.23834694043723D+00 0.74826250406974D-04
|
|
3 2 1 1 0.23882235129654D+00 -0.76306968719646D-04
|
|
1 1 2 1 -0.10933119660186D+02 0.74398138073811D-04
|
|
2 1 2 1 -0.13466806539528D+02 -0.18406107255690D-15
|
|
3 1 2 1 -0.10765131860319D+02 0.17488267834404D-03
|
|
1 2 2 1 0.23392458842401D+00 0.74654446783523D-04
|
|
2 2 2 1 0.67081788175188D+00 0.17456852357711D-03
|
|
3 2 2 1 0.74459058479010D+00 0.12301827158008D-05
|
|
1 1 3 1 -0.10931809796119D+02 -0.79147173152819D-04
|
|
2 1 3 1 -0.10765131860319D+02 -0.17488267834381D-03
|
|
3 1 3 1 -0.13464887148872D+02 -0.23097838357750D-16
|
|
1 2 3 1 0.23344907762919D+00 -0.81784829563227D-04
|
|
2 2 3 1 0.74459956347773D+00 -0.92752769043836D-05
|
|
3 2 3 1 0.67082231223462D+00 -0.17909035806397D-03
|
|
1 1 1 2 -0.16462956064922D+01 0.75419197932876D-06
|
|
2 1 1 2 0.23392458842401D+00 -0.74654446783527D-04
|
|
3 1 1 2 0.23344907762919D+00 0.81784829563677D-04
|
|
1 2 1 2 -0.14842879960159D+02 0.26018223008114D-15
|
|
2 2 1 2 -0.10926928833161D+02 0.77267991791320D-04
|
|
3 2 1 2 -0.10928243766779D+02 -0.77140595763032D-04
|
|
1 1 2 2 0.23834694043723D+00 -0.74826250408059D-04
|
|
2 1 2 2 0.67081788175188D+00 -0.17456852357784D-03
|
|
3 1 2 2 0.74459956347773D+00 0.92752769044836D-05
|
|
1 2 2 2 -0.10926928833161D+02 -0.77267991790854D-04
|
|
2 2 2 2 -0.13463604013789D+02 0.19483896213361D-15
|
|
3 2 2 2 -0.10763856596660D+02 -0.17895731013133D-03
|
|
1 1 3 2 0.23882235129654D+00 0.76306968720047D-04
|
|
2 1 3 2 0.74459058479010D+00 -0.12301827161698D-05
|
|
3 1 3 2 0.67082231223462D+00 0.17909035806302D-03
|
|
1 2 3 2 -0.10928243766779D+02 0.77140595763510D-04
|
|
2 2 3 2 -0.10763856596660D+02 0.17895731013160D-03
|
|
3 2 3 2 -0.13465543811074D+02 0.10576773040767D-15
|
|
Band: 3
|
|
1 1 1 1 -0.16589955565830D+02 0.77053959588434D-16
|
|
2 1 1 1 -0.26544773358816D+01 -0.53766576961064D-03
|
|
3 1 1 1 -0.79537706348029D+01 -0.40712488363240D-03
|
|
1 2 1 1 -0.14285783083599D+01 -0.58728248341536D-03
|
|
2 2 1 1 0.49842287670682D+01 -0.52332420828452D-03
|
|
3 2 1 1 0.12468755588524D+01 -0.61077853377075D-03
|
|
1 1 2 1 -0.26544773358815D+01 0.53766576961071D-03
|
|
2 1 2 1 -0.17042849694654D+02 0.20785711992040D-16
|
|
3 1 2 1 -0.52952826713895D+01 0.17750928880008D-03
|
|
1 2 2 1 0.50765472184640D+01 -0.53921629799288D-03
|
|
2 2 2 1 -0.17945275980476D+01 0.17732828057682D-04
|
|
3 2 2 1 0.18634803524602D+01 -0.17323801369535D-03
|
|
1 1 3 1 -0.79537706348029D+01 0.40712488363228D-03
|
|
2 1 3 1 -0.52952826713895D+01 -0.17750928879981D-03
|
|
3 1 3 1 -0.11748298346714D+02 0.39676791154080D-17
|
|
1 2 3 1 0.11831577670289D+01 -0.60851664930603D-03
|
|
2 2 3 1 0.18496799973529D+01 -0.16479359619974D-03
|
|
3 2 3 1 0.17799209276212D+00 -0.33856899268727D-03
|
|
1 1 1 2 -0.14285783083599D+01 0.58728248341473D-03
|
|
2 1 1 2 0.50765472184640D+01 0.53921629799215D-03
|
|
3 1 1 2 0.11831577670289D+01 0.60851664930568D-03
|
|
1 2 1 2 -0.16478275839741D+02 0.42962237928342D-15
|
|
2 2 1 2 -0.26958355133814D+01 0.55037079971056D-03
|
|
3 2 1 2 -0.80043328505922D+01 0.42480479472463D-03
|
|
1 1 2 2 0.49842287670682D+01 0.52332420828367D-03
|
|
2 1 2 2 -0.17945275980476D+01 -0.17732828057454D-04
|
|
3 1 2 2 0.18496799973529D+01 0.16479359619995D-03
|
|
1 2 2 2 -0.26958355133814D+01 -0.55037079971029D-03
|
|
2 2 2 2 -0.17019293966825D+02 -0.22188005127660D-15
|
|
3 2 2 2 -0.52770566992296D+01 -0.19507167594098D-03
|
|
1 1 3 2 0.12468755588524D+01 0.61077853377042D-03
|
|
2 1 3 2 0.18634803524602D+01 0.17323801369552D-03
|
|
3 1 3 2 0.17799209276212D+00 0.33856899268721D-03
|
|
1 2 3 2 -0.80043328505922D+01 -0.42480479472434D-03
|
|
2 2 3 2 -0.52770566992296D+01 0.19507167594145D-03
|
|
3 2 3 2 -0.11803799622682D+02 0.24363006364517D-16
|
|
Band: 4
|
|
1 1 1 1 -0.13266097155092D+02 -0.13879412163063D-15
|
|
2 1 1 1 -0.95945494464417D+01 0.41535629928043D-03
|
|
3 1 1 1 -0.43234816653048D+01 0.58493641709239D-03
|
|
1 2 1 1 -0.27198585603376D+01 0.58861422837704D-03
|
|
2 2 1 1 0.15804164203011D+01 0.64647654522553D-03
|
|
3 2 1 1 0.54139121169796D+01 0.48334116481638D-03
|
|
1 1 2 1 -0.95945494464417D+01 -0.41535629928061D-03
|
|
2 1 2 1 -0.12346449129701D+02 -0.85997218719459D-17
|
|
3 1 2 1 -0.22068941057105D+01 0.29554085743772D-03
|
|
1 2 2 1 0.15576797026335D+01 0.66288765214365D-03
|
|
2 2 2 1 -0.51591238157350D+00 0.43417411421745D-03
|
|
3 2 2 1 0.74957390367599D+00 0.12921303124357D-03
|
|
1 1 3 1 -0.43234816653048D+01 -0.58493641709225D-03
|
|
2 1 3 1 -0.22068941057105D+01 -0.29554085743774D-03
|
|
3 1 3 1 -0.17672094051366D+02 -0.38837920614721D-15
|
|
1 2 3 1 0.53549422663263D+01 0.51307242626867D-03
|
|
2 2 3 1 0.84157242106965D+00 0.14861770361875D-03
|
|
3 2 3 1 -0.24884506988433D+01 -0.16347559486169D-03
|
|
1 1 1 2 -0.27198585603376D+01 -0.58861422837611D-03
|
|
2 1 1 2 0.15576797026335D+01 -0.66288765214305D-03
|
|
3 1 1 2 0.53549422663263D+01 -0.51307242626864D-03
|
|
1 2 1 2 -0.13351088433136D+02 -0.54468350275611D-16
|
|
2 2 1 2 -0.95846113063198D+01 -0.41136263867048D-03
|
|
3 2 1 2 -0.42479113894583D+01 -0.58440870912839D-03
|
|
1 1 2 2 0.15804164203011D+01 -0.64647654522475D-03
|
|
2 1 2 2 -0.51591238157350D+00 -0.43417411421637D-03
|
|
3 1 2 2 0.84157242106965D+00 -0.14861770361887D-03
|
|
1 2 2 2 -0.95846113063198D+01 0.41136263867074D-03
|
|
2 2 2 2 -0.12416111228264D+02 -0.10460590681739D-15
|
|
3 2 2 2 -0.22627679706318D+01 -0.30861212637659D-03
|
|
1 1 3 2 0.54139121169796D+01 -0.48334116481685D-03
|
|
2 1 3 2 0.74957390367599D+00 -0.12921303124373D-03
|
|
3 1 3 2 -0.24884506988433D+01 0.16347559486314D-03
|
|
1 2 3 2 -0.42479113894583D+01 0.58440870912832D-03
|
|
2 2 3 2 -0.22627679706318D+01 0.30861212637671D-03
|
|
3 2 3 2 -0.17600491601885D+02 -0.41668584956164D-15
|
|
Band: 5
|
|
1 1 1 1 -0.10432437626944D+02 -0.85805077587860D-16
|
|
2 1 1 1 -0.60853324243179D+01 0.57558892725361D-01
|
|
3 1 1 1 0.46360519560606D+01 -0.10718207724142D+00
|
|
1 2 1 1 0.52629011023139D+01 -0.81587530767353D-01
|
|
2 2 1 1 0.13802559232112D+01 0.24943267080973D-01
|
|
3 2 1 1 0.22543633453374D+01 0.76227264588601D-01
|
|
1 1 2 1 -0.60853324243179D+01 -0.57558892725362D-01
|
|
2 1 2 1 -0.16582031498248D+02 -0.23486909723337D-15
|
|
3 1 2 1 0.12474104838180D+01 0.86301298903620D-01
|
|
1 2 2 1 0.34513110415514D+00 0.24831058729154D-01
|
|
2 2 2 1 0.43814965706849D+01 0.33020049360682D-01
|
|
3 2 2 1 -0.26488068592561D+01 -0.98723999877567D-01
|
|
1 1 3 1 0.46360519560606D+01 0.10718207724142D+00
|
|
2 1 3 1 0.12474104838180D+01 -0.86301298903620D-01
|
|
3 1 3 1 -0.20729581347566D+02 0.10360990663606D-14
|
|
1 2 3 1 0.20790698478724D+01 0.76076846510128D-01
|
|
2 2 3 1 -0.11296846243462D+01 -0.98876113732927D-01
|
|
3 2 3 1 0.45456302743036D+01 0.69533972298895D-01
|
|
1 1 1 2 0.52629011023139D+01 0.81587530767353D-01
|
|
2 1 1 2 0.34513110415514D+00 -0.24831058729155D-01
|
|
3 1 1 2 0.20790698478724D+01 -0.76076846510127D-01
|
|
1 2 1 2 -0.11482444928621D+02 -0.78724464277170D-16
|
|
2 2 1 2 -0.47563829941111D+01 -0.57559256549983D-01
|
|
3 2 1 2 0.42214063498623D+01 0.10703911098313D+00
|
|
1 1 2 2 0.13802559232112D+01 -0.24943267080972D-01
|
|
2 1 2 2 0.43814965706849D+01 -0.33020049360682D-01
|
|
3 1 2 2 -0.11296846243462D+01 0.98876113732926D-01
|
|
1 2 2 2 -0.47563829941111D+01 0.57559256549984D-01
|
|
2 2 2 2 -0.15741004698655D+02 -0.25295478121926D-16
|
|
3 2 2 2 0.14310840847131D+01 -0.86508791268784D-01
|
|
1 1 3 2 0.22543633453374D+01 -0.76227264588603D-01
|
|
2 1 3 2 -0.26488068592561D+01 0.98723999877567D-01
|
|
3 1 3 2 0.45456302743036D+01 -0.69533972298896D-01
|
|
1 2 3 2 0.42214063498623D+01 -0.10703911098313D+00
|
|
2 2 3 2 0.14310840847131D+01 0.86508791268782D-01
|
|
3 2 3 2 -0.21214283944207D+02 -0.37429537293218D-15
|
|
Band: 6
|
|
1 1 1 1 -0.10521625875220D+02 0.50307899800988D-16
|
|
2 1 1 1 0.75498621838326D+01 0.12660545899683D+00
|
|
3 1 1 1 -0.36651336229740D+01 -0.76992427858288D-01
|
|
1 2 1 1 0.75666149577510D+01 0.81550856186085D-01
|
|
2 2 1 1 0.29187884422521D+01 -0.11580970072157D+00
|
|
3 2 1 1 0.30478674655036D+01 0.14590286277623D-01
|
|
1 1 2 1 0.75498621838326D+01 -0.12660545899683D+00
|
|
2 1 2 1 -0.18808422759813D+02 0.22821306336863D-15
|
|
3 1 2 1 -0.12070869947273D+01 0.86549968273201D-01
|
|
1 2 2 1 0.37616963987510D+01 -0.11559240635844D+00
|
|
2 2 2 1 0.47031045314441D+01 -0.32188237077104D-01
|
|
3 2 2 1 -0.99321717670217D+00 0.98889672200001D-01
|
|
1 1 3 1 -0.36651336229740D+01 0.76992427858288D-01
|
|
2 1 3 1 -0.12070869947273D+01 -0.86549968273201D-01
|
|
3 1 3 1 -0.14656755976790D+02 0.15821288788515D-15
|
|
1 2 3 1 0.10247467545462D+01 0.14535690347132D-01
|
|
2 2 3 1 -0.15679395941991D+01 0.98749464343574D-01
|
|
3 2 3 1 0.45390873446133D+01 -0.70106390904535D-01
|
|
1 1 1 2 0.75666149577510D+01 -0.81550856186084D-01
|
|
2 1 1 2 0.37616963987510D+01 0.11559240635843D+00
|
|
3 1 1 2 0.10247467545462D+01 -0.14535690347132D-01
|
|
1 2 1 2 -0.11008493029474D+02 0.24774313393809D-15
|
|
2 2 1 2 0.61865915516203D+01 -0.12646530140770D+00
|
|
3 2 1 2 -0.22977592293352D+01 0.77019612116471D-01
|
|
1 1 2 2 0.29187884422521D+01 0.11580970072157D+00
|
|
2 1 2 2 0.47031045314441D+01 0.32188237077104D-01
|
|
3 1 2 2 -0.15679395941991D+01 -0.98749464343574D-01
|
|
1 2 2 2 0.61865915516203D+01 0.12646530140770D+00
|
|
2 2 2 2 -0.19534685028690D+02 -0.12945676408925D-14
|
|
3 2 2 2 0.83385914431435D-01 -0.86748865289069D-01
|
|
1 1 3 2 0.30478674655036D+01 -0.14590286277623D-01
|
|
2 1 3 2 -0.99321717670217D+00 -0.98889672200001D-01
|
|
3 1 3 2 0.45390873446133D+01 0.70106390904536D-01
|
|
1 2 3 2 -0.22977592293352D+01 -0.77019612116473D-01
|
|
2 2 3 2 0.83385914431435D-01 0.86748865289071D-01
|
|
3 2 3 2 -0.14065733038458D+02 0.98736814974140D-16
|
|
Band: 7
|
|
1 1 1 1 -0.45011856411054D+01 -0.38740792667539D-15
|
|
2 1 1 1 -0.10149969590062D+01 -0.52086389194730D-02
|
|
3 1 1 1 -0.98682662851150D+00 0.51619441237582D-02
|
|
1 2 1 1 0.14891082286678D+01 -0.51557550212671D-04
|
|
2 2 1 1 0.63203478028863D+00 0.52096186912292D-02
|
|
3 2 1 1 0.60358137322536D+00 -0.50973214159169D-02
|
|
1 1 2 1 -0.10149969590062D+01 0.52086389194723D-02
|
|
2 1 2 1 -0.89139063673683D+01 -0.46000067930713D-15
|
|
3 1 2 1 0.60357126644413D+00 -0.59973399971555D-02
|
|
1 2 2 1 0.68471367287312D+00 0.54901307623306D-02
|
|
2 2 2 1 0.28054035969741D+01 -0.59630971193037D-02
|
|
3 2 2 1 -0.48197162084980D+01 0.34302936322357D-03
|
|
1 1 3 1 -0.98682662851150D+00 -0.51619441237580D-02
|
|
2 1 3 1 0.60357126644413D+00 0.59973399971553D-02
|
|
3 1 3 1 -0.89488079280401D+01 -0.20012550229736D-15
|
|
1 2 3 1 0.71429404611177D+00 -0.53825506538403D-02
|
|
2 2 3 1 -0.48477141750733D+01 -0.86607419551870D-04
|
|
3 2 3 1 0.28051948491519D+01 0.55305908165612D-02
|
|
1 1 1 2 0.14891082286678D+01 0.51557550212507D-04
|
|
2 1 1 2 0.68471367287312D+00 -0.54901307623306D-02
|
|
3 1 1 2 0.71429404611177D+00 0.53825506538403D-02
|
|
1 2 1 2 -0.47098633902595D+01 -0.42954810598659D-16
|
|
2 2 1 2 -0.10803530647774D+01 0.54312739479445D-02
|
|
3 2 1 2 -0.11097251075239D+01 -0.53773901816056D-02
|
|
1 1 2 2 0.63203478028863D+00 -0.52096186912293D-02
|
|
2 1 2 2 0.28054035969741D+01 0.59630971193041D-02
|
|
3 1 2 2 -0.48477141750733D+01 0.86607419552036D-04
|
|
1 2 2 2 -0.10803530647774D+01 -0.54312739479441D-02
|
|
2 2 2 2 -0.89596093409680D+01 -0.58906840367887D-15
|
|
3 2 2 2 0.59255038897683D+00 0.54963721196219D-02
|
|
1 1 3 2 0.60358137322536D+00 0.50973214159163D-02
|
|
2 1 3 2 -0.48197162084980D+01 -0.34302936322349D-03
|
|
3 1 3 2 0.28051948491519D+01 -0.55305908165607D-02
|
|
1 2 3 2 -0.11097251075239D+01 0.53773901816053D-02
|
|
2 2 3 2 0.59255038897683D+00 -0.54963721196226D-02
|
|
3 2 3 2 -0.89242089958833D+01 -0.10011004484736D-14
|
|
Band: 8
|
|
1 1 1 1 -0.24789808160562D+02 -0.42718208315265D-15
|
|
2 1 1 1 -0.22279670984365D+02 -0.58844845842352D-01
|
|
3 1 1 1 -0.21958630064607D+02 0.58634964599487D-01
|
|
1 2 1 1 -0.63090113239563D+01 -0.94548269906049D-04
|
|
2 2 1 1 -0.55428834118151D+01 -0.58835472961246D-01
|
|
3 2 1 1 -0.52217471292520D+01 0.58724539912187D-01
|
|
1 1 2 1 -0.22279670984365D+02 0.58844845842351D-01
|
|
2 1 2 1 -0.26351423936657D+02 0.23355430760839D-15
|
|
3 1 2 1 -0.22217283603717D+02 0.25958862043718D+00
|
|
1 2 2 1 -0.52670139492818D+01 -0.58796155718026D-01
|
|
2 2 2 1 -0.54893130070348D+01 -0.25938927069510D+00
|
|
3 2 2 1 -0.74719336170112D+01 0.18064684940248D-03
|
|
1 1 3 1 -0.21958630064607D+02 -0.58634964599487D-01
|
|
2 1 3 1 -0.22217283603717D+02 -0.25958862043718D+00
|
|
3 1 3 1 -0.24934507919969D+02 0.53088573320765D-15
|
|
1 2 3 1 -0.55878987439129D+01 0.58172075757964D-01
|
|
2 2 3 1 -0.88884943197322D+01 -0.10790171288995D-02
|
|
3 2 3 1 -0.54886633934387D+01 0.25888040211714D+00
|
|
1 1 1 2 -0.63090113239563D+01 0.94548269903487D-04
|
|
2 1 1 2 -0.52670139492818D+01 0.58796155718024D-01
|
|
3 1 1 2 -0.55878987439129D+01 -0.58172075757965D-01
|
|
1 2 1 2 -0.24549295607294D+02 0.91331701216537D-15
|
|
2 2 1 2 -0.21892502854153D+02 0.58372680285520D-01
|
|
3 2 1 2 -0.22213249224896D+02 -0.58676234691600D-01
|
|
1 1 2 2 -0.55428834118151D+01 0.58835472961246D-01
|
|
2 1 2 2 -0.54893130070348D+01 0.25938927069510D+00
|
|
3 1 2 2 -0.88884943197322D+01 0.10790171289000D-02
|
|
1 2 2 2 -0.21892502854153D+02 -0.58372680285519D-01
|
|
2 2 2 2 -0.24925384440893D+02 -0.63490344827179D-15
|
|
3 2 2 2 -0.22207721644269D+02 -0.25868154720830D+00
|
|
1 1 3 2 -0.52217471292520D+01 -0.58724539912190D-01
|
|
2 1 3 2 -0.74719336170112D+01 -0.18064684940608D-03
|
|
3 1 3 2 -0.54886633934387D+01 -0.25888040211715D+00
|
|
1 2 3 2 -0.22213249224896D+02 0.58676234691599D-01
|
|
2 2 3 2 -0.22207721644269D+02 0.25868154720830D+00
|
|
3 2 3 2 -0.26340818374476D+02 -0.80364724933067D-15
|
|
|
|
2nd eigenvalue derivatives - # elements : 36
|
|
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
|
|
K-point: 0.00000000E+00 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.34284933426825D+01 -0.28189420966918D-17
|
|
2 1 1 1 -0.23653489197959D+01 -0.86467220001520D-06
|
|
3 1 1 1 -0.11077859929969D+01 0.17180135601231D-05
|
|
1 2 1 1 0.54040040924100D+00 -0.66320599872593D-06
|
|
2 2 1 1 0.11265285204059D+01 -0.10350795955838D-05
|
|
3 2 1 1 0.63077055807487D+00 -0.10180729625056D-05
|
|
1 1 2 1 -0.23653489197959D+01 0.86467219997162D-06
|
|
2 1 2 1 -0.34047105293663D+01 -0.73725609646675D-17
|
|
3 1 2 1 -0.10839974902299D+01 0.22666109036311D-05
|
|
1 2 2 1 0.11027215046659D+01 -0.17831862887767D-05
|
|
2 2 2 1 0.54040338400787D+00 -0.19633681014122D-05
|
|
3 2 2 1 0.60696143713627D+00 -0.16469259341599D-05
|
|
1 1 3 1 -0.11077859929969D+01 -0.17180135601251D-05
|
|
2 1 3 1 -0.10839974902299D+01 -0.22666109036146D-05
|
|
3 1 3 1 -0.21917853236293D+01 0.82399405708603D-17
|
|
1 2 3 1 0.60696217830111D+00 0.11541061630050D-05
|
|
2 2 3 1 0.63077168167293D+00 0.12840205488348D-05
|
|
3 2 3 1 0.12377306326567D+01 0.14627704595799D-06
|
|
1 1 1 2 0.54040040924100D+00 0.66320599874371D-06
|
|
2 1 1 2 0.11027215046659D+01 0.17831862887774D-05
|
|
3 1 1 2 0.60696217830111D+00 -0.11541061630440D-05
|
|
1 2 1 2 -0.30674408076327D+01 0.15612526069720D-16
|
|
2 2 1 2 -0.20280817457317D+01 0.42828033248948D-06
|
|
3 2 1 2 -0.10840000974423D+01 0.12165544692031D-05
|
|
1 1 2 2 0.11265285204059D+01 0.10350795955667D-05
|
|
2 1 2 2 0.54040338400787D+00 0.19633681013829D-05
|
|
3 1 2 2 0.63077168167293D+00 -0.12840205488326D-05
|
|
1 2 2 2 -0.20280817457317D+01 -0.42828033248211D-06
|
|
2 2 2 2 -0.30912284083087D+01 -0.34694907220808D-17
|
|
3 2 2 2 -0.11077883120677D+01 0.12529264480970D-05
|
|
1 1 3 2 0.63077055807487D+00 0.10180729624396D-05
|
|
2 1 3 2 0.60696143713627D+00 0.16469259341441D-05
|
|
3 1 3 2 0.12377306326567D+01 -0.14627704599182D-06
|
|
1 2 3 2 -0.10840000974423D+01 -0.12165544691615D-05
|
|
2 2 3 2 -0.11077883120677D+01 -0.12529264480660D-05
|
|
3 2 3 2 -0.21917848331780D+01 -0.95409790680606D-17
|
|
Band: 2
|
|
1 1 1 1 -0.32802738012178D+02 -0.29837246296131D-15
|
|
2 1 1 1 -0.29785516251847D+02 0.82089845026290D-06
|
|
3 1 1 1 -0.26482515651843D+02 -0.88459394523039D-06
|
|
1 2 1 1 0.23337963997696D+00 0.15857828923193D-06
|
|
2 2 1 1 0.85531753943227D-01 0.69591853040951D-06
|
|
3 2 1 1 0.37742805541451D+00 0.93220576776087D-06
|
|
1 1 2 1 -0.29785516251847D+02 -0.82089845045718D-06
|
|
2 1 2 1 -0.38459496720679D+02 -0.33306688960236D-15
|
|
3 1 2 1 -0.29106479185306D+02 -0.13585953443035D-05
|
|
1 2 2 1 0.41093835553599D+00 0.41379041910080D-06
|
|
2 2 2 1 0.24186444020088D-01 0.13732703369257D-05
|
|
3 2 2 1 0.47034649188829D+00 0.87315852299880D-06
|
|
1 1 3 1 -0.26482515651843D+02 0.88459394367261D-06
|
|
2 1 3 1 -0.29106479185306D+02 0.13585953415904D-05
|
|
3 1 3 1 -0.33246426288015D+02 -0.23869794124454D-14
|
|
1 2 3 1 0.51190911647966D+00 -0.17454248255382D-06
|
|
2 2 3 1 0.38503719264788D+00 0.11086017292609D-06
|
|
3 2 3 1 -0.20049828735462D+01 0.22022922098304D-06
|
|
1 1 1 2 0.23337963997695D+00 -0.15857828903764D-06
|
|
2 1 1 2 0.41093835553599D+00 -0.41379041729669D-06
|
|
3 1 1 2 0.51190911647965D+00 0.17454248238728D-06
|
|
1 2 1 2 -0.32975866168744D+02 0.11102230670796D-14
|
|
2 2 1 2 -0.29648601748442D+02 -0.30833795638919D-06
|
|
3 2 1 2 -0.26435028909772D+02 -0.82330865403859D-06
|
|
1 1 2 2 0.85531753943227D-01 -0.69591852891071D-06
|
|
2 1 2 2 0.24186444020089D-01 -0.13732703399788D-05
|
|
3 1 2 2 0.38503719264788D+00 -0.11086017037258D-06
|
|
1 2 2 2 -0.29648601748442D+02 0.30833795605612D-06
|
|
2 2 2 2 -0.38010639514424D+02 -0.12212452857795D-14
|
|
3 2 2 2 -0.28895422436141D+02 -0.52847450832910D-06
|
|
1 1 3 2 0.37742805541451D+00 -0.93220576917294D-06
|
|
2 1 3 2 0.47034649188829D+00 -0.87315852465025D-06
|
|
3 1 3 2 -0.20049828735462D+01 -0.22022922009486D-06
|
|
1 2 3 2 -0.26435028909772D+02 0.82330865614802D-06
|
|
2 2 3 2 -0.28895422436141D+02 0.52847450977239D-06
|
|
3 2 3 2 -0.33130382491691D+02 0.16653345499658D-14
|
|
Band: 3
|
|
1 1 1 1 -0.20289590303714D+02 0.38857786246855D-15
|
|
2 1 1 1 0.49149360939020D+01 -0.69943250732525D-06
|
|
3 1 1 1 -0.97674757597979D+01 -0.15226617772522D-05
|
|
1 2 1 1 0.28647344976506D+01 0.54414729783675D-06
|
|
2 2 1 1 0.14554526210829D+01 0.13568891178990D-05
|
|
3 2 1 1 0.38966572501343D+00 0.24994271255249D-06
|
|
1 1 2 1 0.49149360939020D+01 0.69943250714137D-06
|
|
2 1 2 1 -0.16742282945424D+02 -0.33306693106620D-15
|
|
3 1 2 1 -0.34224763544437D+01 -0.95743681866063D-06
|
|
1 2 2 1 0.14379681632136D+01 0.10866611224278D-05
|
|
2 2 2 1 0.27157164158416D+01 0.16285081715914D-05
|
|
3 2 2 1 0.42697747215198D+00 -0.30873032236348D-06
|
|
1 1 3 1 -0.97674757597979D+01 0.15226617770233D-05
|
|
2 1 3 1 -0.34224763544437D+01 0.95743681955921D-06
|
|
3 1 3 1 -0.13688926989667D+02 -0.41633365656185D-16
|
|
1 2 3 1 0.35460203250125D+00 0.97556501783145D-06
|
|
2 2 3 1 0.40285907684896D+00 0.17229800332398D-05
|
|
3 2 3 1 0.85507589071882D+00 0.23144844328470D-06
|
|
1 1 1 2 0.28647344976506D+01 -0.54414729553304D-06
|
|
2 1 1 2 0.14379681632136D+01 -0.10866611218172D-05
|
|
3 1 1 2 0.35460203250125D+00 -0.97556501825472D-06
|
|
1 2 1 2 -0.20423220658318D+02 0.24980005310719D-15
|
|
2 2 1 2 0.47444669525101D+01 -0.18218004865869D-06
|
|
3 2 1 2 -0.98002399753475D+01 -0.52662608066320D-06
|
|
1 1 2 2 0.14554526210829D+01 -0.13568891198072D-05
|
|
2 1 2 2 0.27157164158416D+01 -0.16285081755050D-05
|
|
3 1 2 2 0.40285907684896D+00 -0.17229800341488D-05
|
|
1 2 2 2 0.47444669525101D+01 0.18218004890849D-06
|
|
2 2 2 2 -0.16748129708590D+02 -0.27755581937543D-15
|
|
3 2 2 2 -0.33277477965656D+01 0.11491872394200D-06
|
|
1 1 3 2 0.38966572501343D+00 -0.24994271215004D-06
|
|
2 1 3 2 0.42697747215198D+00 0.30873032189163D-06
|
|
3 1 3 2 0.85507589071882D+00 -0.23144844325348D-06
|
|
1 2 3 2 -0.98002399753475D+01 0.52662608038738D-06
|
|
2 2 3 2 -0.33277477965656D+01 -0.11491872409205D-06
|
|
3 2 3 2 -0.13681995181117D+02 0.19428903230793D-15
|
|
Band: 4
|
|
1 1 1 1 -0.15637767462434D+02 0.16653344719972D-15
|
|
2 1 1 1 -0.86652500467152D+01 0.45049397718120D-07
|
|
3 1 1 1 -0.87117180251589D+00 -0.25486610038959D-06
|
|
1 2 1 1 -0.24721268225805D+01 -0.38974858694623D-06
|
|
2 2 1 1 -0.22844897214627D+01 -0.48958356406298D-06
|
|
3 2 1 1 -0.21719977877892D+01 0.91478365639471D-06
|
|
1 1 2 1 -0.86652500467152D+01 -0.45049397305256D-07
|
|
2 1 2 1 -0.13772793353721D+02 0.28796411588150D-15
|
|
3 1 2 1 -0.48366943963437D+01 0.82437719825153D-06
|
|
1 2 2 1 -0.23464494040475D+01 -0.36850725496959D-06
|
|
2 2 2 1 -0.21139365226772D+01 -0.10955777062757D-07
|
|
3 2 2 1 -0.20562613103323D+01 0.40872577755153D-07
|
|
1 1 3 1 -0.87117180251589D+00 0.25486610016754D-06
|
|
2 1 3 1 -0.48366943963437D+01 -0.82437719839031D-06
|
|
3 1 3 1 -0.27551446798797D+02 -0.11102232422771D-15
|
|
1 2 3 1 -0.20254672955321D+01 -0.10573347730126D-05
|
|
2 2 3 1 -0.21928340912990D+01 -0.99290461367648D-06
|
|
3 2 3 1 -0.14139544798274D+01 0.24829367725618D-06
|
|
1 1 1 2 -0.24721268225805D+01 0.38974858533641D-06
|
|
2 1 1 2 -0.23464494040475D+01 0.36850725504591D-06
|
|
3 1 1 2 -0.20254672955321D+01 0.10573347736787D-05
|
|
1 2 1 2 -0.15521375010157D+02 0.83266742027688D-16
|
|
2 2 1 2 -0.86822054870031D+01 0.15088891319523D-06
|
|
3 2 1 2 -0.10257484571230D+01 -0.23926264609866D-06
|
|
1 1 2 2 -0.22844897214627D+01 0.48958356422258D-06
|
|
2 1 2 2 -0.21139365226772D+01 0.10955775966412D-07
|
|
3 1 2 2 -0.21928340912990D+01 0.99290461398179D-06
|
|
1 2 2 2 -0.86822054870031D+01 -0.15088891296624D-06
|
|
2 2 2 2 -0.13917195011826D+02 -0.12143061448020D-15
|
|
3 2 2 2 -0.47933613893116D+01 -0.81613114856111D-06
|
|
1 1 3 2 -0.21719977877892D+01 -0.91478365550653D-06
|
|
2 1 3 2 -0.20562613103323D+01 -0.40872577627651D-07
|
|
3 1 3 2 -0.14139544798274D+01 -0.24829367697862D-06
|
|
1 2 3 2 -0.10257484571230D+01 0.23926264726440D-06
|
|
2 2 3 2 -0.47933613893116D+01 0.81613114870336D-06
|
|
3 2 3 2 -0.27465176128743D+02 -0.15681901084342D-14
|
|
Band: 5
|
|
1 1 1 1 -0.33044058588625D+02 0.11102216508854D-15
|
|
2 1 1 1 -0.22603688440099D+02 -0.36592671822926D-05
|
|
3 1 1 1 -0.24405211681740D+02 0.55452132899904D-05
|
|
1 2 1 1 0.17728940557246D+02 -0.47312800916311D-05
|
|
2 2 1 1 0.19274979360159D+02 -0.79403801768660D-05
|
|
3 2 1 1 0.24062491636408D+02 -0.46778139084123D-05
|
|
1 1 2 1 -0.22603688440099D+02 0.36592671815476D-05
|
|
2 1 2 1 -0.27595835279571D+02 -0.11102226288261D-15
|
|
3 1 2 1 -0.26278913278034D+02 0.11107392894140D-04
|
|
1 2 2 1 0.18145162656777D+02 -0.76468880154493D-05
|
|
2 2 2 1 0.16036850558407D+02 -0.10127275279601D-04
|
|
3 2 2 1 0.21636748705223D+02 -0.10203119304108D-04
|
|
1 1 3 1 -0.24405211681740D+02 -0.55452132901014D-05
|
|
2 1 3 1 -0.26278913278034D+02 -0.11107392894292D-04
|
|
3 1 3 1 -0.59800876947459D+02 -0.41633189560418D-16
|
|
1 2 3 1 0.24651055136262D+02 -0.45752736007524D-06
|
|
2 2 3 1 0.24086792395384D+02 -0.47915498116466D-05
|
|
3 2 3 1 0.33776246374975D+02 0.52682162275113D-06
|
|
1 1 1 2 0.17728940557246D+02 0.47312800904654D-05
|
|
2 1 1 2 0.18145162656777D+02 0.76468880154215D-05
|
|
3 1 1 2 0.24651055136262D+02 0.45752736124097D-06
|
|
1 2 1 2 -0.33228850314196D+02 0.45102583995491D-16
|
|
2 2 1 2 -0.23937530704521D+02 0.30377997397524D-05
|
|
3 2 1 2 -0.23556285994708D+02 -0.73962632178745D-06
|
|
1 1 2 2 0.19274979360159D+02 0.79403801766717D-05
|
|
2 1 2 2 0.16036850558407D+02 0.10127275278935D-04
|
|
3 1 2 2 0.24086792395384D+02 0.47915498117611D-05
|
|
1 2 2 2 -0.23937530704521D+02 -0.30377997394198D-05
|
|
2 2 2 2 -0.29932599925556D+02 -0.69388777274952D-16
|
|
3 2 2 2 -0.27327029771828D+02 -0.51727671510777D-05
|
|
1 1 3 2 0.24062491636408D+02 0.46778139096730D-05
|
|
2 1 3 2 0.21636748705223D+02 0.10203119304497D-04
|
|
3 1 3 2 0.33776246374975D+02 -0.52682162191846D-06
|
|
1 2 3 2 -0.23556285994708D+02 0.73962632211618D-06
|
|
2 2 3 2 -0.27327029771828D+02 0.51727671511627D-05
|
|
3 2 3 2 -0.57889800844740D+02 -0.61062270897092D-15
|
|
Band: 6
|
|
1 1 1 1 -0.21091804149315D+02 -0.33306695941551D-15
|
|
2 1 1 1 0.13636902044793D+01 -0.78764040294503D-06
|
|
3 1 1 1 -0.94767499984779D+01 -0.21378928912987D-05
|
|
1 2 1 1 -0.14118974030480D+01 0.56776290568995D-06
|
|
2 2 1 1 -0.13074098961918D+01 0.16888013545957D-05
|
|
3 2 1 1 0.53654454725156D+00 0.13848961984715D-05
|
|
1 1 2 1 0.13636902044793D+01 0.78764040304217D-06
|
|
2 1 2 1 -0.22861854106504D+02 0.83266785907098D-16
|
|
3 1 2 1 -0.65924589925835D+01 0.34364047110195D-06
|
|
1 2 2 1 -0.30793209930261D-01 -0.89882195980918D-06
|
|
2 2 2 1 0.80163679254440D+00 0.27726733803702D-06
|
|
3 2 2 1 0.36249745628743D+01 -0.70316772907720D-06
|
|
1 1 3 1 -0.94767499984779D+01 0.21378928912571D-05
|
|
2 1 3 1 -0.65924589925835D+01 -0.34364047118522D-06
|
|
3 1 3 1 -0.16393797765122D+02 0.69389048579111D-16
|
|
1 2 3 1 0.16255563743565D+01 -0.59791649608752D-06
|
|
2 2 3 1 0.27198265096644D+01 0.65070733514868D-06
|
|
3 2 3 1 0.38222142938747D+01 0.83503665274280D-06
|
|
1 1 1 2 -0.14118974030480D+01 -0.56776290779937D-06
|
|
2 1 1 2 -0.30793209930262D-01 0.89882196041981D-06
|
|
3 1 1 2 0.16255563743565D+01 0.59791649575445D-06
|
|
1 2 1 2 -0.21344568259979D+02 -0.19428905518747D-15
|
|
2 2 1 2 0.39392362245124D+00 -0.55940988288506D-06
|
|
3 2 1 2 -0.10537254152196D+02 -0.16743451360196D-05
|
|
1 1 2 2 -0.13074098961918D+01 -0.16888013543424D-05
|
|
2 1 2 2 0.80163679254440D+00 -0.27726733785661D-06
|
|
3 1 2 2 0.27198265096644D+01 -0.65070733548175D-06
|
|
1 2 2 2 0.39392362245125D+00 0.55940988309323D-06
|
|
2 2 2 2 -0.20597125558511D+02 -0.16653342792576D-15
|
|
3 2 2 2 -0.55254977826946D+01 -0.94344805431553D-06
|
|
1 1 3 2 0.53654454725156D+00 -0.13848961984369D-05
|
|
2 1 3 2 0.36249745628743D+01 0.70316772944149D-06
|
|
3 1 3 2 0.38222142938747D+01 -0.83503665334649D-06
|
|
1 2 3 2 -0.10537254152196D+02 0.16743451360751D-05
|
|
2 2 3 2 -0.55254977826946D+01 0.94344805433635D-06
|
|
3 2 3 2 -0.16255427161819D+02 0.27755568267762D-15
|
|
Band: 7
|
|
1 1 1 1 -0.38472827474768D+02 -0.27755585336516D-16
|
|
2 1 1 1 -0.32948820341694D+02 0.21304915231338D-05
|
|
3 1 1 1 -0.36183837721432D+02 -0.26380376214559D-05
|
|
1 2 1 1 0.41795823448957D+01 0.22934216372537D-05
|
|
2 2 1 1 0.60548823385720D+01 0.42597241587501D-05
|
|
3 2 1 1 0.12537164846658D+02 0.21699501758507D-05
|
|
1 1 2 1 -0.32948820341694D+02 -0.21304915233324D-05
|
|
2 1 2 1 -0.41778920320507D+02 -0.36776145147794D-15
|
|
3 1 2 1 -0.36822392381533D+02 -0.70470318964139D-05
|
|
1 2 2 1 0.54768637120543D+01 0.33249056402940D-05
|
|
2 2 2 1 0.36579416370300D+01 0.56393810167823D-05
|
|
3 2 2 1 0.11443290006794D+02 0.61572084018622D-05
|
|
1 1 3 1 -0.36183837721432D+02 0.26380376218306D-05
|
|
2 1 3 1 -0.36822392381533D+02 0.70470318971321D-05
|
|
3 1 3 1 -0.63564580349458D+02 0.58980580304478D-15
|
|
1 2 3 1 0.10428334822565D+02 0.57660745648436D-05
|
|
2 2 3 1 0.10329353637332D+02 0.10582601070040D-04
|
|
3 2 3 1 0.36242522636770D+02 -0.91439369123902D-06
|
|
1 1 1 2 0.41795823448957D+01 -0.22934216388357D-05
|
|
2 1 1 2 0.54768637120543D+01 -0.33249056422924D-05
|
|
3 1 1 2 0.10428334822565D+02 -0.57660745654681D-05
|
|
1 2 1 2 -0.36956992531495D+02 0.33306699616345D-15
|
|
2 2 1 2 -0.31998662029650D+02 -0.12321592961765D-05
|
|
3 2 1 2 -0.33540399617453D+02 0.55519990677966D-05
|
|
1 1 2 2 0.60548823385720D+01 -0.42597241585836D-05
|
|
2 1 2 2 0.36579416370300D+01 -0.56393810195579D-05
|
|
3 1 2 2 0.10329353637332D+02 -0.10582601068874D-04
|
|
1 2 2 2 -0.31998662029650D+02 0.12321592965443D-05
|
|
2 2 2 2 -0.41373043486559D+02 0.16653354255935D-15
|
|
3 2 2 2 -0.35153459556161D+02 0.99368227504996D-05
|
|
1 1 3 2 0.12537164846658D+02 -0.21699501773772D-05
|
|
2 1 3 2 0.11443290006794D+02 -0.61572084038883D-05
|
|
3 1 3 2 0.36242522636770D+02 0.91439369101698D-06
|
|
1 2 3 2 -0.33540399617453D+02 -0.55519990674357D-05
|
|
2 2 3 2 -0.35153459556161D+02 -0.99368227505066D-05
|
|
3 2 3 2 -0.61494845378060D+02 0.22204443548710D-15
|
|
Band: 8
|
|
1 1 1 1 0.92700241782370D+01 0.21510578913355D-15
|
|
2 1 1 1 -0.77020318364239D+01 -0.28875613930802D-05
|
|
3 1 1 1 0.17310878439050D+02 -0.59828657658401D-05
|
|
1 2 1 1 -0.20462017508681D+00 0.51486688495869D-05
|
|
2 2 1 1 -0.20865898780227D+02 0.71058942506345D-05
|
|
3 2 1 1 -0.21065731104295D+02 0.84162289767524D-05
|
|
1 1 2 1 -0.77020318364239D+01 0.28875613929950D-05
|
|
2 1 2 1 0.63015814463916D+01 0.41633339115986D-15
|
|
3 1 2 1 0.14342049547651D+02 0.52910265241182D-05
|
|
1 2 2 1 -0.17863070757092D+02 -0.50603654839387D-05
|
|
2 2 2 1 -0.20245181025728D+00 0.13020344117071D-05
|
|
3 2 2 1 -0.18061792603912D+02 -0.54337844436053D-05
|
|
1 1 3 1 0.17310878439050D+02 0.59828657655938D-05
|
|
2 1 3 1 0.14342049547651D+02 -0.52910265245346D-05
|
|
3 1 3 1 0.31653301398288D+02 0.13877775282195D-15
|
|
1 2 3 1 -0.18065614486961D+02 0.27362670962787D-06
|
|
2 2 3 1 -0.21066656319677D+02 0.29299708934273D-05
|
|
3 2 3 1 -0.39127894343212D+02 0.24777626044288D-05
|
|
1 1 1 2 -0.20462017508681D+00 -0.51486688499512D-05
|
|
2 1 1 2 -0.17863070757092D+02 0.50603654832448D-05
|
|
3 1 1 2 -0.18065614486961D+02 -0.27362671001645D-06
|
|
1 2 1 2 0.63169223692450D+01 0.24286160503263D-16
|
|
2 2 1 2 -0.76843544109513D+01 0.71792278412291D-06
|
|
3 2 1 2 0.14344724069635D+02 0.27967052288023D-06
|
|
1 1 2 2 -0.20865898780227D+02 -0.71058942499545D-05
|
|
2 1 2 2 -0.20245181025729D+00 -0.13020344110687D-05
|
|
3 1 2 2 -0.21066656319677D+02 -0.29299708939408D-05
|
|
1 2 2 2 -0.76843544109513D+01 -0.71792278419230D-06
|
|
2 2 2 2 0.92867201957826D+01 0.34694576110725D-16
|
|
3 2 2 2 0.17313461778066D+02 0.32520453081984D-06
|
|
1 1 3 2 -0.21065731104295D+02 -0.84162289772798D-05
|
|
2 1 3 2 -0.18061792603912D+02 0.54337844429808D-05
|
|
3 1 3 2 -0.39127894343212D+02 -0.24777626050117D-05
|
|
1 2 3 2 0.14344724069635D+02 -0.27967052265818D-06
|
|
2 2 3 2 0.17313461778066D+02 -0.32520453068107D-06
|
|
3 2 3 2 0.31653809531225D+02 -0.41633282073548D-16
|
|
K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.94291474810927D+01 -0.11709474654558D-16
|
|
2 1 1 1 -0.69725112677932D+01 -0.64260340010920D-05
|
|
3 1 1 1 -0.19629620765852D+01 0.86547329933332D-05
|
|
1 2 1 1 0.54884884265101D+01 -0.25925340846183D-05
|
|
2 2 1 1 0.52435739699036D+01 -0.63192578308826D-05
|
|
3 2 1 1 0.11076135698391D+01 -0.76970302251277D-05
|
|
1 1 2 1 -0.69725112677932D+01 0.64260340009175D-05
|
|
2 1 2 1 -0.10225551075015D+02 -0.11449173375476D-15
|
|
3 1 2 1 -0.19991823455675D+01 0.10469560930421D-04
|
|
1 2 2 1 0.52435883857240D+01 -0.77335372792506D-05
|
|
2 2 2 1 0.30664550505485D+01 -0.11390779740119D-04
|
|
3 2 2 1 0.11432985117919D+01 -0.91312983872963D-05
|
|
1 1 3 1 -0.19629620765852D+01 -0.86547329933211D-05
|
|
2 1 3 1 -0.19991823455675D+01 -0.10469560930542D-04
|
|
3 1 3 1 -0.39162278028978D+01 -0.10408327255444D-16
|
|
1 2 3 1 0.11076109116193D+01 0.85990004383821D-05
|
|
2 2 3 1 0.11432989898120D+01 0.84883123429806D-05
|
|
3 2 3 1 0.22104110468977D+01 0.27164887259800D-06
|
|
1 1 1 2 0.54884884265101D+01 0.25925340847653D-05
|
|
2 1 1 2 0.52435883857240D+01 0.77335372792783D-05
|
|
3 1 1 2 0.11076109116193D+01 -0.85990004383023D-05
|
|
1 2 1 2 -0.94291464933316D+01 -0.16263015484394D-15
|
|
2 2 1 2 -0.69724955933235D+01 0.22600595011402D-05
|
|
3 2 1 2 -0.19629672263940D+01 0.80857737576023D-05
|
|
1 1 2 2 0.52435739699036D+01 0.63192578310255D-05
|
|
2 1 2 2 0.30664550505485D+01 0.11390779740116D-04
|
|
3 1 2 2 0.11432989898120D+01 -0.84883123431021D-05
|
|
1 2 2 2 -0.69724955933235D+01 -0.22600595010587D-05
|
|
2 2 2 2 -0.10225518786748D+02 0.74593349693037D-16
|
|
3 2 2 2 -0.19991908314677D+01 0.83647142585164D-05
|
|
1 1 3 2 0.11076135698391D+01 0.76970302250315D-05
|
|
2 1 3 2 0.11432985117919D+01 0.91312983871297D-05
|
|
3 1 3 2 0.22104110468977D+01 -0.27164887258585D-06
|
|
1 2 3 2 -0.19629672263940D+01 -0.80857737573720D-05
|
|
2 2 3 2 -0.19991908314677D+01 -0.83647142584863D-05
|
|
3 2 3 2 -0.39162266059931D+01 0.38163910926467D-16
|
|
Band: 2
|
|
1 1 1 1 -0.11675737665851D+02 0.52475386179962D-15
|
|
2 1 1 1 -0.31354442807234D+01 -0.24450304656445D-05
|
|
3 1 1 1 -0.28902125881743D+01 0.32362503983287D-07
|
|
1 2 1 1 0.29682910824564D+01 0.10383732686230D-06
|
|
2 2 1 1 0.14791147586882D+01 -0.14280947588949D-05
|
|
3 2 1 1 0.65417515740292D+00 -0.70934520495610D-06
|
|
1 1 2 1 -0.31354442807234D+01 0.24450304661883D-05
|
|
2 1 2 1 -0.60401169241995D+01 0.86736202843689D-16
|
|
3 1 2 1 -0.28866905233303D+01 0.87192575170806D-06
|
|
1 2 2 1 0.14791137173749D+01 0.13127445715063D-05
|
|
2 2 2 1 0.10163482854318D+01 -0.46925005572291D-06
|
|
3 2 2 1 0.61779292444019D+00 -0.61156715369356D-06
|
|
1 1 3 1 -0.28902125881743D+01 -0.32362504071758D-07
|
|
2 1 3 1 -0.28866905233303D+01 -0.87192575162132D-06
|
|
3 1 3 1 -0.57415238476022D+01 0.69388926322862D-16
|
|
1 2 3 1 0.65416994014152D+00 0.13291900231998D-05
|
|
2 2 3 1 0.61779236858204D+00 0.69301898498067D-06
|
|
3 2 3 1 0.11694003698903D+01 0.13279961817176D-06
|
|
1 1 1 2 0.29682910824564D+01 -0.10383732643339D-06
|
|
2 1 1 2 0.14791137173749D+01 -0.13127445716342D-05
|
|
3 1 1 2 0.65416994014152D+00 -0.13291900227262D-05
|
|
1 2 1 2 -0.11675729361526D+02 0.57592825899665D-15
|
|
2 2 1 2 -0.31354389153767D+01 -0.63157432723724D-06
|
|
3 2 1 2 -0.28902077476886D+01 0.78489943284759D-07
|
|
1 1 2 2 0.14791147586882D+01 0.14280947586355D-05
|
|
2 1 2 2 0.10163482854318D+01 0.46925005581876D-06
|
|
3 1 2 2 0.61779236858204D+00 -0.69301898507695D-06
|
|
1 2 2 2 -0.31354389153767D+01 0.63157432766420D-06
|
|
2 2 2 2 -0.60401138105441D+01 -0.27755575426807D-16
|
|
3 2 2 2 -0.28866902630548D+01 0.32698786936639D-06
|
|
1 1 3 2 0.65417515740292D+00 0.70934520523712D-06
|
|
2 1 3 2 0.61779292444019D+00 0.61156715380978D-06
|
|
3 1 3 2 0.11694003698903D+01 -0.13279961806421D-06
|
|
1 2 3 2 -0.28902077476886D+01 -0.78489942875364D-07
|
|
2 2 3 2 -0.28866902630548D+01 -0.32698786914435D-06
|
|
3 2 3 2 -0.57415232872186D+01 -0.27755570988234D-16
|
|
Band: 3
|
|
1 1 1 1 -0.19625350580064D+02 -0.37816974937393D-15
|
|
2 1 1 1 -0.19609008801128D+02 0.15999826099438D-05
|
|
3 1 1 1 -0.18858777012831D+02 -0.17053150824136D-05
|
|
1 2 1 1 -0.31795224609816D+01 0.48680658501695D-06
|
|
2 2 1 1 -0.10016226347425D+01 0.18563919466641D-05
|
|
3 2 1 1 0.11681194684162D+01 0.16143331436905D-05
|
|
1 1 2 1 -0.19609008801128D+02 -0.15999826102951D-05
|
|
2 1 2 1 -0.37109177939146D+02 -0.61062275952708D-15
|
|
3 1 2 1 -0.28201443918907D+02 -0.15188879829996D-05
|
|
1 2 2 1 -0.10016248683200D+01 0.49271537530203D-06
|
|
2 2 2 1 -0.17277029515230D+01 0.21318600242391D-05
|
|
3 2 2 1 0.13594844203945D+01 0.81361551220315D-06
|
|
1 1 3 1 -0.18858777012831D+02 0.17053150811269D-05
|
|
2 1 3 1 -0.28201443918907D+02 0.15188879824293D-05
|
|
3 1 3 1 -0.27703381025722D+02 -0.24980018079915D-15
|
|
1 2 3 1 0.11681214436345D+01 -0.13713406264748D-05
|
|
2 2 3 1 0.13594838518742D+01 -0.65649578710178D-06
|
|
3 2 3 1 -0.85141570743538D+00 0.20950735011903D-06
|
|
1 1 1 2 -0.31795224609816D+01 -0.48680658554951D-06
|
|
2 1 1 2 -0.10016248683200D+01 -0.49271537702287D-06
|
|
3 1 1 2 0.11681214436345D+01 0.13713406273577D-05
|
|
1 2 1 2 -0.19625355793406D+02 -0.22933044842179D-14
|
|
2 2 1 2 -0.19609015445660D+02 -0.30372954701468D-06
|
|
3 2 1 2 -0.18858776813922D+02 -0.14930537262099D-05
|
|
1 1 2 2 -0.10016226347425D+01 -0.18563919446136D-05
|
|
2 1 2 2 -0.17277029515230D+01 -0.21318600254013D-05
|
|
3 1 2 2 0.13594838518742D+01 0.65649578898915D-06
|
|
1 2 2 2 -0.19609015445660D+02 0.30372954414892D-06
|
|
2 2 2 2 -0.37109186379132D+02 0.24424906839371D-14
|
|
3 2 2 2 -0.28201441661881D+02 -0.11624050660194D-05
|
|
1 1 3 2 0.11681194684162D+01 -0.16143331437807D-05
|
|
2 1 3 2 0.13594844203945D+01 -0.81361551240785D-06
|
|
3 1 3 2 -0.85141570743538D+00 -0.20950735012597D-06
|
|
1 2 3 2 -0.18858776813922D+02 0.14930537260156D-05
|
|
2 2 3 2 -0.28201441661881D+02 0.11624050669076D-05
|
|
3 2 3 2 -0.27703379818051D+02 0.11102231133209D-15
|
|
Band: 4
|
|
1 1 1 1 -0.12141556056035D+02 0.28687992560196D-15
|
|
2 1 1 1 -0.36008014241699D+01 0.61373425691634D-06
|
|
3 1 1 1 -0.71290465123220D+01 -0.22536126698107D-05
|
|
1 2 1 1 -0.21001393697769D+01 -0.22645344845601D-06
|
|
2 2 1 1 -0.54691932927957D+00 0.61352493895009D-06
|
|
3 2 1 1 -0.17010854071208D+01 0.28479472817763D-05
|
|
1 1 2 1 -0.36008014241699D+01 -0.61373425719216D-06
|
|
2 1 2 1 -0.13279830118589D+02 0.47184489551656D-15
|
|
3 1 2 1 0.19724807996972D+01 0.22054986553104D-05
|
|
1 2 2 1 -0.54691668721028D+00 -0.17224505150236D-05
|
|
2 2 2 1 -0.17412624407728D+01 -0.31422626921617D-06
|
|
3 2 2 1 -0.21335644029270D+01 -0.18421470507451D-05
|
|
1 1 3 1 -0.71290465123220D+01 0.22536126701915D-05
|
|
2 1 3 1 0.19724807996972D+01 -0.22054986556019D-05
|
|
3 1 3 1 -0.17338935413867D+02 0.63837825376437D-15
|
|
1 2 3 1 -0.17010838032911D+01 -0.43288629737916D-05
|
|
2 2 3 1 -0.21335786040302D+01 -0.57298921999651D-05
|
|
3 2 3 1 -0.81451881175000D+01 -0.82807240021822D-06
|
|
1 1 1 2 -0.21001393697769D+01 0.22645344831723D-06
|
|
2 1 1 2 -0.54691668721028D+00 0.17224505149004D-05
|
|
3 1 1 2 -0.17010838032911D+01 0.43288629728115D-05
|
|
1 2 1 2 -0.12141558121940D+02 0.17520702126420D-15
|
|
2 2 1 2 -0.36008005864672D+01 0.77468315008314D-06
|
|
3 2 1 2 -0.71290488503586D+01 -0.36088134401485D-05
|
|
1 1 2 2 -0.54691932927957D+00 -0.61352493880611D-06
|
|
2 1 2 2 -0.17412624407728D+01 0.31422626909214D-06
|
|
3 1 2 2 -0.21335786040302D+01 0.57298922008151D-05
|
|
1 2 2 2 -0.36008005864672D+01 -0.77468314991227D-06
|
|
2 2 2 2 -0.13279826014898D+02 0.55511186409860D-16
|
|
3 2 2 2 0.19724935634013D+01 -0.58959023116165D-05
|
|
1 1 3 2 -0.17010854071208D+01 -0.28479472820001D-05
|
|
2 1 3 2 -0.21335644029270D+01 0.18421470507728D-05
|
|
3 1 3 2 -0.81451881175000D+01 0.82807239991291D-06
|
|
1 2 3 2 -0.71290488503586D+01 0.36088134406837D-05
|
|
2 2 3 2 0.19724935634013D+01 0.58959023122271D-05
|
|
3 2 3 2 -0.17338942863953D+02 -0.41633306962550D-15
|
|
Band: 5
|
|
1 1 1 1 -0.84135508012641D+01 -0.33219966264796D-15
|
|
2 1 1 1 -0.91957064778947D+00 0.41914569815194D-05
|
|
3 1 1 1 0.94508165970613D+00 0.38878451108607D-05
|
|
1 2 1 1 -0.32100859251079D+01 0.12728116453918D-05
|
|
2 2 1 1 -0.65241450428467D+01 0.37148055298541D-05
|
|
3 2 1 1 -0.10180392215591D+02 -0.13892444756032D-05
|
|
1 1 2 1 -0.91957064778947D+00 -0.41914569815992D-05
|
|
2 1 2 1 -0.94712634853355D+01 0.10685895966630D-14
|
|
3 1 2 1 0.10790217494720D+02 -0.42163524881655D-05
|
|
1 2 2 1 -0.65241497123720D+01 0.36624990344898D-05
|
|
2 2 2 1 -0.10527406816527D+02 0.71139753099094D-05
|
|
3 2 2 1 -0.15754612459210D+02 0.54240771641310D-05
|
|
1 1 3 1 0.94508165970612D+00 -0.38878451115216D-05
|
|
2 1 3 1 0.10790217494720D+02 0.42163524869252D-05
|
|
3 1 3 1 -0.20975953949318D+01 0.20816683059251D-14
|
|
1 2 3 1 -0.10180390723462D+02 0.57635968695197D-05
|
|
2 2 3 1 -0.15754596589435D+02 0.85492967098735D-05
|
|
3 2 3 1 -0.26843671385946D+02 0.13279766818757D-05
|
|
1 1 1 2 -0.32100859251079D+01 -0.12728116459191D-05
|
|
2 1 1 2 -0.65241497123720D+01 -0.36624990337681D-05
|
|
3 1 1 2 -0.10180390723462D+02 -0.57635968698042D-05
|
|
1 2 1 2 -0.84135491646876D+01 0.27755384044153D-16
|
|
2 2 1 2 -0.91957363714647D+00 0.56216096472885D-06
|
|
3 2 1 2 0.94508677659609D+00 0.61043754185094D-05
|
|
1 1 2 2 -0.65241450428467D+01 -0.37148055304509D-05
|
|
2 1 2 2 -0.10527406816527D+02 -0.71139753096874D-05
|
|
3 1 2 2 -0.15754596589435D+02 -0.85492967103314D-05
|
|
1 2 2 2 -0.91957363714646D+00 -0.56216096285882D-06
|
|
2 2 2 2 -0.94712756616250D+01 -0.33306654266007D-15
|
|
3 2 2 2 0.10790209615057D+02 0.78845576929077D-05
|
|
1 1 3 2 -0.10180392215591D+02 0.13892444761106D-05
|
|
2 1 3 2 -0.15754612459210D+02 -0.54240771633608D-05
|
|
3 1 3 2 -0.26843671385946D+02 -0.13279766835063D-05
|
|
1 2 3 2 0.94508677659609D+00 -0.61043754192726D-05
|
|
2 2 3 2 0.10790209615057D+02 -0.78845576926856D-05
|
|
3 2 3 2 -0.20975803309545D+01 0.38857812201444D-15
|
|
Band: 6
|
|
1 1 1 1 -0.11320936236815D+02 -0.11449178736118D-15
|
|
2 1 1 1 -0.13731414677311D+02 0.20345623643013D-06
|
|
3 1 1 1 -0.14285488368206D+02 0.26690059853262D-05
|
|
1 2 1 1 -0.10652324878266D+02 0.10823829565108D-06
|
|
2 2 1 1 -0.83514800141584D+01 0.47345253142305D-06
|
|
3 2 1 1 -0.50754322350404D+01 -0.33265095437668D-05
|
|
1 1 2 1 -0.13731414677311D+02 -0.20345623743627D-06
|
|
2 1 2 1 -0.32316966574868D+02 -0.16549261479709D-14
|
|
3 1 2 1 -0.24098726478513D+02 0.11271311440669D-05
|
|
1 2 2 1 -0.83514746328267D+01 -0.16474088595822D-05
|
|
2 2 2 1 -0.67836179178882D+01 0.68426127097965D-06
|
|
3 2 2 1 0.53066920468799D+00 -0.39180784702462D-05
|
|
1 1 3 1 -0.14285488368206D+02 -0.26690059836608D-05
|
|
2 1 3 1 -0.24098726478513D+02 -0.11271311402782D-05
|
|
3 1 3 1 -0.20293592819774D+02 0.21545268253248D-14
|
|
1 2 3 1 -0.50754331797329D+01 0.25014989862829D-05
|
|
2 2 3 1 0.53066380106027D+00 0.94565051206644D-06
|
|
3 2 3 1 -0.79886888555700D+01 0.83613551684306D-06
|
|
1 1 1 2 -0.10652324878266D+02 -0.10823829657742D-06
|
|
2 1 1 2 -0.83514746328267D+01 0.16474088595233D-05
|
|
3 1 1 2 -0.50754331797329D+01 -0.25014989862448D-05
|
|
1 2 1 2 -0.11320936876208D+02 -0.23878468812139D-14
|
|
2 2 1 2 -0.13731408998650D+02 0.15892839306927D-05
|
|
3 2 1 2 -0.14285492235712D+02 0.72556702252481D-06
|
|
1 1 2 2 -0.83514800141584D+01 -0.47345253122183D-06
|
|
2 1 2 2 -0.67836179178882D+01 -0.68426126806532D-06
|
|
3 1 2 2 0.53066380106028D+00 -0.94565051214971D-06
|
|
1 2 2 2 -0.13731408998650D+02 -0.15892839299988D-05
|
|
2 2 2 2 -0.32316961751983D+02 0.13322676781357D-14
|
|
3 2 2 2 -0.24098722043267D+02 -0.32861936723131D-06
|
|
1 1 3 2 -0.50754322350404D+01 0.33265095439958D-05
|
|
2 1 3 2 0.53066920468799D+00 0.39180784722307D-05
|
|
3 1 3 2 -0.79886888555700D+01 -0.83613551743980D-06
|
|
1 2 3 2 -0.14285492235712D+02 -0.72556702563343D-06
|
|
2 2 3 2 -0.24098722043267D+02 0.32861936545495D-06
|
|
3 2 3 2 -0.20293599236404D+02 0.21094239012702D-14
|
|
Band: 7
|
|
1 1 1 1 -0.26054172673466D+01 0.66353176723339D-15
|
|
2 1 1 1 -0.41453751796663D+01 0.27112307726643D-05
|
|
3 1 1 1 0.19789827933721D+01 -0.89728735197000D-06
|
|
1 2 1 1 -0.46261316742799D+01 0.22220527810809D-05
|
|
2 2 1 1 -0.39654386172561D+01 0.42968847772861D-05
|
|
3 2 1 1 -0.29222950600564D+01 0.13221895120690D-05
|
|
1 1 2 1 -0.41453751796663D+01 -0.27112307728855D-05
|
|
2 1 2 1 -0.12987604509799D+02 -0.17347225376398D-15
|
|
3 1 2 1 -0.18090712958285D+01 -0.49730113061602D-05
|
|
1 2 2 1 -0.39654431263052D+01 0.42666354428838D-05
|
|
2 2 2 1 -0.39458921195203D+01 0.77917929220667D-05
|
|
3 2 2 1 0.73951885613675D+00 0.49702179220805D-05
|
|
1 1 3 1 0.19789827933721D+01 0.89728735032549D-06
|
|
2 1 3 1 -0.18090712958285D+01 0.49730113061602D-05
|
|
3 1 3 1 -0.18318011002499D+01 -0.11796122791616D-15
|
|
1 2 3 1 -0.29222933734228D+01 0.10082412727051D-05
|
|
2 2 3 1 0.73952465869946D+00 0.11122255728922D-05
|
|
3 2 3 1 -0.15519983259287D+00 -0.10697696051227D-06
|
|
1 1 1 2 -0.46261316742799D+01 -0.22220527812010D-05
|
|
2 1 1 2 -0.39654431263052D+01 -0.42666354426063D-05
|
|
3 1 1 2 -0.29222933734228D+01 -0.10082412725385D-05
|
|
1 2 1 2 -0.26054178859771D+01 -0.11102229893165D-15
|
|
2 2 1 2 -0.41453785670315D+01 0.87656190603333D-06
|
|
3 2 1 2 0.19789842205404D+01 0.12549364567220D-05
|
|
1 1 2 2 -0.39654386172561D+01 -0.42968847776886D-05
|
|
2 1 2 2 -0.39458921195203D+01 -0.77917929217614D-05
|
|
3 1 2 2 0.73952465869946D+00 -0.11122255721220D-05
|
|
1 2 2 2 -0.41453785670315D+01 -0.87656190627619D-06
|
|
2 2 2 2 -0.12987608570470D+02 0.55511413510217D-16
|
|
3 2 2 2 -0.18090741330801D+01 0.15626505484083D-05
|
|
1 1 3 2 -0.29222950600564D+01 -0.13221895121557D-05
|
|
2 1 3 2 0.73951885613675D+00 -0.49702179230172D-05
|
|
3 1 3 2 -0.15519983259287D+00 0.10697696031798D-06
|
|
1 2 3 2 0.19789842205404D+01 -0.12549364557644D-05
|
|
2 2 3 2 -0.18090741330801D+01 -0.15626505481169D-05
|
|
3 2 3 2 -0.18317968563215D+01 0.41633354850027D-16
|
|
Band: 8
|
|
1 1 1 1 -0.14988318483834D+02 -0.23245290352183D-15
|
|
2 1 1 1 0.56723656376520D+01 0.12637479537065D-05
|
|
3 1 1 1 -0.37177033130017D+01 -0.13026825179104D-05
|
|
1 2 1 1 0.90222153262518D+01 0.18370149423290D-05
|
|
2 2 1 1 -0.14199542375312D+00 0.34419185933909D-05
|
|
3 2 1 1 0.17371703495074D+01 0.28517852820847D-05
|
|
1 1 2 1 0.56723656376520D+01 -0.12637479537728D-05
|
|
2 1 2 1 -0.23383606666197D+01 -0.13010488407104D-16
|
|
3 1 2 1 -0.30199133693588D+01 -0.82618785054412D-06
|
|
1 2 2 1 -0.14199549051489D+00 -0.13058925276633D-05
|
|
2 2 2 1 -0.19393071993362D+01 0.12118026490580D-05
|
|
3 2 2 1 0.24355892869417D+01 0.24546828284266D-05
|
|
1 1 3 1 -0.37177033130017D+01 0.13026825166510D-05
|
|
2 1 3 1 -0.30199133693588D+01 0.82618785048340D-06
|
|
3 1 3 1 -0.60877431752097D+01 -0.41633334567038D-16
|
|
1 2 3 1 0.17371781010434D+01 -0.23298538294666D-05
|
|
2 2 3 1 0.24355936079446D+01 -0.20758340549016D-05
|
|
3 2 3 1 0.48229862898037D+01 -0.15801380076654D-06
|
|
1 1 1 2 0.90222153262518D+01 -0.18370149407018D-05
|
|
2 1 1 2 -0.14199549051489D+00 0.13058925257837D-05
|
|
3 1 1 2 0.17371781010434D+01 0.23298538327054D-05
|
|
1 2 1 2 -0.14988328094003D+02 0.55511138177137D-16
|
|
2 2 1 2 0.56723588370981D+01 0.17606103792643D-06
|
|
3 2 1 2 -0.37177045742609D+01 -0.19132277488097D-05
|
|
1 1 2 2 -0.14199542375312D+00 -0.34419185940293D-05
|
|
2 1 2 2 -0.19393071993362D+01 -0.12118026486278D-05
|
|
3 1 2 2 0.24355936079446D+01 0.20758340546379D-05
|
|
1 2 2 2 0.56723588370981D+01 -0.17606103669824D-06
|
|
2 2 2 2 -0.23383666290220D+01 -0.33306701226662D-15
|
|
3 2 2 2 -0.30199112181835D+01 -0.16330354318459D-05
|
|
1 1 3 2 0.17371703495074D+01 -0.28517852840658D-05
|
|
2 1 3 2 0.24355892869417D+01 -0.24546828289540D-05
|
|
3 1 3 2 0.48229862898037D+01 0.15801380080124D-06
|
|
1 2 3 2 -0.37177045742609D+01 0.19132277518177D-05
|
|
2 2 3 2 -0.30199112181835D+01 0.16330354314850D-05
|
|
3 2 3 2 -0.60877407485555D+01 -0.19428902108233D-15
|
|
K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.10222560834096D+02 0.69387107104626D-17
|
|
2 1 1 1 -0.69673166395588D+01 -0.35066731262994D-05
|
|
3 1 1 1 -0.19889761914634D+01 0.94662298333390D-05
|
|
1 2 1 1 0.30642035842396D+01 -0.30065769780988D-05
|
|
2 2 1 1 0.52389578273740D+01 -0.47954349746018D-05
|
|
3 2 1 1 0.11329575781995D+01 -0.77439070264950D-05
|
|
1 1 2 1 -0.69673166395588D+01 0.35066731261355D-05
|
|
2 1 2 1 -0.94233569483530D+01 0.55511257227102D-16
|
|
3 1 2 1 -0.19517164683110D+01 0.94204001145641D-05
|
|
1 2 2 1 0.52389759548540D+01 -0.93066229224981D-05
|
|
2 2 2 1 0.54831466926605D+01 -0.10363451097917D-04
|
|
3 2 2 1 0.10962380890476D+01 -0.84482205164314D-05
|
|
1 1 3 1 -0.19889761914634D+01 -0.94662298333364D-05
|
|
2 1 3 1 -0.19517164683110D+01 -0.94204001146006D-05
|
|
3 1 3 1 -0.38935082374714D+01 0.10841971553478D-16
|
|
1 2 3 1 0.11329582397922D+01 0.85994298217719D-05
|
|
2 2 3 1 0.10962350194186D+01 0.89496773093292D-05
|
|
3 2 3 1 0.21874708732252D+01 0.31697385360245D-06
|
|
1 1 1 2 0.30642035842396D+01 0.30065769781361D-05
|
|
2 1 1 2 0.52389759548540D+01 0.93066229224391D-05
|
|
3 1 1 2 0.11329582397922D+01 -0.85994298218604D-05
|
|
1 2 1 2 -0.10222565451634D+02 0.64184769163420D-16
|
|
2 2 1 2 -0.69673012304206D+01 0.37426514653039D-05
|
|
3 2 1 2 -0.19889851643655D+01 0.87670867045200D-05
|
|
1 1 2 2 0.52389578273740D+01 0.47954349746677D-05
|
|
2 1 2 2 0.54831466926605D+01 0.10363451097830D-04
|
|
3 1 2 2 0.10962350194186D+01 -0.89496773092650D-05
|
|
1 2 2 2 -0.69673012304206D+01 -0.37426514654915D-05
|
|
2 2 2 2 -0.94233241791470D+01 -0.71123226949628D-16
|
|
3 2 2 2 -0.19517213348084D+01 0.83822415211031D-05
|
|
1 1 3 2 0.11329575781995D+01 0.77439070265948D-05
|
|
2 1 3 2 0.10962380890476D+01 0.84482205165459D-05
|
|
3 1 3 2 0.21874708732252D+01 -0.31697385359724D-06
|
|
1 2 3 2 -0.19889851643655D+01 -0.87670867044766D-05
|
|
2 2 3 2 -0.19517213348084D+01 -0.83822415212606D-05
|
|
3 2 3 2 -0.38935073196542D+01 0.10408355776010D-16
|
|
Band: 2
|
|
1 1 1 1 -0.60423075939981D+01 -0.36429209201215D-16
|
|
2 1 1 1 -0.31398184676081D+01 0.77943565285571D-06
|
|
3 1 1 1 -0.28903048102659D+01 0.37017353480877D-06
|
|
1 2 1 1 0.10159736100590D+01 -0.32236052494281D-06
|
|
2 2 1 1 0.14744240821983D+01 0.12010399350885D-05
|
|
3 2 1 1 0.62306207812198D+00 0.10672832483077D-07
|
|
1 1 2 1 -0.31398184676081D+01 -0.77943565323735D-06
|
|
2 1 2 1 -0.11688036782031D+02 -0.63837815029975D-15
|
|
3 1 2 1 -0.28935122661544D+01 0.56171855144506D-06
|
|
1 2 2 1 0.14744266156504D+01 -0.12928390998296D-05
|
|
2 2 2 1 0.29516813865258D+01 -0.52821965579289D-06
|
|
3 2 2 1 0.66007669321383D+00 -0.64114247968897D-06
|
|
1 1 3 1 -0.28903048102659D+01 -0.37017353478058D-06
|
|
2 1 3 1 -0.28935122661544D+01 -0.56171855127593D-06
|
|
3 1 3 1 -0.57488567445871D+01 0.43368071727015D-16
|
|
1 2 3 1 0.62306191538843D+00 0.32131543898828D-06
|
|
2 2 3 1 0.66007127377470D+00 0.14994775697794D-05
|
|
3 2 3 1 0.11790537510645D+01 0.10154162986313D-06
|
|
1 1 1 2 0.10159736100590D+01 0.32236052508158D-06
|
|
2 1 1 2 0.14744266156504D+01 0.12928391002182D-05
|
|
3 1 1 2 0.62306191538843D+00 -0.32131543910277D-06
|
|
1 2 1 2 -0.60423067639988D+01 0.43021141442284D-15
|
|
2 2 1 2 -0.31398149514732D+01 0.37684812590246D-07
|
|
3 2 1 2 -0.28903046127320D+01 0.22627302030225D-06
|
|
1 1 2 2 0.14744240821983D+01 -0.12010399349246D-05
|
|
2 1 2 2 0.29516813865258D+01 0.52821965574258D-06
|
|
3 1 2 2 0.66007127377470D+00 -0.14994775698540D-05
|
|
1 2 2 2 -0.31398149514732D+01 -0.37684812423712D-07
|
|
2 2 2 2 -0.11688029985528D+02 -0.19428899537258D-15
|
|
3 2 2 2 -0.28935071282458D+01 0.95296448697452D-06
|
|
1 1 3 2 0.62306207812198D+00 -0.10672832576752D-07
|
|
2 1 3 2 0.66007669321383D+00 0.64114247958141D-06
|
|
3 1 3 2 0.11790537510645D+01 -0.10154162985793D-06
|
|
1 2 3 2 -0.28903046127320D+01 -0.22627302038660D-06
|
|
2 2 3 2 -0.28935071282458D+01 -0.95296448721717D-06
|
|
3 2 3 2 -0.57488560572094D+01 0.77195159236602D-16
|
|
Band: 3
|
|
1 1 1 1 -0.34497573484008D+02 -0.18735013687245D-15
|
|
2 1 1 1 -0.18595747687334D+02 0.10433116072723D-05
|
|
3 1 1 1 -0.29331182765930D+02 -0.28679960875880D-05
|
|
1 2 1 1 -0.24737125281752D+01 0.67442884757348D-06
|
|
2 2 1 1 -0.18650478114842D+01 0.36768227709071D-07
|
|
3 2 1 1 0.13416536327836D+01 0.24774319737915D-05
|
|
1 1 2 1 -0.18595747687334D+02 -0.10433116077372D-05
|
|
2 1 2 1 -0.19291416453121D+02 0.17347226372205D-15
|
|
3 1 2 1 -0.20275435732645D+02 -0.24290317905315D-05
|
|
1 2 2 1 -0.18650547924720D+01 0.29123242734801D-05
|
|
2 2 2 1 -0.41551869400323D+01 0.34338822600515D-05
|
|
3 2 2 1 0.11792199524090D+01 0.26328363471036D-05
|
|
1 1 3 1 -0.29331182765930D+02 0.28679960880668D-05
|
|
2 1 3 1 -0.20275435732645D+02 0.24290317892929D-05
|
|
3 1 3 1 -0.30531792744286D+02 0.55511172195116D-16
|
|
1 2 3 1 0.13416532124853D+01 -0.24218919460389D-05
|
|
2 2 3 1 0.11792219952418D+01 -0.29077736311645D-05
|
|
3 2 3 1 -0.11452749952679D+01 0.23537257217313D-06
|
|
1 1 1 2 -0.24737125281752D+01 -0.67442884581100D-06
|
|
2 1 1 2 -0.18650547924720D+01 -0.29123242740491D-05
|
|
3 1 1 2 0.13416532124853D+01 0.24218919464552D-05
|
|
1 2 1 2 -0.34497574996428D+02 0.12490009653865D-14
|
|
2 2 1 2 -0.18595756259442D+02 -0.97661407944776D-06
|
|
3 2 1 2 -0.29331180548417D+02 -0.28070617192306D-05
|
|
1 1 2 2 -0.18650478114842D+01 -0.36768227432383D-07
|
|
2 1 2 2 -0.41551869400323D+01 -0.34338822593299D-05
|
|
3 1 2 2 0.11792219952418D+01 0.29077736305556D-05
|
|
1 2 2 2 -0.18595756259442D+02 0.97661408039145D-06
|
|
2 2 2 2 -0.19291433071086D+02 -0.20710009520978D-22
|
|
3 2 2 2 -0.20275436053689D+02 -0.31104310027331D-05
|
|
1 1 3 2 0.13416536327836D+01 -0.24774319732693D-05
|
|
2 1 3 2 0.11792199524090D+01 -0.26328363480334D-05
|
|
3 1 3 2 -0.11452749952679D+01 -0.23537257272824D-06
|
|
1 2 3 2 -0.29331180548417D+02 0.28070617243724D-05
|
|
2 2 3 2 -0.20275436053689D+02 0.31104310013939D-05
|
|
3 2 3 2 -0.30531792006739D+02 0.72858390246806D-15
|
|
Band: 4
|
|
1 1 1 1 -0.15192188010040D+02 0.55511123958128D-16
|
|
2 1 1 1 -0.39132912274516D+01 -0.94298998070536D-06
|
|
3 1 1 1 0.30085482692184D+01 -0.24231553951968D-05
|
|
1 2 1 1 -0.16800578557595D+01 0.63896751545072D-06
|
|
2 2 1 1 -0.36677916355062D+00 -0.85602310148645D-06
|
|
3 2 1 1 -0.19950845877317D+01 0.29368830808682D-05
|
|
1 1 2 1 -0.39132912274516D+01 0.94298998061775D-06
|
|
2 1 2 1 -0.11807984843875D+02 -0.97144469811859D-16
|
|
3 1 2 1 -0.58041594480283D+01 0.24479661676628D-05
|
|
1 2 2 1 -0.36677714894519D+00 -0.17033686564342D-06
|
|
2 2 2 1 -0.18410390537922D+01 -0.10523223835386D-05
|
|
3 2 2 1 -0.15895964103913D+01 -0.19576154025581D-05
|
|
1 1 3 1 0.30085482692184D+01 0.24231553964320D-05
|
|
2 1 3 1 -0.58041594480283D+01 -0.24479661676342D-05
|
|
3 1 3 1 -0.14483676268895D+02 -0.44408937133123D-15
|
|
1 2 3 1 -0.19950857584432D+01 -0.35815437965596D-05
|
|
2 2 3 1 -0.15896084104296D+01 -0.62283747190601D-05
|
|
3 2 3 1 -0.78244817405299D+01 -0.78451124897704D-06
|
|
1 1 1 2 -0.16800578557595D+01 -0.63896751618625D-06
|
|
2 1 1 2 -0.36677714894519D+00 0.17033686567811D-06
|
|
3 1 1 2 -0.19950857584432D+01 0.35815437969621D-05
|
|
1 2 1 2 -0.15192186574023D+02 0.22204465591135D-15
|
|
2 2 1 2 -0.39132891731838D+01 0.16301460601154D-06
|
|
3 2 1 2 0.30085484410452D+01 -0.34543680241948D-05
|
|
1 1 2 2 -0.36677916355062D+00 0.85602310163910D-06
|
|
2 1 2 2 -0.18410390537922D+01 0.10523223833781D-05
|
|
3 1 2 2 -0.15896084104296D+01 0.62283747190115D-05
|
|
1 2 2 2 -0.39132891731838D+01 -0.16301460712176D-06
|
|
2 2 2 2 -0.11807982463721D+02 0.55511123675097D-16
|
|
3 2 2 2 -0.58041486829605D+01 -0.59326875981417D-05
|
|
1 1 3 2 -0.19950845877317D+01 -0.29368830808274D-05
|
|
2 1 3 2 -0.15895964103913D+01 0.19576154019006D-05
|
|
3 1 3 2 -0.78244817405299D+01 0.78451124689147D-06
|
|
1 2 3 2 0.30085484410452D+01 0.34543680252704D-05
|
|
2 2 3 2 -0.58041486829605D+01 0.59326875975952D-05
|
|
3 2 3 2 -0.14483683447305D+02 -0.40700982108540D-15
|
|
Band: 5
|
|
1 1 1 1 -0.11172066655019D+02 -0.32395910962094D-15
|
|
2 1 1 1 -0.12946976449937D+01 0.45284603006090D-05
|
|
3 1 1 1 0.11296415749013D+02 -0.21347755648246D-05
|
|
1 2 1 1 -0.10459531218550D+02 0.46616568806973D-06
|
|
2 2 1 1 -0.60869763688819D+01 -0.21108075417536D-05
|
|
3 2 1 1 -0.14850008650315D+02 -0.24479533439002D-05
|
|
1 1 2 1 -0.12946976449937D+01 -0.45284603006298D-05
|
|
2 1 2 1 -0.83361605028142D+01 -0.15959466260502D-15
|
|
3 1 2 1 0.15458860732360D+01 -0.86676213440776D-05
|
|
1 2 2 1 -0.60869889154869D+01 0.15510384120202D-05
|
|
2 2 2 1 -0.28684727735840D+01 0.21504609365092D-05
|
|
3 2 2 1 -0.93232520774426D+01 0.49459452482440D-05
|
|
1 1 3 1 0.11296415749013D+02 0.21347755650258D-05
|
|
2 1 3 1 0.15458860732360D+01 0.86676213452919D-05
|
|
3 1 3 1 -0.98794691993396D+00 0.42327240633600D-15
|
|
1 2 3 1 -0.14850012915481D+02 -0.13453229302591D-07
|
|
2 2 3 1 -0.93232339619297D+01 0.71063358507338D-06
|
|
3 2 3 1 -0.24943715713497D+02 -0.22441276898891D-05
|
|
1 1 1 2 -0.10459531218550D+02 -0.46616568822238D-06
|
|
2 1 1 2 -0.60869889154869D+01 -0.15510384119786D-05
|
|
3 1 1 2 -0.14850012915481D+02 0.13453230135259D-07
|
|
1 2 1 2 -0.11172063654042D+02 0.80491126409095D-15
|
|
2 2 1 2 -0.12947002384775D+01 -0.61711111823549D-05
|
|
3 2 1 2 0.11296424883188D+02 -0.46825297953534D-05
|
|
1 1 2 2 -0.60869763688819D+01 0.21108075423451D-05
|
|
2 1 2 2 -0.28684727735840D+01 -0.21504609363704D-05
|
|
3 1 2 2 -0.93232339619297D+01 -0.71063358653055D-06
|
|
1 2 2 2 -0.12947002384775D+01 0.61711111819109D-05
|
|
2 2 2 2 -0.83361695127640D+01 -0.44408900799457D-15
|
|
3 2 2 2 0.15458759905700D+01 0.44671701871434D-05
|
|
1 1 3 2 -0.14850008650315D+02 0.24479533441222D-05
|
|
2 1 3 2 -0.93232520774426D+01 -0.49459452489968D-05
|
|
3 1 3 2 -0.24943715713497D+02 0.22441276875333D-05
|
|
1 2 3 2 0.11296424883188D+02 0.46825297964498D-05
|
|
2 2 3 2 0.15458759905700D+01 -0.44671701869769D-05
|
|
3 2 3 2 -0.98793270387023D+00 -0.11102181814180D-15
|
|
Band: 6
|
|
1 1 1 1 -0.30214685559249D+02 0.13461454181105D-14
|
|
2 1 1 1 -0.12967619536726D+02 -0.42422199949735D-06
|
|
3 1 1 1 -0.24616076351430D+02 0.37556485273291D-05
|
|
1 2 1 1 -0.72218384857552D+01 -0.56950726032525D-06
|
|
2 2 1 1 -0.91718193013673D+01 0.40919948896244D-05
|
|
3 2 1 1 -0.35079489159070D+00 0.64278170703820D-05
|
|
1 1 2 1 -0.12967619536726D+02 0.42422199987205D-06
|
|
2 1 2 1 -0.11009916117629D+02 0.17347249007161D-15
|
|
3 1 2 1 -0.14898344581553D+02 -0.22901912754605D-05
|
|
1 2 2 1 -0.91718203869372D+01 -0.47100156929325D-06
|
|
2 2 2 1 -0.11377371897972D+02 -0.31737083487073D-05
|
|
3 2 2 1 -0.59103768729773D+01 -0.14387097898319D-05
|
|
1 1 3 1 -0.24616076351430D+02 -0.37556485252336D-05
|
|
2 1 3 1 -0.14898344581553D+02 0.22901912764319D-05
|
|
3 1 3 1 -0.21393539816139D+02 0.36082245746397D-15
|
|
1 2 3 1 -0.35079878179802D+00 -0.24499804003368D-05
|
|
2 2 3 1 -0.59103779907235D+01 -0.49894185361331D-06
|
|
3 2 3 1 -0.98789488680310D+01 0.57938264071609D-05
|
|
1 1 1 2 -0.72218384857552D+01 0.56950725923584D-06
|
|
2 1 1 2 -0.91718203869372D+01 0.47100156900181D-06
|
|
3 1 1 2 -0.35079878179802D+00 0.24499803995596D-05
|
|
1 2 1 2 -0.30214681243885D+02 0.31918911674785D-14
|
|
2 2 1 2 -0.12967615592499D+02 -0.12850725535615D-05
|
|
3 2 1 2 -0.24616074897589D+02 -0.36029832211927D-05
|
|
1 1 2 2 -0.91718193013673D+01 -0.40919948893850D-05
|
|
2 1 2 2 -0.11377371897972D+02 0.31737083482285D-05
|
|
3 1 2 2 -0.59103779907235D+01 0.49894185421006D-06
|
|
1 2 2 2 -0.12967615592499D+02 0.12850725535615D-05
|
|
2 2 2 2 -0.11009908504812D+02 0.10547117451557D-14
|
|
3 2 2 2 -0.14898346495424D+02 0.62360882824346D-06
|
|
1 1 3 2 -0.35079489159070D+00 -0.64278170706734D-05
|
|
2 1 3 2 -0.59103768729773D+01 0.14387097889576D-05
|
|
3 1 3 2 -0.98789488680310D+01 -0.57938264076570D-05
|
|
1 2 3 2 -0.24616074897589D+02 0.36029832218033D-05
|
|
2 2 3 2 -0.14898346495424D+02 -0.62360882951675D-06
|
|
3 2 3 2 -0.21393547151512D+02 -0.39551748082617D-15
|
|
Band: 7
|
|
1 1 1 1 -0.12470804980025D+02 -0.12576769201227D-15
|
|
2 1 1 1 -0.35787198424313D+01 -0.19888135060431D-06
|
|
3 1 1 1 -0.74879700511334D+00 -0.92700949763441D-05
|
|
1 2 1 1 -0.44617427517990D+01 0.28790539942750D-04
|
|
2 2 1 1 -0.45209235131893D+01 0.14894740841952D-04
|
|
3 2 1 1 -0.30657878435498D+00 0.71329564029801D-05
|
|
1 1 2 1 -0.35787198424313D+01 0.19888135011598D-06
|
|
2 1 2 1 -0.21261917723019D+01 -0.54123378700072D-15
|
|
3 1 2 1 0.30707460151424D+01 -0.73507010831840D-05
|
|
1 2 2 1 -0.45209333353441D+01 0.18119741954213D-04
|
|
2 2 2 1 -0.50979209305833D+01 0.99446462505037D-05
|
|
3 2 2 1 -0.39962417596361D+01 0.58557894682894D-05
|
|
1 1 3 1 -0.74879700511334D+00 0.92700949763112D-05
|
|
2 1 3 1 0.30707460151424D+01 0.73507010829463D-05
|
|
3 1 3 1 0.30456632227220D+00 -0.10408359984453D-15
|
|
1 2 3 1 -0.30657518921018D+00 0.69979681441973D-05
|
|
2 2 3 1 -0.39962283056739D+01 0.51371876157634D-05
|
|
3 2 3 1 -0.22588302029463D+01 -0.14162432761373D-05
|
|
1 1 1 2 -0.44617427517990D+01 -0.28790539942476D-04
|
|
2 1 1 2 -0.45209333353441D+01 -0.18119741953783D-04
|
|
3 1 1 2 -0.30657518921018D+00 -0.69979681441349D-05
|
|
1 2 1 2 -0.12470837091922D+02 0.88473468717818D-16
|
|
2 2 1 2 -0.35787404031613D+01 -0.29792076564351D-05
|
|
3 2 1 2 -0.74879532733022D+00 0.64704445587657D-05
|
|
1 1 2 2 -0.45209235131893D+01 -0.14894740842445D-04
|
|
2 1 2 2 -0.50979209305833D+01 -0.99446462502609D-05
|
|
3 1 2 2 -0.39962283056739D+01 -0.51371876157616D-05
|
|
1 2 2 2 -0.35787404031613D+01 0.29792076563379D-05
|
|
2 2 2 2 -0.21262097002791D+01 0.59674544023125D-15
|
|
3 2 2 2 0.30707385175714D+01 0.53520044133924D-05
|
|
1 1 3 2 -0.30657878435498D+00 -0.71329564036862D-05
|
|
2 1 3 2 -0.39962417596361D+01 -0.58557894681814D-05
|
|
3 1 3 2 -0.22588302029463D+01 0.14162432762049D-05
|
|
1 2 3 2 -0.74879532733022D+00 -0.64704445585629D-05
|
|
2 2 3 2 0.30707385175714D+01 -0.53520044124886D-05
|
|
3 2 3 2 0.30457574102758D+00 -0.72858275097882D-16
|
|
Band: 8
|
|
1 1 1 1 -0.23659299215873D+01 -0.22204351977514D-15
|
|
2 1 1 1 0.56391795837253D+01 0.98054882606364D-05
|
|
3 1 1 1 -0.30753762804234D+01 -0.12361749140573D-04
|
|
1 2 1 1 -0.19668063118062D+01 -0.17240161930819D-04
|
|
2 2 1 1 -0.17543516543833D+00 -0.19128295431546D-04
|
|
3 2 1 1 0.23801236107086D+01 -0.62359799299648D-05
|
|
1 1 2 1 0.56391795837253D+01 -0.98054882608793D-05
|
|
2 1 2 1 -0.14940628053590D+02 -0.13877787056014D-14
|
|
3 1 2 1 -0.37787138076492D+01 -0.10648129978525D-04
|
|
1 2 2 1 -0.17543547393472D+00 -0.41253761792257D-05
|
|
2 2 2 1 0.90706812125246D+01 -0.64144097854617D-05
|
|
3 2 2 1 0.16761391880179D+01 -0.65354542144308D-05
|
|
1 1 3 1 -0.30753762804234D+01 0.12361749140424D-04
|
|
2 1 3 1 -0.37787138076492D+01 0.10648129976547D-04
|
|
3 1 3 1 -0.61990564938935D+01 0.58980625042802D-16
|
|
1 2 3 1 0.23801225224550D+01 -0.13336645417659D-04
|
|
2 2 3 1 0.16761410407311D+01 -0.13724781918827D-04
|
|
3 2 3 1 0.47116649090690D+01 -0.21429719413596D-06
|
|
1 1 1 2 -0.19668063118062D+01 0.17240161930366D-04
|
|
2 1 1 2 -0.17543547393472D+00 0.41253761799334D-05
|
|
3 1 1 2 0.23801225224550D+01 0.13336645417540D-04
|
|
1 2 1 2 -0.23659361654628D+01 0.69388846627286D-16
|
|
2 2 1 2 0.56391732023593D+01 -0.61140604105627D-06
|
|
3 2 1 2 -0.30753796232395D+01 0.59044913621778D-05
|
|
1 1 2 2 -0.17543516543833D+00 0.19128295430914D-04
|
|
2 1 2 2 0.90706812125245D+01 0.64144097869883D-05
|
|
3 1 2 2 0.16761410407311D+01 0.13724781923608D-04
|
|
1 2 2 2 0.56391732023593D+01 0.61140604161138D-06
|
|
2 2 2 2 -0.14940633895020D+02 -0.58286705531465D-15
|
|
3 2 2 2 -0.37787207056639D+01 0.63418785028619D-05
|
|
1 1 3 2 0.23801236107086D+01 0.62359799302072D-05
|
|
2 1 3 2 0.16761391880179D+01 0.65354542103161D-05
|
|
3 1 3 2 0.47116649090690D+01 0.21429719460780D-06
|
|
1 2 3 2 -0.30753796232395D+01 -0.59044913617632D-05
|
|
2 2 3 2 -0.37787207056639D+01 -0.63418785029885D-05
|
|
3 2 3 2 -0.61990537609389D+01 0.12143065960178D-15
|
|
K-point: 5.00000000E-01 5.00000000E-01 0.00000000E+00
|
|
Band: 1
|
|
1 1 1 1 -0.10248385367694D+02 0.15612507171294D-15
|
|
2 1 1 1 -0.73776906445480D+01 0.47702322156524D-07
|
|
3 1 1 1 -0.44891303826804D+01 -0.17558817789521D-05
|
|
1 2 1 1 0.71946445151954D-02 0.41304913334212D-06
|
|
2 2 1 1 0.31498311296273D+00 0.95548196526994D-06
|
|
3 2 1 1 0.24981468698705D+01 0.19748840125450D-05
|
|
1 1 2 1 -0.73776906445480D+01 -0.47702322017746D-07
|
|
2 1 2 1 -0.10211002141784D+02 -0.23245292776548D-15
|
|
3 1 2 1 -0.44525196660454D+01 0.29554581912471D-07
|
|
1 2 2 1 0.30069775779021D+00 -0.80038167838976D-07
|
|
2 2 2 1 -0.17761453994886D-01 0.66589682359799D-06
|
|
3 2 2 1 0.24679008462258D+01 0.27637078295808D-06
|
|
1 1 3 1 -0.44891303826804D+01 0.17558817791169D-05
|
|
2 1 3 1 -0.44525196660454D+01 -0.29554581905532D-07
|
|
3 1 3 1 -0.88927431054115D+01 -0.19428895513911D-15
|
|
1 2 3 1 0.25033564914731D+01 -0.13136247377796D-05
|
|
2 2 3 1 0.24961972037279D+01 -0.11346960537895D-05
|
|
3 2 3 1 0.49164401489248D+01 0.55240530966432D-06
|
|
1 1 1 2 0.71946445151952D-02 -0.41304913336987D-06
|
|
2 1 1 2 0.30069775779021D+00 0.80038167949998D-07
|
|
3 1 1 2 0.25033564914731D+01 0.13136247376339D-05
|
|
1 2 1 2 -0.67395877267479D+01 -0.61062264105628D-15
|
|
2 2 1 2 -0.47706061523107D+01 -0.35609328362774D-06
|
|
3 2 1 2 -0.35131406012060D+01 -0.11610492932335D-05
|
|
1 1 2 2 0.31498311296273D+00 -0.95548196564464D-06
|
|
2 1 2 2 -0.17761453994885D-01 -0.66589682311227D-06
|
|
3 1 2 2 0.24961972037279D+01 0.11346960540670D-05
|
|
1 2 2 2 -0.47706061523107D+01 0.35609328421060D-06
|
|
2 2 2 2 -0.67328566668531D+01 0.38857810546063D-15
|
|
3 2 2 2 -0.35041959320888D+01 -0.10727095450757D-05
|
|
1 1 3 2 0.24981468698705D+01 -0.19748840125450D-05
|
|
2 1 3 2 0.24679008462258D+01 -0.27637078273604D-06
|
|
3 1 3 2 0.49164401489248D+01 -0.55240530940412D-06
|
|
1 2 3 2 -0.35131406012060D+01 0.11610492933168D-05
|
|
2 2 3 2 -0.35041959320888D+01 0.10727095452700D-05
|
|
3 2 3 2 -0.69502933738786D+01 -0.48572295821339D-16
|
|
Band: 2
|
|
1 1 1 1 -0.65292112182279D+01 -0.62450025233555D-16
|
|
2 1 1 1 -0.34169538785702D+01 -0.75228558059469D-06
|
|
3 1 1 1 -0.19837172927656D+01 -0.20891827250523D-06
|
|
1 2 1 1 0.24196282118850D+00 0.11870966146338D-05
|
|
2 2 1 1 0.22952748210600D+01 0.76124147065509D-06
|
|
3 2 1 1 0.30301274601973D+00 0.18483283428560D-06
|
|
1 1 2 1 -0.34169538785702D+01 0.75228558038653D-06
|
|
2 1 2 1 -0.65299467618176D+01 -0.13010426228376D-15
|
|
3 1 2 1 -0.19747729714229D+01 0.50176931629769D-06
|
|
1 2 2 1 0.23095605925116D+01 0.57040667762786D-06
|
|
2 2 2 1 0.25053769163068D+00 0.59396922948170D-06
|
|
3 2 2 1 0.33325979309421D+00 -0.52090815662093D-06
|
|
1 1 3 1 -0.19837172927656D+01 0.20891827325810D-06
|
|
2 1 3 1 -0.19747729714229D+01 -0.50176931653014D-06
|
|
3 1 3 1 -0.39531868489103D+01 0.62450041693510D-16
|
|
1 2 3 1 0.29780096512235D+00 0.97171748771681D-06
|
|
2 2 3 1 0.30495972121095D+00 0.68864031689099D-06
|
|
3 2 3 1 0.58574536892539D+00 0.21038934345703D-06
|
|
1 1 1 2 0.24196282118850D+00 -0.11870966144395D-05
|
|
2 1 1 2 0.23095605925116D+01 -0.57040667754503D-06
|
|
3 1 1 2 0.29780096512235D+00 -0.97171748788682D-06
|
|
1 2 1 2 -0.10038006713471D+02 0.38857802661311D-15
|
|
2 2 1 2 -0.60240363564852D+01 0.17711288475867D-06
|
|
3 2 1 2 -0.29597024657332D+01 0.31194797971120D-06
|
|
1 1 2 2 0.22952748210600D+01 -0.76124147079040D-06
|
|
2 1 2 2 0.25053769163068D+00 -0.59396923008191D-06
|
|
3 1 2 2 0.30495972121096D+00 -0.68864031685109D-06
|
|
1 2 2 2 -0.60240363564852D+01 -0.17711288484194D-06
|
|
2 2 2 2 -0.10008091032663D+02 -0.34694476331356D-15
|
|
3 2 2 2 -0.29230906003661D+01 0.17525644350495D-06
|
|
1 1 3 2 0.30301274601973D+00 -0.18483283444519D-06
|
|
2 1 3 2 0.33325979309421D+00 0.52090815625317D-06
|
|
3 1 3 2 0.58574536892539D+00 -0.21038934377622D-06
|
|
1 2 3 2 -0.29597024657332D+01 -0.31194797910058D-06
|
|
2 2 3 2 -0.29230906003661D+01 -0.17525644256126D-06
|
|
3 2 3 2 -0.58956338898805D+01 -0.20816681804413D-15
|
|
Band: 3
|
|
1 1 1 1 0.35915986238908D+01 0.10407758048270D-16
|
|
2 1 1 1 0.16263178527770D+02 0.12002797061283D-04
|
|
3 1 1 1 -0.19595457225550D+01 -0.72258170592866D-05
|
|
1 2 1 1 -0.26786909193404D+02 -0.10646774409546D-05
|
|
2 2 1 1 -0.21761398964211D+02 0.57433791393293D-05
|
|
3 2 1 1 -0.17508598290405D+02 0.51707329906168D-05
|
|
1 1 2 1 0.16263178527770D+02 -0.12002797061894D-04
|
|
2 1 2 1 0.17763094162178D+02 -0.19775856390719D-15
|
|
3 1 2 1 0.57766998677056D+01 -0.19078647091744D-04
|
|
1 2 2 1 -0.30065370370742D+02 0.12944858604333D-04
|
|
2 2 2 1 -0.26579734525988D+02 0.19246094019746D-04
|
|
3 2 2 1 -0.19642305030182D+02 0.16595112811759D-04
|
|
1 1 3 1 -0.19595457225550D+01 0.72258170589214D-05
|
|
2 1 3 1 0.57766998677056D+01 0.19078647091196D-04
|
|
3 1 3 1 -0.24666183677036D+02 -0.20816648284016D-15
|
|
1 2 3 1 -0.18725184699794D+02 -0.77663466465265D-05
|
|
2 2 3 1 -0.16591500107448D+02 -0.30094300633823D-06
|
|
3 2 3 1 -0.89232059924310D+01 -0.14710817824809D-05
|
|
1 1 1 2 -0.26786909193404D+02 0.10646774419955D-05
|
|
2 1 1 2 -0.30065370370742D+02 -0.12944858603889D-04
|
|
3 1 1 2 -0.18725184699794D+02 0.77663466482126D-05
|
|
1 2 1 2 0.16068450852715D+02 0.29837182726551D-15
|
|
2 2 1 2 0.14778839522972D+02 -0.82663826414522D-05
|
|
3 2 1 2 0.48459909105164D+01 -0.45228714401941D-05
|
|
1 1 2 2 -0.21761398964211D+02 -0.57433791398289D-05
|
|
2 1 2 2 -0.26579734525988D+02 -0.19246094017581D-04
|
|
3 1 2 2 -0.16591500107448D+02 0.30094300493657D-06
|
|
1 2 2 2 0.14778839522972D+02 0.82663826417714D-05
|
|
2 2 2 2 0.23175541048648D+01 0.69381674441400D-17
|
|
3 2 2 2 -0.28902353363623D+01 0.23986036924344D-05
|
|
1 1 3 2 -0.17508598290405D+02 -0.51707329906446D-05
|
|
2 1 3 2 -0.19642305030182D+02 -0.16595112813535D-04
|
|
3 1 3 2 -0.89232059924310D+01 0.14710817776653D-05
|
|
1 2 3 2 0.48459909105164D+01 0.45228714407110D-05
|
|
2 2 3 2 -0.28902353363623D+01 -0.23986036929270D-05
|
|
3 2 3 2 -0.24666171565526D+02 -0.47704847662425D-15
|
|
Band: 4
|
|
1 1 1 1 -0.64194649331133D+01 0.83266572809085D-16
|
|
2 1 1 1 0.99273841688501D+00 -0.24610659713829D-05
|
|
3 1 1 1 -0.14798731967690D+01 -0.18541117451416D-05
|
|
1 2 1 1 0.19929256017603D+01 0.33585072686033D-05
|
|
2 2 1 1 -0.45910561545798D+01 0.13177646661124D-05
|
|
3 2 1 1 -0.53537888564841D+00 0.75643082819811D-06
|
|
1 1 2 1 0.99273841688502D+00 0.24610659711765D-05
|
|
2 1 2 1 -0.16261260783421D+02 0.36082241644003D-15
|
|
3 1 2 1 -0.92160984578205D+01 0.66129883607205D-06
|
|
1 2 2 1 0.37128846915499D+01 0.26216453587803D-05
|
|
2 2 2 1 0.60520863715036D+01 0.17249757645136D-05
|
|
3 2 2 1 0.15983046611082D+01 -0.16895552015015D-05
|
|
1 1 3 1 -0.14798731967690D+01 0.18541117450285D-05
|
|
2 1 3 1 -0.92160984578205D+01 -0.66129883566872D-06
|
|
3 1 3 1 -0.11171672600272D+02 0.95410219919199D-17
|
|
1 2 3 1 0.68121502308742D+00 0.23098280278554D-05
|
|
2 2 3 1 -0.14524709128474D+01 0.57645354811975D-06
|
|
3 2 3 1 0.15398780446551D+01 0.27960218271228D-06
|
|
1 1 1 2 0.19929256017603D+01 -0.33585072675278D-05
|
|
2 1 1 2 0.37128846915499D+01 -0.26216453584125D-05
|
|
3 1 1 2 0.68121502308742D+00 -0.23098280279577D-05
|
|
1 2 1 2 -0.18896324804478D+02 0.52735600945476D-15
|
|
2 2 1 2 0.24770408696216D+01 0.86668643798505D-06
|
|
3 2 1 2 -0.82854052617310D+01 0.89981609881968D-06
|
|
1 1 2 2 -0.45910561545798D+01 -0.13177646658687D-05
|
|
2 1 2 2 0.60520863715036D+01 -0.17249757640973D-05
|
|
3 1 2 2 -0.14524709128474D+01 -0.57645354868788D-06
|
|
1 2 2 2 0.24770408696216D+01 -0.86668643780984D-06
|
|
2 2 2 2 -0.81579129581532D+00 -0.72511454104092D-15
|
|
3 2 2 2 -0.54918098189308D+00 -0.77080567689845D-06
|
|
1 1 3 2 -0.53537888564841D+00 -0.75643082848911D-06
|
|
2 1 3 2 0.15983046611082D+01 0.16895552011077D-05
|
|
3 1 3 2 0.15398780446551D+01 -0.27960218258738D-06
|
|
1 2 3 2 -0.82854052617310D+01 -0.89981609838340D-06
|
|
2 2 3 2 -0.54918098189308D+00 0.77080567685942D-06
|
|
3 2 3 2 -0.11171672714405D+02 0.69388971004070D-16
|
|
Band: 5
|
|
1 1 1 1 0.11932351294679D+01 0.31225019868330D-15
|
|
2 1 1 1 0.22802295573559D+01 0.10001309771182D-04
|
|
3 1 1 1 0.61995999262429D+01 0.17840197816293D-05
|
|
1 2 1 1 -0.44790551800320D+01 0.43471224255515D-06
|
|
2 2 1 1 -0.39293053619708D+01 -0.36671263736399D-05
|
|
3 2 1 1 -0.34159163873970D+01 -0.20823304004733D-05
|
|
1 1 2 1 0.22802295573559D+01 -0.10001309770912D-04
|
|
2 1 2 1 -0.90524539415082D+00 -0.24286415208778D-16
|
|
3 1 2 1 0.47697326605353D+01 -0.11249437929362D-04
|
|
1 2 2 1 -0.35544946892493D+01 0.92734565345137D-05
|
|
2 2 2 1 -0.27264691030608D+01 0.51474812010647D-05
|
|
3 2 2 1 -0.19996267969869D+01 0.10535163505169D-04
|
|
1 1 3 1 0.61995999262429D+01 -0.17840197812828D-05
|
|
2 1 3 1 0.47697326605353D+01 0.11249437929897D-04
|
|
3 1 3 1 0.60474202976401D+00 -0.17813453644474D-15
|
|
1 2 3 1 -0.36072759908163D+01 0.33365465620819D-05
|
|
2 2 3 1 -0.26667009027235D+01 -0.78181291249544D-06
|
|
3 2 3 1 0.39544183660634D+01 -0.68671671868137D-06
|
|
1 1 1 2 -0.44790551800320D+01 -0.43471224307036D-06
|
|
2 1 1 2 -0.35544946892493D+01 -0.92734565345588D-05
|
|
3 1 1 2 -0.36072759908163D+01 -0.33365465616837D-05
|
|
1 2 1 2 0.18424814202906D+01 -0.55511150084125D-15
|
|
2 2 1 2 0.29925423642211D+01 0.37364663697003D-05
|
|
3 2 1 2 0.62910220770182D+01 0.34052861958554D-05
|
|
1 1 2 2 -0.39293053619708D+01 0.36671263732929D-05
|
|
2 1 2 2 -0.27264691030608D+01 -0.51474812004420D-05
|
|
3 1 2 2 -0.26667009027235D+01 0.78181291268534D-06
|
|
1 2 2 2 0.29925423642211D+01 -0.37364663702277D-05
|
|
2 2 2 2 0.44408312471981D+00 0.29143361321635D-15
|
|
3 2 2 2 0.53619238306192D+01 -0.75146982729825D-06
|
|
1 1 3 2 -0.34159163873970D+01 0.20823304002491D-05
|
|
2 1 3 2 -0.19996267969869D+01 -0.10535163505162D-04
|
|
3 1 3 2 0.39544183660634D+01 0.68671671857556D-06
|
|
1 2 3 2 0.62910220770182D+01 -0.34052861962440D-05
|
|
2 2 3 2 0.53619238306192D+01 0.75146982713172D-06
|
|
3 2 3 2 0.63391944857611D+00 0.34694464946140D-15
|
|
Band: 6
|
|
1 1 1 1 -0.11213729517400D+02 -0.36082228029707D-15
|
|
2 1 1 1 -0.34670245745977D+00 -0.87644552705519D-05
|
|
3 1 1 1 -0.19265652885926D+01 0.38774940434730D-05
|
|
1 2 1 1 -0.83444833074996D+01 0.55995433900175D-06
|
|
2 2 1 1 0.54220245934111D+01 -0.79787190871739D-05
|
|
3 2 1 1 -0.24492236023458D+00 0.39914497179750D-05
|
|
1 1 2 1 -0.34670245745977D+00 0.87644552704652D-05
|
|
2 1 2 1 -0.87741695985659D+01 0.21510640775964D-15
|
|
3 1 2 1 -0.28556672645875D+01 -0.46959815996073D-05
|
|
1 2 2 1 0.50472107671618D+01 0.77697341357980D-05
|
|
2 2 2 1 -0.63864696161528D+01 -0.90648481886750D-06
|
|
3 2 2 1 -0.16612210105099D+01 -0.58485275325334D-05
|
|
1 1 3 1 -0.19265652885926D+01 -0.38774940428675D-05
|
|
2 1 3 1 -0.28556672645875D+01 0.46959816002699D-05
|
|
3 1 3 1 -0.32834832506454D+01 -0.45102772034687D-16
|
|
1 2 3 1 -0.53556292137245D-01 -0.37320799250053D-05
|
|
2 2 3 1 -0.99413485081197D+00 0.49106991562708D-05
|
|
3 2 3 1 0.35326759827072D+00 -0.66176638257287D-06
|
|
1 1 1 2 -0.83444833074996D+01 -0.55995433862705D-06
|
|
2 1 1 2 0.50472107671618D+01 -0.77697341350729D-05
|
|
3 1 1 2 -0.53556292137245D-01 0.37320799252673D-05
|
|
1 2 1 2 -0.11862982415650D+02 0.11102217424467D-15
|
|
2 2 1 2 -0.10590241218504D+01 -0.74174185502810D-05
|
|
3 2 1 2 -0.20179929929732D+01 0.57687642109827D-05
|
|
1 1 2 2 0.54220245934111D+01 0.79787190873058D-05
|
|
2 1 2 2 -0.63864696161528D+01 0.90648481879638D-06
|
|
3 1 2 2 -0.99413485081197D+00 -0.49106991559516D-05
|
|
1 2 2 2 -0.10590241218504D+01 0.74174185504198D-05
|
|
2 2 2 2 -0.10123509860016D+02 -0.11102279242890D-15
|
|
3 2 2 2 -0.34478698893380D+01 -0.44741713698448D-05
|
|
1 1 3 2 -0.24492236023458D+00 -0.39914497184746D-05
|
|
2 1 3 2 -0.16612210105099D+01 0.58485275318777D-05
|
|
3 1 3 2 0.35326759827072D+00 0.66176638230226D-06
|
|
1 2 3 2 -0.20179929929732D+01 -0.57687642108162D-05
|
|
2 2 3 2 -0.34478698893380D+01 0.44741713697060D-05
|
|
3 2 3 2 -0.33126593520973D+01 0.13877827853777D-16
|
|
Band: 7
|
|
1 1 1 1 -0.49212579686436D+02 -0.35527136308946D-14
|
|
2 1 1 1 -0.18956027187736D+02 -0.23796676032086D-05
|
|
3 1 1 1 -0.51971047118055D+02 0.13990489269633D-05
|
|
1 2 1 1 -0.11034284954499D+02 -0.47318120244887D-06
|
|
2 2 1 1 -0.22404429121304D+02 0.55042797750983D-06
|
|
3 2 1 1 -0.27011705727829D+02 -0.12920370645832D-06
|
|
1 1 2 1 -0.18956027187736D+02 0.23796675940770D-05
|
|
2 1 2 1 -0.21866456521908D+02 -0.14606371446536D-14
|
|
3 1 2 1 -0.25120185953551D+02 0.45940289682742D-05
|
|
1 2 2 1 -0.11819839873045D+02 -0.26441890738899D-05
|
|
2 2 2 1 -0.10998781468371D+02 -0.29506699970297D-05
|
|
3 2 2 1 -0.15968902320785D+02 -0.31631020044686D-05
|
|
1 1 3 1 -0.51971047118055D+02 -0.13990489259086D-05
|
|
2 1 3 1 -0.25120185953551D+02 -0.45940289684407D-05
|
|
3 1 3 1 -0.78375173841433D+02 0.27311486290009D-13
|
|
1 2 3 1 -0.15876868295260D+02 0.85356869999753D-06
|
|
2 2 3 1 -0.26919671769058D+02 0.17093712174971D-05
|
|
3 2 3 1 -0.41700693126503D+02 0.26178849591271D-06
|
|
1 1 1 2 -0.11034284954499D+02 0.47318120006189D-06
|
|
2 1 1 2 -0.11819839873045D+02 0.26441890677976D-05
|
|
3 1 1 2 -0.15876868295260D+02 -0.85356869183739D-06
|
|
1 2 1 2 -0.21962311293321D+02 -0.74940062282906D-15
|
|
2 2 1 2 -0.19016297060266D+02 0.70400189281132D-06
|
|
3 2 1 2 -0.25212440428078D+02 0.27518785595122D-05
|
|
1 1 2 2 -0.22404429121304D+02 -0.55042797229178D-06
|
|
2 1 2 2 -0.10998781468371D+02 0.29506699915341D-05
|
|
3 1 2 2 -0.26919671769058D+02 -0.17093711841904D-05
|
|
1 2 2 2 -0.19016297060266D+02 -0.70400190097146D-06
|
|
2 2 2 2 -0.49237263099398D+02 -0.72997164293613D-14
|
|
3 2 2 2 -0.52063300235096D+02 0.30408157159279D-05
|
|
1 1 3 2 -0.27011705727829D+02 0.12920373110527D-06
|
|
2 1 3 2 -0.15968902320785D+02 0.31631020016375D-05
|
|
3 1 3 2 -0.41700693126503D+02 -0.26178842441435D-06
|
|
1 2 3 2 -0.25212440428078D+02 -0.27518785523513D-05
|
|
2 2 3 2 -0.52063300235096D+02 -0.30408156984419D-05
|
|
3 2 3 2 -0.78375165842996D+02 0.48405723928027D-13
|
|
Band: 8
|
|
1 1 1 1 -0.22613221570391D+02 0.55511151085330D-15
|
|
2 1 1 1 0.30386710543146D+01 -0.36560268644452D-06
|
|
3 1 1 1 -0.31155262997202D+01 0.96416331484125D-06
|
|
1 2 1 1 0.10157064038610D+02 0.25915605383890D-06
|
|
2 2 1 1 -0.52816958093005D+01 -0.10755918705841D-05
|
|
3 2 1 1 -0.61656009872363D+00 0.47001099453642D-06
|
|
1 1 2 1 0.30386710543145D+01 0.36560267650803D-06
|
|
2 1 2 1 -0.49684605669914D+02 0.18013368449487D-13
|
|
3 1 2 1 -0.29966386713997D+02 0.41778588171407D-05
|
|
1 2 2 1 -0.15866277394198D+02 -0.46806450121678D-05
|
|
2 2 2 1 0.10395653029793D+02 -0.26093800173924D-05
|
|
3 2 2 1 -0.11659363390661D+02 -0.33077683034364D-05
|
|
1 1 3 1 -0.31155262997202D+01 -0.96416331514657D-06
|
|
2 1 3 1 -0.29966386713997D+02 -0.41778587996478D-05
|
|
3 1 3 1 -0.33166980322153D+02 0.43021142105963D-14
|
|
1 2 3 1 -0.11751390962704D+02 0.14666005280387D-05
|
|
2 2 3 1 -0.70858928935391D+00 0.10988783158159D-05
|
|
3 2 3 1 -0.12191202933531D+02 0.64521738727419D-06
|
|
1 1 1 2 0.10157064038610D+02 -0.25915604756614D-06
|
|
2 1 1 2 -0.15866277394198D+02 0.46806450228260D-05
|
|
3 1 1 2 -0.11751390962704D+02 -0.14666005317579D-05
|
|
1 2 1 2 -0.49863501504492D+02 -0.17319479153826D-13
|
|
2 2 1 2 0.30989425038303D+01 0.12061995756675D-05
|
|
3 2 1 2 -0.29874140317941D+02 0.96598844293519D-06
|
|
1 1 2 2 -0.52816958093005D+01 0.10755918676420D-05
|
|
2 1 2 2 0.10395653029793D+02 0.26093800094821D-05
|
|
3 1 2 2 -0.70858928935392D+00 -0.10988783153094D-05
|
|
1 2 2 2 0.30989425038304D+01 -0.12061995710601D-05
|
|
2 2 2 2 -0.22313786586514D+02 -0.13877787057791D-14
|
|
3 2 2 2 -0.30232763684202D+01 0.76869366298051D-06
|
|
1 1 3 2 -0.61656009872364D+00 -0.47001098533545D-06
|
|
2 1 3 2 -0.11659363390661D+02 0.33077682981073D-05
|
|
3 1 3 2 -0.12191202933531D+02 -0.64521739526085D-06
|
|
1 2 3 2 -0.29874140317941D+02 -0.96598846339105D-06
|
|
2 2 3 2 -0.30232763684202D+01 -0.76869365636948D-06
|
|
3 2 3 2 -0.33166982547018D+02 -0.81809559007651D-14
|
|
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.13058775710775D+02 -0.13878350193469D-16
|
|
2 1 1 1 -0.10959973793925D+02 -0.23938593718053D-06
|
|
3 1 1 1 -0.35760013111955D+01 0.65823697228548D-05
|
|
1 2 1 1 -0.51083225431998D+01 -0.56724343235507D-05
|
|
2 2 1 1 -0.38607432564534D+01 -0.62894861000287D-05
|
|
3 2 1 1 0.25372289108585D+01 -0.84099623943828D-06
|
|
1 1 2 1 -0.10959973793925D+02 0.23938593718227D-06
|
|
2 1 2 1 -0.13086687686530D+02 0.10235005023676D-15
|
|
3 1 2 1 -0.35883918520219D+01 0.85125408046920D-05
|
|
1 2 2 1 -0.38607429550035D+01 -0.10092307922430D-04
|
|
2 2 2 1 -0.51346403230982D+01 -0.10311824517188D-04
|
|
3 2 2 1 0.25249857608572D+01 -0.28646546194808D-05
|
|
1 1 3 1 -0.35760013111955D+01 -0.65823697227837D-05
|
|
2 1 3 1 -0.35883918520219D+01 -0.85125408048516D-05
|
|
3 1 3 1 -0.60077609976519D+01 -0.13877797695208D-15
|
|
1 2 3 1 0.25372612639255D+01 -0.42221483117627D-05
|
|
2 2 3 1 0.25250153326355D+01 -0.45385373342160D-05
|
|
3 2 3 1 0.22201435671871D+01 0.28901247533488D-06
|
|
1 1 1 2 -0.51083225431998D+01 0.56724343235373D-05
|
|
2 1 1 2 -0.38607429550035D+01 0.10092307922399D-04
|
|
3 1 1 2 0.25372612639255D+01 0.42221483117540D-05
|
|
1 2 1 2 -0.13058811063584D+02 0.62450102627626D-16
|
|
2 2 1 2 -0.10960000194425D+02 0.15756194583236D-06
|
|
3 2 1 2 -0.35760348034124D+01 0.69824616654968D-06
|
|
1 1 2 2 -0.38607432564534D+01 0.62894860999923D-05
|
|
2 1 2 2 -0.51346403230982D+01 0.10311824517206D-04
|
|
3 1 2 2 0.25250153326355D+01 0.45385373341813D-05
|
|
1 2 2 2 -0.10960000194425D+02 -0.15756194583236D-06
|
|
2 2 2 2 -0.13086705853370D+02 0.13878163663723D-16
|
|
3 2 2 2 -0.35884223282164D+01 0.31659978080952D-06
|
|
1 1 3 2 0.25372289108585D+01 0.84099623945238D-06
|
|
2 1 3 2 0.25249857608572D+01 0.28646546194374D-05
|
|
3 1 3 2 0.22201435671871D+01 -0.28901247518222D-06
|
|
1 2 3 2 -0.35760348034124D+01 -0.69824616639703D-06
|
|
2 2 3 2 -0.35884223282164D+01 -0.31659978081472D-06
|
|
3 2 3 2 -0.60077627260250D+01 -0.90205619852528D-16
|
|
Band: 2
|
|
1 1 1 1 -0.61742352484002D+01 -0.15959457605254D-15
|
|
2 1 1 1 -0.33331412654109D+01 -0.30397017384949D-06
|
|
3 1 1 1 -0.28304620913148D+01 0.80803446292895D-06
|
|
1 2 1 1 -0.10871125319780D+01 -0.34639413178955D-06
|
|
2 2 1 1 -0.55386293145866D+00 -0.15126825199474D-06
|
|
3 2 1 1 0.36680881777792D+00 0.23126253918108D-06
|
|
1 1 2 1 -0.33331412654109D+01 0.30397017374887D-06
|
|
2 1 2 1 -0.61812978783449D+01 -0.11796116038981D-15
|
|
3 1 2 1 -0.28308261685767D+01 0.65521913884648D-06
|
|
1 2 2 1 -0.55386269901423D+00 -0.81286429405461D-06
|
|
2 2 2 1 -0.11059329183037D+01 -0.32595149598520D-06
|
|
3 2 2 1 0.37770606924239D+00 0.39189926984041D-06
|
|
1 1 3 1 -0.28304620913148D+01 -0.80803446369223D-06
|
|
2 1 3 1 -0.28308261685767D+01 -0.65521913886469D-06
|
|
3 1 3 1 -0.11853156444050D+02 0.30531141849664D-15
|
|
1 2 3 1 0.36681116006996D+00 -0.90341395176574D-06
|
|
2 2 3 1 0.37770647819407D+00 -0.14360752612620D-05
|
|
3 2 3 1 -0.62263761513918D+00 0.29343457882535D-06
|
|
1 1 1 2 -0.10871125319780D+01 0.34639413174098D-06
|
|
2 1 1 2 -0.55386269901423D+00 0.81286429416433D-06
|
|
3 1 1 2 0.36681116006996D+00 0.90341395117507D-06
|
|
1 2 1 2 -0.61742379979807D+01 -0.11102228567728D-15
|
|
2 2 1 2 -0.33331431087245D+01 0.25377592197568D-06
|
|
3 2 1 2 -0.28304635821356D+01 -0.14382293363287D-06
|
|
1 1 2 2 -0.55386293145866D+00 0.15126825196698D-06
|
|
2 1 2 2 -0.11059329183037D+01 0.32595149620724D-06
|
|
3 1 2 2 0.37770647819407D+00 0.14360752610122D-05
|
|
1 2 2 2 -0.33331431087245D+01 -0.25377592203813D-06
|
|
2 2 2 2 -0.61812988159374D+01 0.83266781884149D-16
|
|
3 2 2 2 -0.28308258533551D+01 -0.96102389861269D-06
|
|
1 1 3 2 0.36680881777792D+00 -0.23126253847332D-06
|
|
2 1 3 2 0.37770606924239D+00 -0.39189926966954D-06
|
|
3 1 3 2 -0.62263761513918D+00 -0.29343457942209D-06
|
|
1 2 3 2 -0.28304635821356D+01 0.14382293285571D-06
|
|
2 2 3 2 -0.28308258533551D+01 0.96102389850167D-06
|
|
3 2 3 2 -0.11853157060034D+02 -0.88817838006008D-15
|
|
Band: 3
|
|
1 1 1 1 -0.31160817988840D+02 -0.63837825746326D-15
|
|
2 1 1 1 -0.29031457773515D+02 0.40654848810643D-06
|
|
3 1 1 1 -0.20549024826807D+02 -0.41420063093103D-06
|
|
1 2 1 1 0.17013199739871D+01 -0.15020218220312D-06
|
|
2 2 1 1 0.17010531946267D+01 0.23291579540777D-06
|
|
3 2 1 1 0.20304307615200D+01 0.52877071459050D-06
|
|
1 1 2 1 -0.29031457773515D+02 -0.40654848841174D-06
|
|
2 1 2 1 -0.37381410091641D+02 0.41633386111133D-16
|
|
3 1 2 1 -0.22764422905275D+02 0.13587802640081D-06
|
|
1 2 2 1 0.17010530481698D+01 -0.79592626931388D-06
|
|
2 2 2 1 0.14423096899721D+01 -0.43333739397682D-07
|
|
3 2 2 1 0.19460517319424D+01 -0.33671072601001D-06
|
|
1 1 3 1 -0.20549024826807D+02 0.41420063105593D-06
|
|
2 1 3 1 -0.22764422905275D+02 -0.13587802441108D-06
|
|
3 1 3 1 -0.23094038864546D+02 -0.13704312332440D-15
|
|
1 2 3 1 0.20304322567423D+01 -0.42235433000334D-06
|
|
2 2 3 1 0.19460526894877D+01 0.19816863744183D-07
|
|
3 2 3 1 0.32128838405364D+01 0.30300893528432D-06
|
|
1 1 1 2 0.17013199739871D+01 0.15020218286925D-06
|
|
2 1 1 2 0.17010530481698D+01 0.79592626878652D-06
|
|
3 1 1 2 0.20304322567423D+01 0.42235432910823D-06
|
|
1 2 1 2 -0.31160820156253D+02 -0.17763568529615D-14
|
|
2 2 1 2 -0.29031459499108D+02 -0.13898178141501D-06
|
|
3 2 1 2 -0.20549026845021D+02 -0.36659571603611D-06
|
|
1 1 2 2 0.17010531946267D+01 -0.23291579623003D-06
|
|
2 1 2 2 0.14423096899721D+01 0.43333739938915D-07
|
|
3 1 2 2 0.19460526894877D+01 -0.19816865978507D-07
|
|
1 2 2 2 -0.29031459499108D+02 0.13898178219217D-06
|
|
2 2 2 2 -0.37381412224134D+02 -0.44408912343352D-15
|
|
3 2 2 2 -0.22764424453381D+02 -0.19190106088362D-06
|
|
1 1 3 2 0.20304307615200D+01 -0.52877071371620D-06
|
|
2 1 3 2 0.19460517319424D+01 0.33671072781412D-06
|
|
3 1 3 2 0.32128838405364D+01 -0.30300893445166D-06
|
|
1 2 3 2 -0.20549026845021D+02 0.36659571581407D-06
|
|
2 2 3 2 -0.22764424453381D+02 0.19190106110567D-06
|
|
3 2 3 2 -0.23094039625961D+02 0.42887376056314D-22
|
|
Band: 4
|
|
1 1 1 1 -0.16956508033142D+02 -0.39031273300088D-15
|
|
2 1 1 1 0.13013454453723D+01 -0.20444748768740D-05
|
|
3 1 1 1 -0.68795935539452D+01 -0.11082767187571D-05
|
|
1 2 1 1 0.53205313409225D+01 0.54564681717515D-06
|
|
2 2 1 1 -0.13353752589634D+01 -0.19329553574983D-06
|
|
3 2 1 1 0.13686060252141D+00 -0.68312251283174D-07
|
|
1 1 2 1 0.13013454453723D+01 0.20444748769573D-05
|
|
2 1 2 1 -0.13010115872747D+02 0.13877771453367D-15
|
|
3 1 2 1 -0.47250893087062D+01 -0.63480000950119D-06
|
|
1 2 2 1 -0.13353776737705D+01 0.18982524572448D-05
|
|
2 2 2 1 0.32970452171067D+01 0.86963519576300D-06
|
|
3 2 2 1 0.28213485371625D+00 -0.65410832600626D-06
|
|
1 1 3 1 -0.68795935539452D+01 0.11082767194302D-05
|
|
2 1 3 1 -0.47250893087062D+01 0.63480000966772D-06
|
|
3 1 3 1 -0.12568471903888D+02 0.20816590463360D-16
|
|
1 2 3 1 0.13685232219774D+00 0.15824293334746D-05
|
|
2 2 3 1 0.28213238552676D+00 0.22095094093171D-05
|
|
3 2 3 1 0.23867383950173D+01 0.12125682097774D-06
|
|
1 1 1 2 0.53205313409225D+01 -0.54564681846188D-06
|
|
2 1 1 2 -0.13353776737705D+01 -0.18982524571568D-05
|
|
3 1 1 2 0.13685232219774D+00 -0.15824293334191D-05
|
|
1 2 1 2 -0.16956497459982D+02 0.20077002287080D-22
|
|
2 2 1 2 0.13013508308156D+01 -0.11267599788585D-05
|
|
3 2 1 2 -0.68795858785792D+01 0.20374537869524D-06
|
|
1 1 2 2 -0.13353752589634D+01 0.19329553599616D-06
|
|
2 1 2 2 0.32970452171067D+01 -0.86963519567973D-06
|
|
3 1 2 2 0.28213238552676D+00 -0.22095094097230D-05
|
|
1 2 2 2 0.13013508308156D+01 0.11267599788030D-05
|
|
2 2 2 2 -0.13010111938576D+02 0.13877783173361D-15
|
|
3 2 2 2 -0.47250876589374D+01 0.83532643542873D-06
|
|
1 1 3 2 0.13686060252142D+00 0.68312251484401D-07
|
|
2 1 3 2 0.28213485371625D+00 0.65410832588136D-06
|
|
3 1 3 2 0.23867383950173D+01 -0.12125682215042D-06
|
|
1 2 3 2 -0.68795858785792D+01 -0.20374537736297D-06
|
|
2 2 3 2 -0.47250876589374D+01 -0.83532643606017D-06
|
|
3 2 3 2 -0.12568471498300D+02 0.22204465668198D-15
|
|
Band: 5
|
|
1 1 1 1 -0.22632102468564D+02 -0.25326988293552D-15
|
|
2 1 1 1 -0.24863308362466D+01 -0.82413549889788D-06
|
|
3 1 1 1 -0.61184585014559D+01 -0.16825596672331D-06
|
|
1 2 1 1 -0.95204802292632D+00 -0.19159904486275D-06
|
|
2 2 1 1 -0.64561118908441D+01 0.12469592838587D-05
|
|
3 2 1 1 -0.13634261061802D+01 0.45880375126046D-06
|
|
1 1 2 1 -0.24863308362466D+01 0.82413549860645D-06
|
|
2 1 2 1 -0.20691790133821D+02 0.11102224897850D-15
|
|
3 1 2 1 -0.48870995155340D+01 -0.37851748482830D-06
|
|
1 2 2 1 -0.64561130297309D+01 0.10891313215044D-05
|
|
2 2 2 1 -0.24296657390574D+01 0.19763306133033D-05
|
|
3 2 2 1 -0.92228502267983D+00 0.13718103506292D-05
|
|
1 1 3 1 -0.61184585014559D+01 0.16825596683433D-06
|
|
2 1 3 1 -0.48870995155340D+01 0.37851748510585D-06
|
|
3 1 3 1 -0.10652140751234D+02 0.81878939359706D-15
|
|
1 2 3 1 -0.13634309298944D+01 0.48931322135032D-06
|
|
2 2 3 1 -0.92228984683423D+00 0.17293196838241D-05
|
|
3 2 3 1 -0.21305386557095D+01 0.60644858521080D-06
|
|
1 1 1 2 -0.95204802292632D+00 0.19159904397457D-06
|
|
2 1 1 2 -0.64561130297309D+01 -0.10891313232946D-05
|
|
3 1 1 2 -0.13634309298944D+01 -0.48931321993479D-06
|
|
1 2 1 2 -0.22632093695957D+02 -0.39968027037579D-14
|
|
2 2 1 2 -0.24863246760305D+01 0.69986435552801D-07
|
|
3 2 1 2 -0.61184513240848D+01 -0.15567340283044D-06
|
|
1 1 2 2 -0.64561118908441D+01 -0.12469592833973D-05
|
|
2 1 2 2 -0.24296657390574D+01 -0.19763306133961D-05
|
|
3 1 2 2 -0.92228984683423D+00 -0.17293196833800D-05
|
|
1 2 2 2 -0.24863246760305D+01 -0.69986433387866D-07
|
|
2 2 2 2 -0.20691782974140D+02 -0.57419352166792D-15
|
|
3 2 2 2 -0.48870908540600D+01 0.11489970829530D-05
|
|
1 1 3 2 -0.13634261061802D+01 -0.45880375241232D-06
|
|
2 1 3 2 -0.92228502267983D+00 -0.13718103505052D-05
|
|
3 1 3 2 -0.21305386557095D+01 -0.60644858487773D-06
|
|
1 2 3 2 -0.61184513240848D+01 0.15567340283044D-06
|
|
2 2 3 2 -0.48870908540600D+01 -0.11489970831889D-05
|
|
3 2 3 2 -0.10652133668310D+02 -0.44408918864427D-15
|
|
Band: 6
|
|
1 1 1 1 -0.33674557666493D+02 0.11934898556540D-14
|
|
2 1 1 1 -0.25756931935525D+02 0.20340736056772D-05
|
|
3 1 1 1 -0.22358723117667D+02 -0.24898585727931D-05
|
|
1 2 1 1 0.42535068521610D+01 0.10019436505563D-05
|
|
2 2 1 1 0.90981587986949D+01 0.30397153487329D-05
|
|
3 2 1 1 0.28488232535768D+01 0.14648900131379D-05
|
|
1 1 2 1 -0.25756931935525D+02 -0.20340736024575D-05
|
|
2 1 2 1 -0.36761768771665D+02 0.61062262605373D-15
|
|
3 1 2 1 -0.23579279053767D+02 -0.31556999271401D-05
|
|
1 2 2 1 0.90981563339514D+01 0.74379098571167D-06
|
|
2 2 2 1 0.45304800441510D+01 0.36819113820889D-05
|
|
3 2 2 1 0.23968764405406D+01 0.12000880772603D-05
|
|
1 1 3 1 -0.22358723117667D+02 0.24898585729318D-05
|
|
2 1 3 1 -0.23579279053767D+02 0.31556999261964D-05
|
|
3 1 3 1 -0.23197945273770D+02 -0.44408921390842D-15
|
|
1 2 3 1 0.28488220587731D+01 -0.13020475899583D-06
|
|
2 2 3 1 0.23968769032891D+01 0.13145901619783D-05
|
|
3 2 3 1 0.22533868363634D+01 0.72702696400671D-07
|
|
1 1 1 2 0.42535068521610D+01 -0.10019436536996D-05
|
|
2 1 1 2 0.90981563339514D+01 -0.74379098704393D-06
|
|
3 1 1 2 0.28488220587731D+01 0.13020475806602D-06
|
|
1 2 1 2 -0.33674558695227D+02 0.88817850289196D-15
|
|
2 2 1 2 -0.25756934866636D+02 0.18226638538487D-06
|
|
3 2 1 2 -0.22358723050104D+02 -0.66546645679319D-06
|
|
1 1 2 2 0.90981587986949D+01 -0.30397153494372D-05
|
|
2 1 2 2 0.45304800441510D+01 -0.36819113852252D-05
|
|
3 1 2 2 0.23968769032891D+01 -0.13145901613399D-05
|
|
1 2 2 2 -0.25756934866636D+02 -0.18226638532936D-06
|
|
2 2 2 2 -0.36761774601089D+02 -0.44408917569413D-15
|
|
3 2 2 2 -0.23579280415403D+02 -0.25807724578046D-06
|
|
1 1 3 2 0.28488232535768D+01 -0.14648900137208D-05
|
|
2 1 3 2 0.23968764405406D+01 -0.12000880762611D-05
|
|
3 1 3 2 0.22533868363634D+01 -0.72702694582680D-07
|
|
1 2 3 2 -0.22358723050105D+02 0.66546645523888D-06
|
|
2 2 3 2 -0.23579280415403D+02 0.25807724505881D-06
|
|
3 2 3 2 -0.23197947186957D+02 0.44408908445304D-15
|
|
Band: 7
|
|
1 1 1 1 -0.16192821087665D+02 -0.31918913734392D-15
|
|
2 1 1 1 -0.68647867408992D+01 0.24801948763057D-05
|
|
3 1 1 1 -0.63478085269478D+01 -0.64963207478166D-06
|
|
1 2 1 1 0.49641062428140D+00 -0.11096486371548D-05
|
|
2 2 1 1 0.86193822128733D+01 -0.74661904785073D-07
|
|
3 2 1 1 0.22902593840474D+01 -0.13516521867925D-05
|
|
1 1 2 1 -0.68647867408992D+01 -0.24801948763334D-05
|
|
2 1 2 1 -0.16651056988627D+02 0.52735593022693D-15
|
|
3 1 2 1 -0.73110830162813D+01 -0.30229333102392D-05
|
|
1 2 2 1 0.86193810142512D+01 0.25836032292158D-05
|
|
2 2 2 1 0.89717035746474D-01 0.21397075458930D-05
|
|
3 2 2 1 0.13697664344280D+01 0.17833138435935D-05
|
|
1 1 3 1 -0.63478085269478D+01 0.64963207344939D-06
|
|
2 1 3 1 -0.73110830162813D+01 0.30229333106833D-05
|
|
3 1 3 1 -0.69491913731136D+01 -0.17347272396486D-16
|
|
1 2 3 1 0.22902588379626D+01 -0.82642552566638D-06
|
|
2 2 3 1 0.13697644564040D+01 -0.39607519925833D-07
|
|
3 2 3 1 0.98774522327176D+00 -0.89241169955692D-06
|
|
1 1 1 2 0.49641062428140D+00 0.11096486384594D-05
|
|
2 1 1 2 0.86193810142512D+01 -0.25836032286468D-05
|
|
3 1 1 2 0.22902588379626D+01 0.82642552552760D-06
|
|
1 2 1 2 -0.16192817402733D+02 0.49960031379793D-15
|
|
2 2 1 2 -0.68647845110189D+01 -0.55669547242297D-06
|
|
3 2 1 2 -0.63478067271454D+01 -0.10203994508968D-05
|
|
1 1 2 2 0.86193822128733D+01 0.74661904701807D-07
|
|
2 1 2 2 0.89717035746474D-01 -0.21397075462399D-05
|
|
3 1 2 2 0.13697644564040D+01 0.39607519509499D-07
|
|
1 2 2 2 -0.68647845110189D+01 0.55669547190949D-06
|
|
2 2 2 2 -0.16651057361839D+02 -0.22204464866705D-15
|
|
3 2 2 2 -0.73110793680781D+01 0.46700085335932D-07
|
|
1 1 3 2 0.22902593840474D+01 0.13516521874309D-05
|
|
2 1 3 2 0.13697664344280D+01 -0.17833138437184D-05
|
|
3 1 3 2 0.98774522327176D+00 0.89241169991775D-06
|
|
1 2 3 2 -0.63478067271454D+01 0.10203994506747D-05
|
|
2 2 3 2 -0.73110793680781D+01 -0.46700084697554D-07
|
|
3 2 3 2 -0.69491928319962D+01 0.10616507817476D-14
|
|
Band: 8
|
|
1 1 1 1 -0.27939137469682D+01 0.17347237720079D-17
|
|
2 1 1 1 -0.25263755121312D+00 0.13566050222025D-05
|
|
3 1 1 1 -0.87423400105007D+01 0.46138907740306D-06
|
|
1 2 1 1 0.46714898783521D+00 0.47385104806173D-06
|
|
2 2 1 1 0.33812461842911D+01 -0.66923099543116D-06
|
|
3 2 1 1 0.25288915453178D+01 -0.11812393272047D-05
|
|
1 1 2 1 -0.25263755121312D+00 -0.13566050220394D-05
|
|
2 1 2 1 -0.27796556819181D+01 0.21163620518261D-15
|
|
3 1 2 1 -0.85345746816573D+01 -0.26484806438638D-06
|
|
1 2 2 1 0.33812465448398D+01 0.10326424620159D-05
|
|
2 2 2 1 0.45279248529687D+00 0.23493702831038D-06
|
|
3 2 2 1 0.23209135500785D+01 -0.69626693717087D-06
|
|
1 1 3 1 -0.87423400105007D+01 -0.46138907668488D-06
|
|
2 1 3 1 -0.85345746816573D+01 0.26484806391453D-06
|
|
3 1 3 1 -0.28762789054250D+02 -0.41633356971435D-15
|
|
1 2 3 1 0.25288834297055D+01 0.25785955400155D-05
|
|
2 2 3 1 0.23209077181528D+01 0.26015741336026D-05
|
|
3 2 3 1 -0.72797022342124D+01 0.56738658694410D-06
|
|
1 1 1 2 0.46714898783521D+00 -0.47385104833235D-06
|
|
2 1 1 2 0.33812465448398D+01 -0.10326424620437D-05
|
|
3 1 1 2 0.25288834297055D+01 -0.25785955366744D-05
|
|
1 2 1 2 -0.27939085023840D+01 -0.11878856837435D-22
|
|
2 2 1 2 -0.25262879457032D+00 0.11288118586149D-05
|
|
3 2 1 2 -0.87423351146781D+01 0.18884064695368D-05
|
|
1 1 2 2 0.33812461842911D+01 0.66923099541034D-06
|
|
2 1 2 2 0.45279248529686D+00 -0.23493702837283D-06
|
|
3 1 2 2 0.23209077181528D+01 -0.26015741329990D-05
|
|
1 2 2 2 -0.25262879457032D+00 -0.11288118589619D-05
|
|
2 2 2 2 -0.27796457048708D+01 -0.30531130932465D-15
|
|
3 2 2 2 -0.85345717499900D+01 0.17617772687647D-05
|
|
1 1 3 2 0.25288915453178D+01 0.11812393265976D-05
|
|
2 1 3 2 0.23209135500785D+01 0.69626693705290D-06
|
|
3 1 3 2 -0.72797022342124D+01 -0.56738658185096D-06
|
|
1 2 3 2 -0.87423351146781D+01 -0.18884064708691D-05
|
|
2 2 3 2 -0.85345717499900D+01 -0.17617772716512D-05
|
|
3 2 3 2 -0.28762788617913D+02 0.90996329729369D-22
|
|
K-point: 5.00000000E-01 0.00000000E+00 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.91439817996705D+01 -0.66440646144283D-16
|
|
2 1 1 1 -0.25371884684874D+01 0.27753410884023D-03
|
|
3 1 1 1 -0.61660927215292D+01 0.41455269421035D-04
|
|
1 2 1 1 -0.13381019150387D-01 0.31486711217785D-03
|
|
2 2 1 1 0.59945874228119D+00 -0.10132450446582D-03
|
|
3 2 1 1 0.52257989904131D-01 0.30713722664457D-03
|
|
1 1 2 1 -0.25371884684874D+01 -0.27753410884021D-03
|
|
2 1 2 1 -0.84511805043383D+01 0.69058579493459D-16
|
|
3 1 2 1 -0.20388180981926D+01 -0.27444837740582D-03
|
|
1 2 2 1 0.61559379387470D+00 -0.10837596878132D-03
|
|
2 2 2 1 -0.31396735256626D+01 -0.23173683030886D-03
|
|
3 2 2 1 -0.16052003466687D-01 -0.12878559838899D-03
|
|
1 1 3 1 -0.61660927215292D+01 -0.41455269420760D-04
|
|
2 1 3 1 -0.20388180981926D+01 0.27444837740565D-03
|
|
3 1 3 1 -0.81794209639943D+01 0.56379128257205D-15
|
|
1 2 3 1 0.69073367077769D-01 0.29504690506301D-03
|
|
2 2 3 1 0.20839546780274D+00 -0.13097765776206D-03
|
|
3 2 3 1 0.50501747454893D-01 0.28448961801359D-03
|
|
1 1 1 2 -0.13381019150386D-01 -0.31486711217814D-03
|
|
2 1 1 2 0.61559379387470D+00 0.10837596878150D-03
|
|
3 1 1 2 0.69073367077769D-01 -0.29504690506281D-03
|
|
1 2 1 2 -0.85176535765454D+01 0.28633212595973D-15
|
|
2 2 1 2 -0.25344301928323D+01 -0.29721238992550D-03
|
|
3 2 1 2 -0.55349540844799D+01 -0.24127608798473D-04
|
|
1 1 2 2 0.59945874228118D+00 0.10132450446567D-03
|
|
2 1 2 2 -0.31396735256626D+01 0.23173683030899D-03
|
|
3 1 2 2 0.20839546780274D+00 0.13097765776200D-03
|
|
1 2 2 2 -0.25344301928323D+01 0.29721238992572D-03
|
|
2 2 2 2 -0.82577171699175D+01 -0.68214317366593D-17
|
|
3 2 2 2 -0.20748803868576D+01 0.29597974759682D-03
|
|
1 1 3 2 0.52257989904132D-01 -0.30713722664497D-03
|
|
2 1 3 2 -0.16052003466687D-01 0.12878559838911D-03
|
|
3 1 3 2 0.50501747454893D-01 -0.28448961801351D-03
|
|
1 2 3 2 -0.55349540844799D+01 0.24127608798925D-04
|
|
2 2 3 2 -0.20748803868576D+01 -0.29597974759661D-03
|
|
3 2 3 2 -0.73651162707746D+01 0.22513188705398D-15
|
|
Band: 2
|
|
1 1 1 1 -0.85306210929729D+01 0.20782081547262D-15
|
|
2 1 1 1 -0.29944757782503D+01 -0.27064865612242D-04
|
|
3 1 1 1 -0.59768464892502D+01 -0.29388040319402D-03
|
|
1 2 1 1 0.13385245417280D-01 -0.31180586483356D-03
|
|
2 2 1 1 0.77291109100994D-01 -0.16137732650045D-04
|
|
3 2 1 1 0.62449819318297D+00 -0.41767870727494D-03
|
|
1 1 2 1 -0.29944757782503D+01 0.27064865613315D-04
|
|
2 1 2 1 -0.48256382913253D+01 -0.55510826308034D-16
|
|
3 1 2 1 -0.25241207410937D+01 0.19499551268887D-04
|
|
1 2 2 1 0.71124982287425D-01 -0.16348674138129D-04
|
|
2 2 2 1 0.84211657400235D-01 0.30617954299433D-05
|
|
3 2 2 1 0.70277292942424D+00 0.10421290020998D-05
|
|
1 1 3 1 -0.59768464892502D+01 0.29388040319450D-03
|
|
2 1 3 1 -0.25241207410937D+01 -0.19499551268298D-04
|
|
3 1 3 1 -0.11708671197205D+02 -0.77021571848537D-17
|
|
1 2 3 1 0.61763973915991D+00 -0.39750142873740D-03
|
|
2 2 3 1 0.46835712821895D+00 0.29438965862724D-04
|
|
3 2 3 1 0.43684298494733D+01 -0.27674166624111D-03
|
|
1 1 1 2 0.13385245417281D-01 0.31180586483436D-03
|
|
2 1 1 2 0.71124982287425D-01 0.16348674138184D-04
|
|
3 1 1 2 0.61763973915991D+00 0.39750142873770D-03
|
|
1 2 1 2 -0.91313789517706D+01 -0.21570979621337D-15
|
|
2 2 1 2 -0.29655404021369D+01 0.48301325209160D-04
|
|
3 2 1 2 -0.66141016925236D+01 0.27566417634692D-03
|
|
1 1 2 2 0.77291109100993D-01 0.16137732649967D-04
|
|
2 1 2 2 0.84211657400235D-01 -0.30617954296726D-05
|
|
3 1 2 2 0.46835712821895D+00 -0.29438965862793D-04
|
|
1 2 2 2 -0.29655404021369D+01 -0.48301325209275D-04
|
|
2 2 2 2 -0.49781116527524D+01 -0.90200273289796D-16
|
|
3 2 2 2 -0.24787735185130D+01 -0.47318595017432D-04
|
|
1 1 3 2 0.62449819318297D+00 0.41767870727453D-03
|
|
2 1 3 2 0.70277292942424D+00 -0.10421290020305D-05
|
|
3 1 3 2 0.43684298494733D+01 0.27674166624155D-03
|
|
1 2 3 2 -0.66141016925236D+01 -0.27566417634648D-03
|
|
2 2 3 2 -0.24787735185130D+01 0.47318595017334D-04
|
|
3 2 3 2 -0.12519766597290D+02 0.37296577773066D-15
|
|
Band: 3
|
|
1 1 1 1 -0.15200557350551D+02 0.10328921303282D-14
|
|
2 1 1 1 -0.15625901685872D+02 -0.38688556533549D-03
|
|
3 1 1 1 -0.94502476175097D+01 0.10962937098550D-04
|
|
1 2 1 1 -0.27560819083250D+01 0.69206657093366D-04
|
|
2 2 1 1 -0.88061488759596D+00 0.45429406886054D-03
|
|
3 2 1 1 -0.11138820856667D+01 -0.15386146822921D-04
|
|
1 1 2 1 -0.15625901685872D+02 0.38688556533690D-03
|
|
2 1 2 1 -0.32233710043318D+02 0.65878443090085D-16
|
|
3 1 2 1 -0.14602620401312D+02 0.37728692698370D-03
|
|
1 2 2 1 -0.13574527587510D+01 0.55532547143260D-03
|
|
2 2 2 1 -0.24942896369860D+01 0.92136608578388D-03
|
|
3 2 2 1 -0.14755304532863D+01 0.38797741895807D-03
|
|
1 1 3 1 -0.94502476175097D+01 -0.10962937097666D-04
|
|
2 1 3 1 -0.14602620401312D+02 -0.37728692698366D-03
|
|
3 1 3 1 -0.13201175014759D+02 0.15947377898041D-15
|
|
1 2 3 1 -0.17165326089879D+01 0.45440190673749D-04
|
|
2 2 3 1 -0.15854459641101D+01 0.41108637394701D-03
|
|
3 2 3 1 0.20148781613123D+00 -0.31404505143186D-04
|
|
1 1 1 2 -0.27560819083250D+01 -0.69206657093588D-04
|
|
2 1 1 2 -0.13574527587510D+01 -0.55532547143230D-03
|
|
3 1 1 2 -0.17165326089879D+01 -0.45440190673618D-04
|
|
1 2 1 2 -0.12305039368839D+02 0.41841613352332D-15
|
|
2 2 1 2 -0.13139183261415D+02 0.47985234045509D-03
|
|
3 2 1 2 -0.89209627989492D+01 -0.93453858683901D-04
|
|
1 1 2 2 -0.88061488759596D+00 -0.45429406886007D-03
|
|
2 1 2 2 -0.24942896369860D+01 -0.92136608578428D-03
|
|
3 1 2 2 -0.15854459641101D+01 -0.41108637394547D-03
|
|
1 2 2 2 -0.13139183261415D+02 -0.47985234045369D-03
|
|
2 2 2 2 -0.32395473150045D+02 0.31286081792596D-15
|
|
3 2 2 2 -0.16506361498755D+02 -0.48875347544467D-03
|
|
1 1 3 2 -0.11138820856667D+01 0.15386146822475D-04
|
|
2 1 3 2 -0.14755304532863D+01 -0.38797741896012D-03
|
|
3 1 3 2 0.20148781613123D+00 0.31404505143079D-04
|
|
1 2 3 2 -0.89209627989492D+01 0.93453858684619D-04
|
|
2 2 3 2 -0.16506361498755D+02 0.48875347544534D-03
|
|
3 2 3 2 -0.15440838922329D+02 0.15953814174393D-15
|
|
Band: 4
|
|
1 1 1 1 -0.12325003348571D+02 -0.22663347720928D-15
|
|
2 1 1 1 -0.33801500781899D+01 -0.83295429916599D-04
|
|
3 1 1 1 0.93075828926411D+00 0.45751160373848D-03
|
|
1 2 1 1 0.27560892619219D+01 -0.68451961495654D-04
|
|
2 2 1 1 0.10632512684952D+01 -0.13659007974243D-04
|
|
3 2 1 1 0.12965101592413D+01 0.45145478208905D-03
|
|
1 1 2 1 -0.33801500781899D+01 0.83295429916407D-04
|
|
2 1 2 1 -0.98669256665084D+01 0.87149204008990D-16
|
|
3 1 2 1 -0.67181665780523D+01 0.72314796337634D-04
|
|
1 2 2 1 0.15993760663085D+01 -0.76007197238795D-04
|
|
2 2 2 1 -0.27581969126860D+00 -0.30477759821400D-05
|
|
3 2 2 1 0.17174481415411D+01 0.69725336796269D-04
|
|
1 1 3 1 0.93075828926412D+00 -0.45751160373881D-03
|
|
2 1 3 1 -0.67181665780523D+01 -0.72314796337313D-04
|
|
3 1 3 1 -0.18412919954889D+02 0.81179626322784D-15
|
|
1 2 3 1 0.19584613216301D+01 0.39983452068486D-03
|
|
2 2 3 1 0.17680733269044D+01 0.95266467277496D-05
|
|
3 2 3 1 0.29931680678338D+01 0.52185487040744D-05
|
|
1 1 1 2 0.27560892619219D+01 0.68451961496569D-04
|
|
2 1 1 2 0.15993760663085D+01 0.76007197238882D-04
|
|
3 1 1 2 0.19584613216301D+01 -0.39983452068456D-03
|
|
1 2 1 2 -0.15179118055372D+02 0.12037329658391D-15
|
|
2 2 1 2 -0.57746535916138D+01 0.71518533801982D-05
|
|
3 2 1 2 0.35064437500784D+00 -0.39322655047673D-03
|
|
1 1 2 2 0.10632512684952D+01 0.13659007974046D-04
|
|
2 1 2 2 -0.27581969126860D+00 0.30477759822012D-05
|
|
3 1 2 2 0.17680733269044D+01 -0.95266467282817D-05
|
|
1 2 2 2 -0.57746535916138D+01 -0.71518533800866D-05
|
|
2 2 2 2 -0.95403642531181D+01 0.42500783277686D-16
|
|
3 2 2 2 -0.47418087024708D+01 -0.10280264225632D-04
|
|
1 1 3 2 0.12965101592413D+01 -0.45145478208868D-03
|
|
2 1 3 2 0.17174481415411D+01 -0.69725336796008D-04
|
|
3 1 3 2 0.29931680678338D+01 -0.52185487037830D-05
|
|
1 2 3 2 0.35064437500784D+00 0.39322655047674D-03
|
|
2 2 3 2 -0.47418087024708D+01 0.10280264225686D-04
|
|
3 2 3 2 -0.16151483399168D+02 -0.13390842083234D-14
|
|
Band: 5
|
|
1 1 1 1 -0.73839815034215D+01 0.36069771019439D-15
|
|
2 1 1 1 -0.49601710682932D+01 -0.39054108809348D-02
|
|
3 1 1 1 -0.49195741845847D+01 -0.22114802020588D-03
|
|
1 2 1 1 -0.26200720961443D+00 0.10804610437768D-01
|
|
2 2 1 1 -0.73484034833060D+00 0.23196347917029D-01
|
|
3 2 1 1 -0.84935624243571D+00 0.11722052893808D-01
|
|
1 1 2 1 -0.49601710682932D+01 0.39054108809349D-02
|
|
2 1 2 1 -0.89577645779449D+01 -0.31038516902588D-17
|
|
3 1 2 1 -0.39131045889750D+01 0.39371142682948D-02
|
|
1 2 2 1 -0.72533850367140D+00 0.23668766457433D-01
|
|
2 2 2 1 0.12305706673526D+00 0.49331401896896D-01
|
|
3 2 2 1 -0.88546897775988D+00 0.25618511585357D-01
|
|
1 1 3 1 -0.49195741845847D+01 0.22114802020467D-03
|
|
2 1 3 1 -0.39131045889750D+01 -0.39371142682939D-02
|
|
3 1 3 1 -0.62131705270834D+01 -0.10310481092193D-14
|
|
1 2 3 1 -0.90473554578683D+00 0.12232239921901D-01
|
|
2 2 3 1 -0.89938861340640D+00 0.26176533556447D-01
|
|
3 2 3 1 -0.14320945860244D+01 0.13266983332649D-01
|
|
1 1 1 2 -0.26200720961443D+00 -0.10804610437768D-01
|
|
2 1 1 2 -0.72533850367140D+00 -0.23668766457433D-01
|
|
3 1 1 2 -0.90473554578683D+00 -0.12232239921901D-01
|
|
1 2 1 2 -0.71869558673129D+01 0.43982437246640D-15
|
|
2 2 1 2 -0.49504527901598D+01 0.40945721957758D-02
|
|
3 2 1 2 -0.48205195353333D+01 0.16309489300357D-03
|
|
1 1 2 2 -0.73484034833060D+00 -0.23196347917029D-01
|
|
2 1 2 2 0.12305706673526D+00 -0.49331401896896D-01
|
|
3 1 2 2 -0.89938861340640D+00 -0.26176533556447D-01
|
|
1 2 2 2 -0.49504527901598D+01 -0.40945721957754D-02
|
|
2 2 2 2 -0.90878976972109D+01 -0.20150097941755D-15
|
|
3 2 2 2 -0.40436948949576D+01 -0.40908257815219D-02
|
|
1 1 3 2 -0.84935624243571D+00 -0.11722052893808D-01
|
|
2 1 3 2 -0.88546897775988D+00 -0.25618511585356D-01
|
|
3 1 3 2 -0.14320945860244D+01 -0.13266983332649D-01
|
|
1 2 3 2 -0.48205195353333D+01 -0.16309489300415D-03
|
|
2 2 3 2 -0.40436948949576D+01 0.40908257815221D-02
|
|
3 2 3 2 -0.61657715835145D+01 -0.10396892789904D-14
|
|
Band: 6
|
|
1 1 1 1 -0.71753665119930D+01 0.20708841086580D-15
|
|
2 1 1 1 -0.24065502231845D+01 0.10172976072454D-03
|
|
3 1 1 1 -0.22734224633420D+01 0.40574130161766D-02
|
|
1 2 1 1 0.26190369153585D+00 -0.10784399106630D-01
|
|
2 2 1 1 -0.63248847038534D+00 0.14907482344372D-02
|
|
3 2 1 1 -0.51791820305766D+00 0.13007033297489D-01
|
|
1 1 2 1 -0.24065502231845D+01 -0.10172976072435D-03
|
|
2 1 2 1 -0.37351626345695D+01 0.27754528450937D-15
|
|
3 1 2 1 -0.14430621856927D+01 -0.22059447488914D-03
|
|
1 2 2 1 -0.59790626916710D+00 0.90071411850207D-03
|
|
2 2 2 1 -0.59996562320910D-01 -0.12159073271906D-03
|
|
3 2 2 1 -0.43790246267954D+00 -0.10461918610796D-02
|
|
1 1 3 1 -0.22734224633420D+01 -0.40574130161768D-02
|
|
2 1 3 1 -0.14430621856927D+01 0.22059447488942D-03
|
|
3 1 3 1 -0.63057157093074D+01 -0.32888975339632D-16
|
|
1 2 3 1 -0.41844129399887D+00 0.12352626048309D-01
|
|
2 2 3 1 -0.46793477086081D+00 -0.16075641721686D-02
|
|
3 2 3 1 -0.13216880069266D+01 -0.13377414849937D-01
|
|
1 1 1 2 0.26190369153585D+00 0.10784399106630D-01
|
|
2 1 1 2 -0.59790626916710D+00 -0.90071411850232D-03
|
|
3 1 1 2 -0.41844129399887D+00 -0.12352626048310D-01
|
|
1 2 1 2 -0.73906045255574D+01 0.15115030674579D-15
|
|
2 2 1 2 -0.24193108045693D+01 -0.26919491492687D-03
|
|
3 2 1 2 -0.23873157161277D+01 -0.40446438779464D-02
|
|
1 1 2 2 -0.63248847038534D+00 -0.14907482344371D-02
|
|
2 1 2 2 -0.59996562320910D-01 0.12159073271904D-03
|
|
3 1 2 2 -0.46793477086081D+00 0.16075641721686D-02
|
|
1 2 2 2 -0.24193108045693D+01 0.26919491492719D-03
|
|
2 2 2 2 -0.37328010314502D+01 0.69458353148771D-16
|
|
3 2 2 2 -0.14372299445240D+01 0.23501568682131D-03
|
|
1 1 3 2 -0.51791820305766D+00 -0.13007033297488D-01
|
|
2 1 3 2 -0.43790246267954D+00 0.10461918610795D-02
|
|
3 1 3 2 -0.13216880069266D+01 0.13377414849938D-01
|
|
1 2 3 2 -0.23873157161277D+01 0.40446438779476D-02
|
|
2 2 3 2 -0.14372299445240D+01 -0.23501568682108D-03
|
|
3 2 3 2 -0.64930417146099D+01 0.76222410863672D-15
|
|
Band: 7
|
|
1 1 1 1 -0.37897724201376D+02 -0.32609288799488D-15
|
|
2 1 1 1 -0.45439382911791D+02 -0.62030190667279D-01
|
|
3 1 1 1 -0.19901158343671D+02 -0.16830660557338D-01
|
|
1 2 1 1 -0.63684137970117D+01 0.32620083859027D-02
|
|
2 2 1 1 -0.43605548931632D+01 -0.58976648802864D-01
|
|
3 2 1 1 -0.41568889823851D+01 0.16557444391453D-01
|
|
1 1 2 1 -0.45439382911791D+02 0.62030190667280D-01
|
|
2 1 2 1 -0.75509304715431D+02 0.36133113371203D-15
|
|
3 1 2 1 -0.31079865110128D+02 0.62169056446141D-01
|
|
1 2 2 1 -0.63428135227885D+01 -0.98159825040139D-01
|
|
2 2 2 1 0.65684668273480D+00 -0.16020389048273D+00
|
|
3 2 2 1 -0.66738807610145D+01 -0.61561003257421D-01
|
|
1 1 3 1 -0.19901158343671D+02 0.16830660557338D-01
|
|
2 1 3 1 -0.31079865110128D+02 -0.62169056446141D-01
|
|
3 1 3 1 -0.22973860495981D+02 0.17797552257473D-15
|
|
1 2 3 1 -0.64465922975323D+01 -0.23366918152891D-01
|
|
2 2 3 1 -0.43450512564444D+01 -0.10257976587269D+00
|
|
3 2 3 1 -0.40327907363334D+01 -0.11118850718190D-03
|
|
1 1 1 2 -0.63684137970117D+01 -0.32620083859000D-02
|
|
2 1 1 2 -0.63428135227885D+01 0.98159825040141D-01
|
|
3 1 1 2 -0.64465922975323D+01 0.23366918152890D-01
|
|
1 2 1 2 -0.22792087887262D+02 0.95828340997098D-15
|
|
2 2 1 2 -0.30070452863258D+02 0.10175510355315D+00
|
|
3 2 1 2 -0.19737020443813D+02 -0.22959921414016D-01
|
|
1 1 2 2 -0.43605548931632D+01 0.58976648802869D-01
|
|
2 1 2 2 0.65684668273481D+00 0.16020389048275D+00
|
|
3 1 2 2 -0.43450512564444D+01 0.10257976587269D+00
|
|
1 2 2 2 -0.30070452863258D+02 -0.10175510355315D+00
|
|
2 2 2 2 -0.76187115337007D+02 -0.22821312998315D-14
|
|
3 2 2 2 -0.47014281954101D+02 -0.10129145660763D+00
|
|
1 1 3 2 -0.41568889823851D+01 -0.16557444391447D-01
|
|
2 1 3 2 -0.66738807610145D+01 0.61561003257426D-01
|
|
3 1 3 2 -0.40327907363334D+01 0.11118850718385D-03
|
|
1 2 3 2 -0.19737020443813D+02 0.22959921414017D-01
|
|
2 2 3 2 -0.47014281954101D+02 0.10129145660763D+00
|
|
3 2 3 2 -0.39284558258230D+02 0.72134918030722D-15
|
|
Band: 8
|
|
1 1 1 1 -0.22768487204965D+02 -0.98817526432857D-15
|
|
2 1 1 1 -0.31405653284938D+01 -0.23558900494362D-01
|
|
3 1 1 1 0.78138796429654D+01 0.10204612426393D+00
|
|
1 2 1 1 0.63685261274819D+01 -0.33428673313546D-02
|
|
2 2 1 1 -0.28694265551340D+00 -0.26691034294092D-01
|
|
3 2 1 1 -0.49022662201859D+00 -0.10218048105537D+00
|
|
1 1 2 1 -0.31405653284938D+01 0.23558900494362D-01
|
|
2 1 2 1 -0.22601354883701D+02 0.59223277240933D-15
|
|
3 1 2 1 -0.19912062691259D+02 0.23795798282345D-01
|
|
1 2 2 1 0.22017361635939D+01 0.13484476401657D-01
|
|
2 2 2 1 -0.20223980901027D+00 -0.10006821042343D-01
|
|
3 2 2 1 0.25328803112574D+01 -0.23664350442258D-01
|
|
1 1 3 1 0.78138796429654D+01 -0.10204612426393D+00
|
|
2 1 3 1 -0.19912062691259D+02 -0.23795798282343D-01
|
|
3 1 3 1 -0.38643872229513D+02 0.13925097454277D-15
|
|
1 2 3 1 0.23053261455765D+01 -0.61790089223556D-01
|
|
2 2 3 1 -0.30235863957275D+00 0.16378106367766D-01
|
|
3 2 3 1 -0.52096968284861D+01 -0.71326901407121D-03
|
|
1 1 1 2 0.63685261274819D+01 0.33428673313589D-02
|
|
2 1 1 2 0.22017361635939D+01 -0.13484476401656D-01
|
|
3 1 1 2 0.23053261455765D+01 0.61790089223547D-01
|
|
1 2 1 2 -0.37890758044747D+02 0.29816478079393D-14
|
|
2 2 1 2 -0.18169811534043D+02 -0.16698858015049D-01
|
|
3 2 1 2 0.72950237140130D+01 -0.61849101872506D-01
|
|
1 1 2 2 -0.28694265551339D+00 0.26691034294092D-01
|
|
2 1 2 2 -0.20223980901028D+00 0.10006821042341D-01
|
|
3 1 2 2 -0.30235863957275D+00 -0.16378106367767D-01
|
|
1 2 2 2 -0.18169811534043D+02 0.16698858015050D-01
|
|
2 2 2 2 -0.21099971141418D+02 0.24913488915801D-15
|
|
3 2 2 2 -0.34945101165834D+01 0.16585596995508D-01
|
|
1 1 3 2 -0.49022662201859D+00 0.10218048105537D+00
|
|
2 1 3 2 0.25328803112574D+01 0.23664350442256D-01
|
|
3 1 3 2 -0.52096968284861D+01 0.71326901407059D-03
|
|
1 2 3 2 0.72950237140130D+01 0.61849101872505D-01
|
|
2 2 3 2 -0.34945101165834D+01 -0.16585596995507D-01
|
|
3 2 3 2 -0.22205698898308D+02 -0.13309522784208D-14
|
|
K-point: 0.00000000E+00 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.82214151037201D+01 -0.14916955642974D-15
|
|
2 1 1 1 -0.24758110396508D+01 0.41573649725959D-04
|
|
3 1 1 1 -0.19546057278749D+01 0.38857713819735D-04
|
|
1 2 1 1 -0.31409085654455D+01 0.30405466139413D-04
|
|
2 2 1 1 0.49895454225886D+00 0.14635757463665D-04
|
|
3 2 1 1 -0.44870157151353D-01 0.16880535553251D-04
|
|
1 1 2 1 -0.24758110396508D+01 -0.41573649725921D-04
|
|
2 1 2 1 -0.89649287648483D+01 0.30529031898764D-15
|
|
3 1 2 1 -0.59671828439474D+01 -0.54695967029291D-05
|
|
1 2 2 1 0.72025391274806D+00 0.92053317853364D-05
|
|
2 2 2 1 -0.12434932035996D-01 -0.42981801016673D-04
|
|
3 2 2 1 0.78746200169703D-01 -0.41858106270661D-04
|
|
1 1 3 1 -0.19546057278749D+01 -0.38857713819473D-04
|
|
2 1 3 1 -0.59671828439474D+01 0.54695967036474D-05
|
|
3 1 3 1 -0.78917550890161D+01 0.51693320584526D-15
|
|
1 2 3 1 0.24320823182365D+00 0.18380611389998D-04
|
|
2 2 3 1 0.48608083737569D-01 -0.39000639784134D-04
|
|
3 2 3 1 0.51497662390259D-01 -0.37794695487851D-04
|
|
1 1 1 2 -0.31409085654455D+01 -0.30405466139184D-04
|
|
2 1 1 2 0.72025391274806D+00 -0.92053317852710D-05
|
|
3 1 1 2 0.24320823182365D+00 -0.18380611389717D-04
|
|
1 2 1 2 -0.84955807555594D+01 -0.27775079579106D-16
|
|
2 2 1 2 -0.25995685629054D+01 -0.35076138151428D-04
|
|
3 2 1 2 -0.21679953427472D+01 -0.37070240255669D-04
|
|
1 1 2 2 0.49895454225887D+00 -0.14635757463249D-04
|
|
2 1 2 2 -0.12434932035995D-01 0.42981801017158D-04
|
|
3 1 2 2 0.48608083737569D-01 0.39000639784210D-04
|
|
1 2 2 2 -0.25995685629054D+01 0.35076138150720D-04
|
|
2 2 2 2 -0.87035368501030D+01 0.97171253378266D-16
|
|
3 2 2 2 -0.57429315887877D+01 0.40383937526690D-05
|
|
1 1 3 2 -0.44870157151353D-01 -0.16880535553153D-04
|
|
2 1 3 2 0.78746200169703D-01 0.41858106270218D-04
|
|
3 1 3 2 0.51497662390260D-01 0.37794695488128D-04
|
|
1 2 3 2 -0.21679953427472D+01 0.37070240255419D-04
|
|
2 2 3 2 -0.57429315887877D+01 -0.40383937527522D-05
|
|
3 2 3 2 -0.76570116271320D+01 -0.22205519318584D-15
|
|
Band: 2
|
|
1 1 1 1 -0.48756018012786D+01 0.58981340553451D-16
|
|
2 1 1 1 -0.30044077784219D+01 -0.39471095158252D-05
|
|
3 1 1 1 -0.24861461082572D+01 -0.29917026860236D-05
|
|
1 2 1 1 0.88291725452118D-01 -0.61830375133702D-06
|
|
2 2 1 1 0.55382637009493D-01 0.22099356986122D-05
|
|
3 2 1 1 0.59920513037346D+00 -0.13032063518128D-05
|
|
1 1 2 1 -0.30044077784219D+01 0.39471095152458D-05
|
|
2 1 2 1 -0.87935488331796D+01 0.27758412793128D-15
|
|
3 1 2 1 -0.63110679046677D+01 0.39122470281032D-04
|
|
1 2 2 1 0.91742545493357D-01 0.10898057120432D-05
|
|
2 2 2 1 0.12438697052265D-01 0.41316573924584D-04
|
|
3 2 2 1 0.73324215373705D+00 0.55617583825974D-04
|
|
1 1 3 1 -0.24861461082572D+01 0.29917026852983D-05
|
|
2 1 3 1 -0.63110679046677D+01 -0.39122470281060D-04
|
|
3 1 3 1 -0.12003301212264D+02 -0.22899518104903D-15
|
|
1 2 3 1 0.56879122652200D+00 -0.54662589763475D-06
|
|
2 2 3 1 0.50573275629741D+00 0.59146000799676D-04
|
|
3 2 3 1 0.43674422668571D+01 0.38206150508856D-04
|
|
1 1 1 2 0.88291725452118D-01 0.61830375135784D-06
|
|
2 1 1 2 0.91742545493357D-01 -0.10898057119877D-05
|
|
3 1 1 2 0.56879122652200D+00 0.54662589782903D-06
|
|
1 2 1 2 -0.49200442605750D+01 0.83267706344272D-16
|
|
2 2 1 2 -0.29580114655960D+01 0.50017755990984D-05
|
|
3 2 1 2 -0.25140020206754D+01 0.68604004725950D-05
|
|
1 1 2 2 0.55382637009493D-01 -0.22099356992783D-05
|
|
2 1 2 2 0.12438697052265D-01 -0.41316573924696D-04
|
|
3 1 2 2 0.50573275629741D+00 -0.59146000799745D-04
|
|
1 2 2 2 -0.29580114655960D+01 -0.50017755991123D-05
|
|
2 2 2 2 -0.88739201500527D+01 -0.11105714123894D-15
|
|
3 2 2 2 -0.62769504673070D+01 -0.33284830271619D-04
|
|
1 1 3 2 0.59920513037346D+00 0.13032063515214D-05
|
|
2 1 3 2 0.73324215373705D+00 -0.55617583826029D-04
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|
3 1 3 2 0.43674422668571D+01 -0.38206150507927D-04
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|
1 2 3 2 -0.25140020206754D+01 -0.68604004726505D-05
|
|
2 2 3 2 -0.62769504673070D+01 0.33284830271938D-04
|
|
3 2 3 2 -0.12220900187560D+02 -0.12489566449862D-15
|
|
Band: 3
|
|
1 1 1 1 -0.32913889361064D+02 0.31477910456830D-15
|
|
2 1 1 1 -0.14977850834302D+02 -0.54539879880799D-04
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|
3 1 1 1 -0.15666143492881D+02 -0.59414829962458D-04
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|
1 2 1 1 -0.24653010687009D+01 -0.12505569516537D-03
|
|
2 2 1 1 -0.93541497892344D+00 -0.66889329505858D-04
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|
3 2 1 1 -0.12869600541111D+01 -0.53288472646977D-04
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|
1 1 2 1 -0.14977850834302D+02 0.54539879880937D-04
|
|
2 1 2 1 -0.14098163602676D+02 0.83262057327511D-16
|
|
3 1 2 1 -0.93431023075164D+01 -0.98236908991346D-05
|
|
1 2 2 1 -0.12899352024185D+01 -0.64311070203480D-04
|
|
2 2 2 1 -0.27708051307144D+01 -0.46572020920244D-05
|
|
3 2 2 1 -0.13517867937268D+01 0.11408962809142D-05
|
|
1 1 3 1 -0.15666143492881D+02 0.59414829962934D-04
|
|
2 1 3 1 -0.93431023075164D+01 0.98236909001477D-05
|
|
3 1 3 1 -0.14077733633191D+02 0.33653665692605D-15
|
|
1 2 3 1 -0.17729468038804D+01 -0.57343469197148D-04
|
|
2 2 3 1 -0.14760602615688D+01 -0.29933707144320D-05
|
|
3 2 3 1 0.20288347877248D+00 0.28358976652822D-05
|
|
1 1 1 2 -0.24653010687009D+01 0.12505569516247D-03
|
|
2 1 1 2 -0.12899352024185D+01 0.64311070201467D-04
|
|
3 1 1 2 -0.17729468038804D+01 0.57343469197644D-04
|
|
1 2 1 2 -0.31995033277434D+02 0.23619384784948D-15
|
|
2 2 1 2 -0.13949627961972D+02 0.58426774825181D-04
|
|
3 2 1 2 -0.15608325977376D+02 0.58085087006205D-04
|
|
1 1 2 2 -0.93541497892345D+00 0.66889329506399D-04
|
|
2 1 2 2 -0.27708051307144D+01 0.46572020916367D-05
|
|
3 1 2 2 -0.14760602615688D+01 0.29933707146835D-05
|
|
1 2 2 2 -0.13949627961972D+02 -0.58426774824779D-04
|
|
2 2 2 2 -0.13449058091581D+02 0.22204765741375D-15
|
|
3 2 2 2 -0.91925562828035D+01 0.69207799802736D-05
|
|
1 1 3 2 -0.12869600541111D+01 0.53288472646720D-04
|
|
2 1 3 2 -0.13517867937268D+01 -0.11408962814208D-05
|
|
3 1 3 2 0.20288347877247D+00 -0.28358976658859D-05
|
|
1 2 3 2 -0.15608325977376D+02 -0.58085087006299D-04
|
|
2 2 3 2 -0.91925562828035D+01 -0.69207799802459D-05
|
|
3 2 3 2 -0.14566217659410D+02 0.25758998351574D-15
|
|
Band: 4
|
|
1 1 1 1 -0.95762656705720D+01 -0.11969634223188D-15
|
|
2 1 1 1 -0.42293261426249D+01 -0.41124941464869D-05
|
|
3 1 1 1 -0.58884741751174D+01 -0.77568382151699D-05
|
|
1 2 1 1 -0.25992508084940D+00 0.22363554407933D-05
|
|
2 2 1 1 0.14135703052963D+01 0.13381302863691D-04
|
|
3 2 1 1 0.17651131228385D+01 -0.55998241209292D-05
|
|
1 1 2 1 -0.42293261426249D+01 0.41124941465146D-05
|
|
2 1 2 1 -0.13451081084793D+02 0.22204196402067D-15
|
|
3 1 2 1 0.10010338041697D+01 -0.59603876868540D-04
|
|
1 2 2 1 0.12812087754651D+01 0.28467893496900D-05
|
|
2 2 2 1 0.27708003720673D+01 0.11386729216024D-04
|
|
3 2 2 1 0.13430621720693D+01 -0.58262154702165D-04
|
|
1 1 3 1 -0.58884741751174D+01 0.77568382151838D-05
|
|
2 1 3 1 0.10010338041697D+01 0.59603876868386D-04
|
|
3 1 3 1 -0.17547307840440D+02 -0.30531639466010D-15
|
|
1 2 3 1 0.17642203169076D+01 -0.59231750773460D-05
|
|
2 2 3 1 0.19542115212064D+01 -0.56706794747765D-04
|
|
3 2 3 1 0.29917706881653D+01 -0.25351124392573D-05
|
|
1 1 1 2 -0.25992508084940D+00 -0.22363554402313D-05
|
|
2 1 1 2 0.12812087754651D+01 -0.28467893500161D-05
|
|
3 1 1 2 0.17642203169076D+01 0.59231750774674D-05
|
|
1 2 1 2 -0.95513699483778D+01 0.39898844944370D-16
|
|
2 2 1 2 -0.48085799189597D+01 0.72902698972917D-05
|
|
3 2 1 2 -0.54515088129956D+01 0.42433773992492D-05
|
|
1 1 2 2 0.14135703052963D+01 -0.13381302863948D-04
|
|
2 1 2 2 0.27708003720673D+01 -0.11386729216080D-04
|
|
3 1 2 2 0.19542115212064D+01 0.56706794748205D-04
|
|
1 2 2 2 -0.48085799189597D+01 -0.72902698972431D-05
|
|
2 2 2 2 -0.14102344891778D+02 0.44409304577686D-15
|
|
3 2 2 2 0.39936923647729D+00 0.56143588044905D-04
|
|
1 1 3 2 0.17651131228385D+01 0.55998241208321D-05
|
|
2 1 3 2 0.13430621720693D+01 0.58262154702082D-04
|
|
3 1 3 2 0.29917706881653D+01 0.25351124405644D-05
|
|
1 2 3 2 -0.54515088129956D+01 -0.42433773991659D-05
|
|
2 2 3 2 0.39936923647729D+00 -0.56143588045127D-04
|
|
3 2 3 2 -0.17015160617851D+02 0.41634036596824D-15
|
|
Band: 5
|
|
1 1 1 1 -0.91887894319694D+01 0.39990402734785D-15
|
|
2 1 1 1 -0.51539463736443D+01 -0.50196558176023D-03
|
|
3 1 1 1 -0.39695938925221D+01 -0.51150392610984D-03
|
|
1 2 1 1 0.17357847250452D+00 -0.65936844622765D-02
|
|
2 2 1 1 -0.80717468967354D+00 -0.33231289229878D-02
|
|
3 2 1 1 -0.95756630146217D+00 -0.32613374532116D-02
|
|
1 1 2 1 -0.51539463736443D+01 0.50196558175943D-03
|
|
2 1 2 1 -0.78646017077740D+01 -0.25000567689298D-15
|
|
3 1 2 1 -0.52897233741814D+01 0.50785922113120D-04
|
|
1 2 2 1 -0.60087616832490D+00 -0.29297122348068D-02
|
|
2 2 2 1 -0.24672687939139D+00 -0.14328713319710D-02
|
|
3 2 2 1 -0.74191908885813D+00 -0.14057783138287D-02
|
|
1 1 3 1 -0.39695938925221D+01 0.51150392610970D-03
|
|
2 1 3 1 -0.52897233741814D+01 -0.50785922113342D-04
|
|
3 1 3 1 -0.65356154746616D+01 -0.27723677129800D-15
|
|
1 2 3 1 -0.77047787590356D+00 -0.36630668033855D-02
|
|
2 2 3 1 -0.98062119014875D+00 -0.18017673184765D-02
|
|
3 2 3 1 -0.14155545936964D+01 -0.17680110769091D-02
|
|
1 1 1 2 0.17357847250452D+00 0.65936844622767D-02
|
|
2 1 1 2 -0.60087616832490D+00 0.29297122348067D-02
|
|
3 1 1 2 -0.77047787590356D+00 0.36630668033851D-02
|
|
1 2 1 2 -0.88244048324186D+01 0.17364783264379D-15
|
|
2 2 1 2 -0.47321774978314D+01 0.56978191761422D-03
|
|
3 2 1 2 -0.39757732266727D+01 0.56619061390986D-03
|
|
1 1 2 2 -0.80717468967354D+00 0.33231289229876D-02
|
|
2 1 2 2 -0.24672687939139D+00 0.14328713319710D-02
|
|
3 1 2 2 -0.98062119014875D+00 0.18017673184759D-02
|
|
1 2 2 2 -0.47321774978314D+01 -0.56978191761395D-03
|
|
2 2 2 2 -0.67016977534099D+01 0.24944698768645D-15
|
|
3 2 2 2 -0.44321677000407D+01 0.31281761027828D-05
|
|
1 1 3 2 -0.95756630146217D+00 0.32613374532119D-02
|
|
2 1 3 2 -0.74191908885813D+00 0.14057783138288D-02
|
|
3 1 3 2 -0.14155545936964D+01 0.17680110769093D-02
|
|
1 2 3 2 -0.39757732266727D+01 -0.56619061391090D-03
|
|
2 2 3 2 -0.44321677000407D+01 -0.31281761034765D-05
|
|
3 2 3 2 -0.58518479645637D+01 -0.10128705570488D-14
|
|
Band: 6
|
|
1 1 1 1 -0.36968941737352D+01 -0.15092084983149D-15
|
|
2 1 1 1 -0.22763867059000D+01 -0.36868720197669D-05
|
|
3 1 1 1 -0.15139501159259D+01 -0.74054411765813D-05
|
|
1 2 1 1 -0.60256840504556D-01 -0.73689566336600D-05
|
|
2 2 1 1 -0.49448954728453D+00 0.29703678660659D-04
|
|
3 2 1 1 -0.34408514196765D+00 -0.36749687494862D-04
|
|
1 1 2 1 -0.22763867059000D+01 0.36868720199516D-05
|
|
2 1 2 1 -0.67480006313704D+01 -0.14790823529209D-16
|
|
3 1 2 1 -0.18925436296355D+01 -0.57208304411458D-03
|
|
1 2 2 1 -0.73786026172166D+00 -0.36542722734752D-03
|
|
2 2 2 1 0.24672789828928D+00 0.14327329498128D-02
|
|
3 2 2 1 -0.59681398841406D+00 -0.18897461462524D-02
|
|
1 1 3 1 -0.15139501159259D+01 0.74054411764356D-05
|
|
2 1 3 1 -0.18925436296355D+01 0.57208304411396D-03
|
|
3 1 3 1 -0.61020009394844D+01 -0.24309719748117D-15
|
|
1 2 3 1 -0.56826104971399D+00 0.35879571013260D-03
|
|
2 2 3 1 -0.32105142313340D+00 -0.14937916425925D-02
|
|
3 2 3 1 -0.13381529421733D+01 0.17682919734004D-02
|
|
1 1 1 2 -0.60256840504556D-01 0.73689566336565D-05
|
|
2 1 1 2 -0.73786026172166D+00 0.36542722734767D-03
|
|
3 1 1 2 -0.56826104971399D+00 -0.35879571013261D-03
|
|
1 2 1 2 -0.38032619002778D+01 0.27779124001415D-16
|
|
2 2 1 2 -0.25721089175670D+01 -0.53590084951035D-04
|
|
3 2 1 2 -0.13757884238657D+01 -0.57914310313967D-04
|
|
1 1 2 2 -0.49448954728453D+00 -0.29703678660465D-04
|
|
2 1 2 2 0.24672789828928D+00 -0.14327329498132D-02
|
|
3 1 2 2 -0.32105142313340D+00 0.14937916425924D-02
|
|
1 2 2 2 -0.25721089175670D+01 0.53590084951444D-04
|
|
2 2 2 2 -0.78192111824116D+01 -0.52701168002954D-15
|
|
3 2 2 2 -0.27844649971260D+01 0.50632732640696D-03
|
|
1 1 3 2 -0.34408514196765D+00 0.36749687494973D-04
|
|
2 1 3 2 -0.59681398841406D+00 0.18897461462523D-02
|
|
3 1 3 2 -0.13381529421733D+01 -0.17682919733999D-02
|
|
1 2 3 2 -0.13757884238657D+01 0.57914310314064D-04
|
|
2 2 3 2 -0.27844649971260D+01 -0.50632732640782D-03
|
|
3 2 3 2 -0.66881486659032D+01 -0.14013791367645D-14
|
|
Band: 7
|
|
1 1 1 1 -0.78853631911997D+02 0.90401778623626D-15
|
|
2 1 1 1 -0.41288829735059D+02 -0.10965799499991D-01
|
|
3 1 1 1 -0.38709179133035D+02 -0.10961714492058D-01
|
|
1 2 1 1 0.86338232569204D+00 0.22610029747114D-01
|
|
2 2 1 1 -0.61255211370708D+01 0.11742565158353D-01
|
|
3 2 1 1 -0.63513475530291D+01 0.10933215832040D-01
|
|
1 1 2 1 -0.41288829735059D+02 0.10965799499991D-01
|
|
2 1 2 1 -0.32216223235493D+02 -0.16647608929284D-15
|
|
3 1 2 1 -0.21549608632507D+02 0.86053979210106D-03
|
|
1 2 2 1 -0.53523284798417D+01 0.10447785989690D-01
|
|
2 2 2 1 -0.70874912888158D+01 -0.49401384649446D-03
|
|
3 2 2 1 -0.54047255737080D+01 -0.87516933205127D-03
|
|
1 1 3 1 -0.38709179133035D+02 0.10961714492059D-01
|
|
2 1 3 1 -0.21549608632507D+02 -0.86053979209988D-03
|
|
3 1 3 1 -0.29149686530453D+02 0.41609167914897D-15
|
|
1 2 3 1 -0.54783750926689D+01 0.12215599561956D-01
|
|
2 2 3 1 -0.59538984609805D+01 0.42705464325118D-03
|
|
3 2 3 1 -0.40130643004881D+01 -0.19055016380705D-04
|
|
1 1 1 2 0.86338232569204D+00 -0.22610029747131D-01
|
|
2 1 1 2 -0.53523284798417D+01 -0.10447785989693D-01
|
|
3 1 1 2 -0.54783750926689D+01 -0.12215599561965D-01
|
|
1 2 1 2 -0.79623321507869D+02 0.11087397940783D-14
|
|
2 2 1 2 -0.37928789538702D+02 0.12204975709238D-01
|
|
3 2 1 2 -0.42827962462763D+02 0.12222883778767D-01
|
|
1 1 2 2 -0.61255211370708D+01 -0.11742565158364D-01
|
|
2 1 2 2 -0.70874912888158D+01 0.49401384648977D-03
|
|
3 1 2 2 -0.59538984609805D+01 -0.42705464325692D-03
|
|
1 2 2 2 -0.37928789538702D+02 -0.12204975709236D-01
|
|
2 2 2 2 -0.28616684155262D+02 -0.17034734374750D-16
|
|
3 2 2 2 -0.21504140038063D+02 0.44774296319087D-03
|
|
1 1 3 2 -0.63513475530291D+01 -0.10933215832045D-01
|
|
2 1 3 2 -0.54047255737080D+01 0.87516933204958D-03
|
|
3 1 3 2 -0.40130643004881D+01 0.19055016378137D-04
|
|
1 2 3 2 -0.42827962462763D+02 -0.12222883778768D-01
|
|
2 2 3 2 -0.21504140038063D+02 -0.44774296319224D-03
|
|
3 2 3 2 -0.33039851496634D+02 -0.44421563962455D-15
|
|
Band: 8
|
|
1 1 1 1 -0.18630784577525D+02 -0.67307104400609D-15
|
|
2 1 1 1 -0.70917272583382D+01 -0.43362012217811D-03
|
|
3 1 1 1 -0.12015058351597D+02 -0.41737956765408D-03
|
|
1 2 1 1 -0.25806929462584D+00 0.60380417348747D-04
|
|
2 2 1 1 0.17066699498142D+01 -0.37330537302092D-03
|
|
3 2 1 1 0.19324913089234D+01 0.41721150172968D-03
|
|
1 1 2 1 -0.70917272583382D+01 0.43362012217789D-03
|
|
2 1 2 1 -0.28628651946031D+02 0.60334262917121D-15
|
|
3 1 2 1 0.90853407640175D+01 -0.12251381092904D-01
|
|
1 2 2 1 0.11333829155436D+01 0.93106134106265D-03
|
|
2 2 2 1 0.70874763313134D+01 0.47656731479071D-03
|
|
3 2 2 1 0.11857850761132D+01 0.12294383209172D-01
|
|
1 1 3 1 -0.12015058351597D+02 0.41737956765374D-03
|
|
2 1 3 1 0.90853407640174D+01 0.12251381092903D-01
|
|
3 1 3 1 -0.32418378116813D+02 0.13961106935984D-15
|
|
1 2 3 1 0.12594209476164D+01 -0.84889861808945D-03
|
|
2 2 3 1 0.15350881231226D+01 0.10944970900043D-01
|
|
3 2 3 1 -0.52300969205437D+01 0.11643169469364D-04
|
|
1 1 1 2 -0.25806929462584D+00 -0.60380417346804D-04
|
|
2 1 1 2 0.11333829155436D+01 -0.93106134106308D-03
|
|
3 1 1 2 0.12594209476164D+01 0.84889861809052D-03
|
|
1 2 1 2 -0.18288691620888D+02 0.22897192542783D-15
|
|
2 2 1 2 -0.10668999169498D+02 -0.86476133199333D-03
|
|
3 2 1 2 -0.81065837377889D+01 -0.85344194388914D-03
|
|
1 1 2 2 0.17066699498142D+01 0.37330537301904D-03
|
|
2 1 2 2 0.70874763313134D+01 -0.47656731479399D-03
|
|
3 1 2 2 0.15350881231226D+01 -0.10944970900040D-01
|
|
1 2 2 2 -0.10668999169498D+02 0.86476133199410D-03
|
|
2 2 2 2 -0.32205474376673D+02 -0.16804438135219D-14
|
|
3 2 2 2 0.92797746397382D+01 0.10983717549302D-01
|
|
1 1 3 2 0.19324913089234D+01 -0.41721150173065D-03
|
|
2 1 3 2 0.11857850761132D+01 -0.12294383209173D-01
|
|
3 1 3 2 -0.52300969205437D+01 -0.11643169471530D-04
|
|
1 2 3 2 -0.81065837377889D+01 0.85344194388945D-03
|
|
2 2 3 2 0.92797746397382D+01 -0.10983717549300D-01
|
|
3 2 3 2 -0.28498727142838D+02 0.90833528556772D-17
|
|
K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
|
|
Band: 1
|
|
1 1 1 1 -0.93788298051574D+01 0.53776225986825D-16
|
|
2 1 1 1 -0.75065823888326D+01 0.12372624647760D-05
|
|
3 1 1 1 -0.24780507296729D+01 0.42668873928931D-05
|
|
1 2 1 1 -0.54448796416746D+01 -0.37389566025935D-05
|
|
2 2 1 1 -0.44260104296913D+01 -0.40420744091721D-05
|
|
3 2 1 1 -0.26508153654075D+00 0.23459190026639D-06
|
|
1 1 2 1 -0.75065823888326D+01 -0.12372624645318D-05
|
|
2 1 2 1 -0.93808601840265D+01 -0.34694896407942D-16
|
|
3 1 2 1 -0.24699366501818D+01 0.47658270027516D-05
|
|
1 2 2 1 -0.44260119070767D+01 -0.55413833528473D-05
|
|
2 2 2 1 -0.54460973484704D+01 -0.55134943144442D-05
|
|
3 2 2 1 -0.25706102230278D+00 -0.27014798721911D-06
|
|
1 1 3 1 -0.24780507296728D+01 -0.42668873926449D-05
|
|
2 1 3 1 -0.24699366501818D+01 -0.47658270021141D-05
|
|
3 1 3 1 -0.57217057520147D+01 0.35735299672137D-15
|
|
1 2 3 1 -0.26505903592351D+00 -0.25967735794928D-05
|
|
2 2 3 1 -0.25703669597577D+00 -0.20183790316822D-05
|
|
3 2 3 1 0.19199797058254D+01 0.14513550287288D-06
|
|
1 1 1 2 -0.54448796416746D+01 0.37389566024756D-05
|
|
2 1 1 2 -0.44260119070767D+01 0.55413833529099D-05
|
|
3 1 1 2 -0.26505903592351D+00 0.25967735793506D-05
|
|
1 2 1 2 -0.93788538277839D+01 -0.55510956792267D-16
|
|
2 2 1 2 -0.75066024259463D+01 0.24617907220329D-06
|
|
3 2 1 2 -0.24780727721501D+01 0.16290538595266D-05
|
|
1 1 2 2 -0.44260104296913D+01 0.40420744090403D-05
|
|
2 1 2 2 -0.54460973484704D+01 0.55134943143159D-05
|
|
3 1 2 2 -0.25703669597577D+00 0.20183790314959D-05
|
|
1 2 2 2 -0.75066024259463D+01 -0.24617907209394D-06
|
|
2 2 2 2 -0.93808763127131D+01 -0.41633127075365D-16
|
|
3 2 2 2 -0.24699607391786D+01 0.20782050436275D-05
|
|
1 1 3 2 -0.26508153654075D+00 -0.23459190046067D-06
|
|
2 1 3 2 -0.25706102230278D+00 0.27014798727983D-06
|
|
3 1 3 2 0.19199797058254D+01 -0.14513550309232D-06
|
|
1 2 3 2 -0.24780727721501D+01 -0.16290538598822D-05
|
|
2 2 3 2 -0.24699607391786D+01 -0.20782050437915D-05
|
|
3 2 3 2 -0.57217016913584D+01 -0.15265567542439D-15
|
|
Band: 2
|
|
1 1 1 1 -0.11747981425034D+02 0.17347115040319D-16
|
|
2 1 1 1 -0.88495210517731D+01 0.20185757208900D-05
|
|
3 1 1 1 -0.85981020022498D+01 -0.70440695319979D-06
|
|
1 2 1 1 -0.27525305792439D+01 -0.48501019160546D-06
|
|
2 2 1 1 -0.21426882899419D+01 -0.54786440461576D-06
|
|
3 2 1 1 -0.13750670834336D+01 0.14504970605843D-06
|
|
1 1 2 1 -0.88495210517731D+01 -0.20185757208970D-05
|
|
2 1 2 1 -0.11751424641227D+02 -0.34694474400316D-15
|
|
3 1 2 1 -0.85977043629917D+01 -0.24699921424765D-05
|
|
1 2 2 1 -0.21426913795734D+01 0.14126544026910D-05
|
|
2 2 2 1 -0.27784289619498D+01 0.16018407540884D-05
|
|
3 2 2 1 -0.13820480520545D+01 0.16490630531957D-05
|
|
1 1 3 1 -0.85981020022498D+01 0.70440695299303D-06
|
|
2 1 3 1 -0.85977043629917D+01 0.24699921423152D-05
|
|
3 1 3 1 -0.11487407954085D+02 0.36428976687783D-16
|
|
1 2 3 1 -0.13750643416150D+01 -0.64871981471321D-06
|
|
2 2 3 1 -0.13820422499553D+01 -0.60810508222216D-06
|
|
3 2 3 1 -0.96913441962552D+00 -0.37011739349719D-06
|
|
1 1 1 2 -0.27525305792439D+01 0.48501019202873D-06
|
|
2 1 1 2 -0.21426913795734D+01 -0.14126544027092D-05
|
|
3 1 1 2 -0.13750643416150D+01 0.64871981384585D-06
|
|
1 2 1 2 -0.11747986221779D+02 0.63837825328414D-15
|
|
2 2 1 2 -0.88495281108945D+01 0.15531502416194D-06
|
|
3 2 1 2 -0.85981058693381D+01 -0.41706020776664D-06
|
|
1 1 2 2 -0.21426882899419D+01 0.54786440435641D-06
|
|
2 1 2 2 -0.27784289619498D+01 -0.16018407545255D-05
|
|
3 1 2 2 -0.13820422499553D+01 0.60810508113796D-06
|
|
1 2 2 2 -0.88495281108945D+01 -0.15531502394379D-06
|
|
2 2 2 2 -0.11751434416205D+02 0.61062255651169D-15
|
|
3 2 2 2 -0.85977113423936D+01 -0.40945021197748D-06
|
|
1 1 3 2 -0.13750670834336D+01 -0.14504970534373D-06
|
|
2 1 3 2 -0.13820480520545D+01 -0.16490630530777D-05
|
|
3 1 3 2 -0.96913441962552D+00 0.37011739354092D-06
|
|
1 2 3 2 -0.85981058693381D+01 0.41706020818297D-06
|
|
2 2 3 2 -0.85977113423936D+01 0.40945021181095D-06
|
|
3 2 3 2 -0.11487409066427D+02 -0.11102235484631D-15
|
|
Band: 3
|
|
1 1 1 1 -0.93816857120035D+01 -0.15265566880432D-15
|
|
2 1 1 1 0.10325905076592D+02 -0.40888266546561D-05
|
|
3 1 1 1 -0.88298411521376D+01 -0.43611647226257D-05
|
|
1 2 1 1 0.12756808887281D+02 0.34043447338449D-05
|
|
2 2 1 1 0.12120110841374D+02 0.40572137698581D-05
|
|
3 2 1 1 0.27514968185468D+01 -0.49411616472434D-06
|
|
1 1 2 1 0.10325905076592D+02 0.40888266552451D-05
|
|
2 1 2 1 -0.11181661971223D+02 -0.49960137787774D-15
|
|
3 1 2 1 -0.58173619255447D+01 -0.30600881346588D-05
|
|
1 2 2 1 0.12120116948733D+02 0.52833735575664D-05
|
|
2 2 2 1 0.13240690965169D+02 0.59142985708559D-05
|
|
3 2 2 1 0.28267402950772D+01 -0.21386673208135D-05
|
|
1 1 3 1 -0.88298411521376D+01 0.43611647226595D-05
|
|
2 1 3 1 -0.58173619255447D+01 0.30600881347421D-05
|
|
3 1 3 1 -0.13300637873689D+02 0.62450087424774D-16
|
|
1 2 3 1 0.27514648645848D+01 0.53813398908637D-05
|
|
2 2 3 1 0.28267035869600D+01 0.59243229923437D-05
|
|
3 2 3 1 0.29962595971925D+01 0.51407170486388D-06
|
|
1 1 1 2 0.12756808887281D+02 -0.34043447334009D-05
|
|
2 1 1 2 0.12120116948733D+02 -0.52833735573027D-05
|
|
3 1 1 2 0.27514648645848D+01 -0.53813398913910D-05
|
|
1 2 1 2 -0.93816496885430D+01 -0.55511177284095D-15
|
|
2 2 1 2 0.10325941335674D+02 0.33929097526550D-06
|
|
3 2 1 2 -0.88298091657452D+01 -0.31237783424058D-06
|
|
1 1 2 2 0.12120110841374D+02 -0.40572137703594D-05
|
|
2 1 2 2 0.13240690965169D+02 -0.59142985720772D-05
|
|
3 1 2 2 0.28267035869600D+01 -0.59243229921148D-05
|
|
1 2 2 2 0.10325941335674D+02 -0.33929097525162D-06
|
|
2 2 2 2 -0.11181625068366D+02 -0.76327765440518D-15
|
|
3 2 2 2 -0.58173253927132D+01 -0.16030377794674D-06
|
|
1 1 3 2 0.27514968185468D+01 0.49411616471740D-06
|
|
2 1 3 2 0.28267402950772D+01 0.21386673209107D-05
|
|
3 1 3 2 0.29962595971925D+01 -0.51407170530797D-06
|
|
1 2 3 2 -0.88298091657452D+01 0.31237783433079D-06
|
|
2 2 3 2 -0.58173253927132D+01 0.16030377737775D-06
|
|
3 2 3 2 -0.13300636823052D+02 0.18735015593638D-15
|
|
Band: 4
|
|
1 1 1 1 -0.12365220392034D+02 -0.36082255145944D-15
|
|
2 1 1 1 -0.10450991822583D+02 -0.14882336409827D-05
|
|
3 1 1 1 -0.13985834525620D+00 -0.85826731570601D-06
|
|
1 2 1 1 0.35454013079496D+01 0.65670084367669D-06
|
|
2 2 1 1 -0.10844189779129D+01 -0.41307724395383D-06
|
|
3 2 1 1 0.13922174881848D+01 0.16991906308190D-05
|
|
1 1 2 1 -0.10450991822583D+02 0.14882336406635D-05
|
|
2 1 2 1 -0.12150506001253D+02 -0.19428901601635D-15
|
|
3 1 2 1 -0.31125515886941D+01 0.48365328642664D-06
|
|
1 2 2 1 -0.10844216439708D+01 0.11665415916151D-05
|
|
2 2 2 1 0.13116901121548D+01 0.38320093268500D-06
|
|
3 2 2 1 0.12771891237767D+01 0.25752184748652D-06
|
|
1 1 3 1 -0.13985834525621D+00 0.85826731585867D-06
|
|
2 1 3 1 -0.31125515886941D+01 -0.48365328617684D-06
|
|
3 1 3 1 -0.22712237093524D+02 0.88817841034264D-15
|
|
1 2 3 1 0.13922152396340D+01 -0.61504293024153D-06
|
|
2 2 3 1 0.12771899114767D+01 -0.81676439191294D-06
|
|
3 2 3 1 0.29318652239931D+01 0.61136738400751D-06
|
|
1 1 1 2 0.35454013079496D+01 -0.65670084296893D-06
|
|
2 1 1 2 -0.10844216439708D+01 -0.11665415917677D-05
|
|
3 1 1 2 0.13922152396340D+01 0.61504293047745D-06
|
|
1 2 1 2 -0.12365216310966D+02 -0.33306690121823D-15
|
|
2 2 1 2 -0.10450992116842D+02 -0.11330204799733D-05
|
|
3 2 1 2 -0.13985436793471D+00 -0.54703867531224D-06
|
|
1 1 2 2 -0.10844189779129D+01 0.41307724375260D-06
|
|
2 1 2 2 0.13116901121548D+01 -0.38320093237969D-06
|
|
3 1 2 2 0.12771899114767D+01 0.81676439274214D-06
|
|
1 2 2 2 -0.10450992116842D+02 0.11330204792378D-05
|
|
2 2 2 2 -0.12150508196666D+02 0.88817843626302D-15
|
|
3 2 2 2 -0.31125511632898D+01 -0.99638226424171D-06
|
|
1 1 3 2 0.13922174881848D+01 -0.16991906300384D-05
|
|
2 1 3 2 0.12771891237767D+01 -0.25752184736162D-06
|
|
3 1 3 2 0.29318652239931D+01 -0.61136738661654D-06
|
|
1 2 3 2 -0.13985436793471D+00 0.54703867623511D-06
|
|
2 2 3 2 -0.31125511632898D+01 0.99638226490784D-06
|
|
3 2 3 2 -0.22712235215276D+02 -0.24980010814620D-15
|
|
Band: 5
|
|
1 1 1 1 -0.97922235429878D+01 0.90899499225551D-15
|
|
2 1 1 1 -0.12651071714409D+02 -0.41346396625648D-06
|
|
3 1 1 1 0.14886217867011D+01 -0.25991673969371D-05
|
|
1 2 1 1 0.56669659765627D+01 -0.11196773207826D-05
|
|
2 2 1 1 -0.36288649906704D+01 -0.16945800771375D-05
|
|
3 2 1 1 0.78265188119574D+00 0.64209130574831D-06
|
|
1 1 2 1 -0.12651071714409D+02 0.41346396642301D-06
|
|
2 1 2 1 -0.10455169289911D+02 0.41633415913465D-16
|
|
3 1 2 1 -0.14796671939870D+01 -0.34143804380131D-06
|
|
1 2 2 1 -0.36288638108177D+01 0.39396076788851D-06
|
|
2 2 2 1 0.18322266612278D+01 0.26999738139310D-06
|
|
3 2 2 1 -0.91753366870239D+00 -0.12602930056301D-05
|
|
1 1 3 1 0.14886217867011D+01 0.25991673958859D-05
|
|
2 1 3 1 -0.14796671939870D+01 0.34143804548053D-06
|
|
3 1 3 1 -0.21614415704541D+02 0.80491166350125D-15
|
|
1 2 3 1 0.78265522858348D+00 -0.15240134230887D-05
|
|
2 2 3 1 -0.91753989603989D+00 -0.21969712486509D-05
|
|
3 2 3 1 0.36599406442026D+01 -0.10773295058846D-05
|
|
1 1 1 2 0.56669659765627D+01 0.11196773187564D-05
|
|
2 1 1 2 -0.36288638108177D+01 -0.39396076974814D-06
|
|
3 1 1 2 0.78265522858348D+00 0.15240134234079D-05
|
|
1 2 1 2 -0.97922266568877D+01 0.77715611815849D-15
|
|
2 2 1 2 -0.12651072573287D+02 -0.12388699665363D-05
|
|
3 2 1 2 0.14886162326978D+01 -0.12750855420035D-05
|
|
1 1 2 2 -0.36288649906704D+01 0.16945800768877D-05
|
|
2 1 2 2 0.18322266612278D+01 -0.26999738078248D-06
|
|
3 1 2 2 -0.91753989603989D+00 0.21969712489631D-05
|
|
1 2 2 2 -0.12651072573287D+02 0.12388699694228D-05
|
|
2 2 2 2 -0.10455170661143D+02 0.33306685008631D-15
|
|
3 2 2 2 -0.14796617251129D+01 -0.23825277983436D-05
|
|
1 1 3 2 0.78265188119574D+00 -0.64209130531810D-06
|
|
2 1 3 2 -0.91753366870239D+00 0.12602930065321D-05
|
|
3 1 3 2 0.36599406442026D+01 0.10773295059123D-05
|
|
1 2 3 2 0.14886162326978D+01 0.12750855416011D-05
|
|
2 2 3 2 -0.14796617251129D+01 0.23825277979827D-05
|
|
3 2 3 2 -0.21614422231913D+02 0.55511111292328D-16
|
|
Band: 6
|
|
1 1 1 1 -0.42231666452385D+01 0.69388899852602D-15
|
|
2 1 1 1 0.94415951340602D+01 -0.22552809357386D-05
|
|
3 1 1 1 -0.65510741330473D+01 -0.54405111297835D-07
|
|
1 2 1 1 0.13899725122249D+02 -0.62845940054289D-06
|
|
2 2 1 1 0.54586767486530D+01 -0.39202278086184D-05
|
|
3 2 1 1 -0.18169085350721D+01 0.17542549731307D-06
|
|
1 1 2 1 0.94415951340602D+01 0.22552809343786D-05
|
|
2 1 2 1 -0.42671133461414D+01 0.13877741054432D-15
|
|
3 1 2 1 -0.35899468590248D+01 0.33769615686728D-05
|
|
1 2 2 1 0.54586776917479D+01 -0.13609890087357D-05
|
|
2 2 2 1 0.17020602424246D+02 -0.44635288677895D-05
|
|
3 2 2 1 -0.10955946952039D+00 -0.16854755059871D-05
|
|
1 1 3 1 -0.65510741330473D+01 0.54405111630902D-07
|
|
2 1 3 1 -0.35899468590248D+01 -0.33769615693494D-05
|
|
3 1 3 1 -0.10512413675851D+02 0.22204456751288D-15
|
|
1 2 3 1 -0.18168952679455D+01 -0.25781866993466D-05
|
|
2 2 3 1 -0.10954708406480D+00 -0.12881733313667D-05
|
|
3 2 3 1 -0.23316742943856D+01 0.24257388775596D-06
|
|
1 1 1 2 0.13899725122249D+02 0.62845939843347D-06
|
|
2 1 1 2 0.54586776917479D+01 0.13609890086039D-05
|
|
3 1 1 2 -0.18168952679455D+01 0.25781866986249D-05
|
|
1 2 1 2 -0.42231852099962D+01 0.44408955604676D-15
|
|
2 2 1 2 0.94415778955968D+01 -0.36288550139409D-05
|
|
3 2 1 2 -0.65510894870966D+01 0.36740163982205D-06
|
|
1 1 2 2 0.54586767486530D+01 0.39202278077719D-05
|
|
2 1 2 2 0.17020602424246D+02 0.44635288702875D-05
|
|
3 1 2 2 -0.10954708406479D+00 0.12881733320744D-05
|
|
1 2 2 2 0.94415778955968D+01 0.36288550141630D-05
|
|
2 2 2 2 -0.42671287976988D+01 -0.65225622788043D-15
|
|
3 2 2 2 -0.35899643972158D+01 -0.11146093648123D-05
|
|
1 1 3 2 -0.18169085350721D+01 -0.17542549625489D-06
|
|
2 1 3 2 -0.10955946952039D+00 0.16854755057824D-05
|
|
3 1 3 2 -0.23316742943856D+01 -0.24257388707075D-06
|
|
1 2 3 2 -0.65510894870966D+01 -0.36740163947857D-06
|
|
2 2 3 2 -0.35899643972158D+01 0.11146093652703D-05
|
|
3 2 3 2 -0.10512420771207D+02 0.13877777880032D-16
|
|
Band: 7
|
|
1 1 1 1 -0.23589810564289D+01 0.40592528619749D-15
|
|
2 1 1 1 -0.94510592661742D+01 -0.17139063692770D-05
|
|
3 1 1 1 -0.14872611851412D+01 -0.17289025693638D-05
|
|
1 2 1 1 0.48893458235828D+01 0.16587311682409D-05
|
|
2 2 1 1 -0.30851778039487D+01 0.62714081407206D-06
|
|
3 2 1 1 -0.22477803080759D+01 -0.24333306012556D-05
|
|
1 1 2 1 -0.94510592661742D+01 0.17139063689388D-05
|
|
2 1 2 1 -0.14006527676645D+01 0.22204461125975D-15
|
|
3 1 2 1 -0.85846082876013D+00 -0.89749673637142D-06
|
|
1 2 2 1 -0.30851748930530D+01 0.16577535875855D-06
|
|
2 2 2 1 0.58251552922471D+01 0.36656423152140D-06
|
|
3 2 2 1 -0.16473004709629D+01 -0.47842447881143D-06
|
|
1 1 3 1 -0.14872611851412D+01 0.17289025693030D-05
|
|
2 1 3 1 -0.85846082876013D+00 0.89749673512589D-06
|
|
3 1 3 1 -0.83902838776982D+01 -0.11345091974396D-14
|
|
1 2 3 1 -0.22477783931751D+01 -0.42497081367674D-06
|
|
2 2 3 1 -0.16473005185296D+01 -0.19820311588535D-05
|
|
3 2 3 1 -0.34256871512124D+00 0.60556455916625D-06
|
|
1 1 1 2 0.48893458235828D+01 -0.16587311685653D-05
|
|
2 1 1 2 -0.30851748930530D+01 -0.16577535893982D-06
|
|
3 1 1 2 -0.22477783931751D+01 0.42497081314939D-06
|
|
1 2 1 2 -0.23589849930916D+01 0.68521585836412D-15
|
|
2 2 1 2 -0.94510587729958D+01 -0.51157761182990D-07
|
|
3 2 1 2 -0.14872617619024D+01 -0.72661455046284D-06
|
|
1 1 2 2 -0.30851778039487D+01 -0.62714081390206D-06
|
|
2 1 2 2 0.58251552922471D+01 -0.36656423118659D-06
|
|
3 1 2 2 -0.16473005185296D+01 0.19820311591276D-05
|
|
1 2 2 2 -0.94510587729958D+01 0.51157762041678D-07
|
|
2 2 2 2 -0.14006509177206D+01 -0.41633374149932D-16
|
|
3 2 2 2 -0.85845840373084D+00 -0.26240877619920D-06
|
|
1 1 3 2 -0.22477803080759D+01 0.24333306015340D-05
|
|
2 1 3 2 -0.16473004709629D+01 0.47842447888775D-06
|
|
3 1 3 2 -0.34256871512124D+00 -0.60556455898584D-06
|
|
1 2 3 2 -0.14872617619024D+01 0.72661455162857D-06
|
|
2 2 3 2 -0.85845840373084D+00 0.26240877594593D-06
|
|
3 2 3 2 -0.83902964611544D+01 -0.70776719368232D-15
|
|
Band: 8
|
|
1 1 1 1 -0.13781507953829D+02 -0.24737155815073D-14
|
|
2 1 1 1 -0.10406395811070D+02 -0.34547710144732D-05
|
|
3 1 1 1 -0.19589069216216D+02 0.20732073824845D-06
|
|
1 2 1 1 -0.10235640433750D+02 0.58156689384933D-06
|
|
2 2 1 1 -0.81553163310102D+01 0.57064582725812D-06
|
|
3 2 1 1 -0.10244007188347D+02 -0.20514662606187D-05
|
|
1 1 2 1 -0.10406395811070D+02 0.34547710133179D-05
|
|
2 1 2 1 -0.14003861867619D+02 0.14363509271433D-14
|
|
3 1 2 1 -0.19704193456916D+02 0.11369386243681D-05
|
|
1 2 2 1 -0.81553117459527D+01 -0.32910015813572D-06
|
|
2 2 2 1 -0.10013075426410D+02 -0.15870507558358D-06
|
|
3 2 2 1 -0.10128742677663D+02 -0.31969212590942D-05
|
|
1 1 3 1 -0.19589069216216D+02 -0.20732074093727D-06
|
|
2 1 3 1 -0.19704193456916D+02 -0.11369386218320D-05
|
|
3 1 3 1 -0.27983544215284D+02 0.22898341745505D-15
|
|
1 2 3 1 -0.10244017215660D+02 0.37316534603555D-05
|
|
2 2 3 1 -0.10128755980396D+02 0.26515136147804D-05
|
|
3 2 3 1 -0.80648560466104D+01 0.54685171500559D-06
|
|
1 1 1 2 -0.10235640433750D+02 -0.58156689348157D-06
|
|
2 1 1 2 -0.81553117459527D+01 0.32910015920344D-06
|
|
3 1 1 2 -0.10244017215660D+02 -0.37316534606885D-05
|
|
1 2 1 2 -0.13781502044259D+02 0.18388068544779D-14
|
|
2 2 1 2 -0.10406383156720D+02 0.20598473037037D-05
|
|
3 2 1 2 -0.19589061150695D+02 0.73826542292214D-06
|
|
1 1 2 2 -0.81553163310102D+01 -0.57064582999551D-06
|
|
2 1 2 2 -0.10013075426410D+02 0.15870507208637D-06
|
|
3 1 2 2 -0.10128755980396D+02 -0.26515136158212D-05
|
|
1 2 2 2 -0.10406383156720D+02 -0.20598473007755D-05
|
|
2 2 2 2 -0.14003843685775D+02 -0.33306703176129D-15
|
|
3 2 2 2 -0.19704181779064D+02 -0.38241674118746D-06
|
|
1 1 3 2 -0.10244007188347D+02 0.20514662607090D-05
|
|
2 1 3 2 -0.10128742677663D+02 0.31969212584316D-05
|
|
3 1 3 2 -0.80648560466104D+01 -0.54685171535947D-06
|
|
1 2 3 2 -0.19589061150695D+02 -0.73826542360215D-06
|
|
2 2 3 2 -0.19704181779064D+02 0.38241673957763D-06
|
|
3 2 3 2 -0.27983546242834D+02 -0.13877787992638D-14
|