./iterations/neb0_image08_iter76_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 0.376654412910E+03 0.37665E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.385343678170E+01 -0.37280E+03 -0.35927E+03 869 0.196E+02
DAV: 3 -0.968454022966E+02 -0.10070E+03 -0.10037E+03 696 0.117E+02
DAV: 4 -0.101146597951E+03 -0.43012E+01 -0.42914E+01 696 0.272E+01
DAV: 5 -0.101230610166E+03 -0.84012E-01 -0.83976E-01 736 0.340E+00 0.228E+01
DAV: 6 -0.925810978939E+02 0.86495E+01 -0.30818E+01 693 0.302E+01 0.119E+01
DAV: 7 -0.917083551197E+02 0.87274E+00 -0.16980E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913275373774E+02 0.38082E+00 -0.55494E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912438291190E+02 0.83708E-01 -0.13052E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912343974509E+02 0.94317E-02 -0.48079E-02 728 0.114E+00 0.311E-01
DAV: 11 -0.912391984803E+02 -0.48010E-02 -0.14840E-02 624 0.630E-01 0.161E-01
DAV: 12 -0.912421050241E+02 -0.29065E-02 -0.32651E-03 615 0.250E-01 0.132E-01
DAV: 13 -0.912459743961E+02 -0.38694E-02 -0.22612E-03 709 0.272E-01 0.480E-02
DAV: 14 -0.912490889048E+02 -0.31145E-02 -0.51356E-04 656 0.115E-01 0.377E-02
DAV: 15 -0.912511911744E+02 -0.21023E-02 -0.18368E-04 653 0.625E-02 0.361E-02
DAV: 16 -0.912522644401E+02 -0.10733E-02 -0.36405E-04 658 0.949E-02 0.224E-02
DAV: 17 -0.912525196459E+02 -0.25521E-03 -0.42484E-05 616 0.459E-02 0.139E-02
DAV: 18 -0.912527858563E+02 -0.26621E-03 -0.62117E-05 617 0.364E-02 0.103E-02
DAV: 19 -0.912528169481E+02 -0.31092E-04 -0.74054E-06 520 0.236E-02 0.461E-03
DAV: 20 -0.912528534437E+02 -0.36496E-04 -0.15114E-05 404 0.232E-02 0.492E-03
DAV: 21 -0.912528734765E+02 -0.20033E-04 -0.29691E-06 472 0.885E-03 0.413E-03
DAV: 22 -0.912528796560E+02 -0.61795E-05 -0.24847E-06 426 0.113E-02
1 F= -.91252880E+02 E0= -.91258029E+02 d E =0.154484E-01