iterations/neb0_image09_iter80_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374740178188E+03 0.37474E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.254971257267E+01 -0.37219E+03 -0.35981E+03 877 0.196E+02
DAV: 3 -0.966858898912E+02 -0.99236E+02 -0.98897E+02 656 0.117E+02
DAV: 4 -0.101225555324E+03 -0.45397E+01 -0.45304E+01 696 0.289E+01
DAV: 5 -0.101315466316E+03 -0.89911E-01 -0.89872E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926646270341E+02 0.86508E+01 -0.30852E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918000019472E+02 0.86463E+00 -0.17154E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914230785096E+02 0.37692E+00 -0.54425E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913402312642E+02 0.82847E-01 -0.13103E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913312327346E+02 0.89985E-02 -0.45743E-02 752 0.112E+00 0.304E-01
DAV: 11 -0.913357970258E+02 -0.45643E-02 -0.13379E-02 605 0.599E-01 0.149E-01
DAV: 12 -0.913387674438E+02 -0.29704E-02 -0.30709E-03 631 0.247E-01 0.113E-01
DAV: 13 -0.913425504080E+02 -0.37830E-02 -0.15453E-03 717 0.218E-01 0.441E-02
DAV: 14 -0.913460283476E+02 -0.34779E-02 -0.63452E-04 672 0.141E-01 0.338E-02
DAV: 15 -0.913474111469E+02 -0.13828E-02 -0.13710E-04 712 0.719E-02 0.357E-02
DAV: 16 -0.913487473037E+02 -0.13362E-02 -0.38616E-04 644 0.104E-01 0.217E-02
DAV: 17 -0.913490132198E+02 -0.26592E-03 -0.56700E-05 688 0.592E-02 0.133E-02
DAV: 18 -0.913492547836E+02 -0.24156E-03 -0.49208E-05 626 0.335E-02 0.117E-02
DAV: 19 -0.913493634518E+02 -0.10867E-03 -0.11966E-05 480 0.180E-02 0.538E-03
DAV: 20 -0.913494010106E+02 -0.37559E-04 -0.10281E-05 448 0.191E-02 0.211E-03
DAV: 21 -0.913494233729E+02 -0.22362E-04 -0.44873E-06 433 0.972E-03 0.261E-03
DAV: 22 -0.913494257819E+02 -0.24090E-05 -0.66832E-07 512 0.411E-03
1 F= -.91349426E+02 E0= -.91354177E+02 d E =0.142528E-01