iterations/neb0_image03_iter118_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 0.366489683207E+03 0.36649E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.220919165152E+01 -0.36428E+03 -0.35301E+03 861 0.195E+02
DAV: 3 -0.956839566904E+02 -0.97893E+02 -0.97584E+02 661 0.116E+02
DAV: 4 -0.100180136842E+03 -0.44962E+01 -0.44866E+01 712 0.285E+01
DAV: 5 -0.100269984723E+03 -0.89848E-01 -0.89812E-01 736 0.358E+00 0.222E+01
DAV: 6 -0.916829089256E+02 0.85871E+01 -0.30672E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908416645923E+02 0.84124E+00 -0.18205E+00 704 0.641E+00 0.482E+00
DAV: 8 -0.904395955745E+02 0.40207E+00 -0.56297E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903443132555E+02 0.95282E-01 -0.12894E-01 704 0.187E+00 0.460E-01
DAV: 10 -0.903357400259E+02 0.85732E-02 -0.39210E-02 704 0.100E+00 0.339E-01
DAV: 11 -0.903382168429E+02 -0.24768E-02 -0.77128E-03 781 0.640E-01 0.150E-01
DAV: 12 -0.903402650186E+02 -0.20482E-02 -0.38210E-03 637 0.354E-01 0.118E-01
DAV: 13 -0.903450829981E+02 -0.48180E-02 -0.34669E-03 664 0.344E-01 0.865E-02
DAV: 14 -0.903494886907E+02 -0.44057E-02 -0.93102E-04 647 0.181E-01 0.482E-02
DAV: 15 -0.903513232703E+02 -0.18346E-02 -0.44864E-04 712 0.116E-01 0.251E-02
DAV: 16 -0.903529006583E+02 -0.15774E-02 -0.13946E-04 661 0.655E-02 0.118E-02
DAV: 17 -0.903539432053E+02 -0.10425E-02 -0.11573E-04 608 0.407E-02 0.697E-03
DAV: 18 -0.903542234590E+02 -0.28025E-03 -0.27670E-05 600 0.196E-02 0.435E-03
DAV: 19 -0.903543413856E+02 -0.11793E-03 -0.99974E-06 442 0.139E-02 0.185E-03
DAV: 20 -0.903543751127E+02 -0.33727E-04 -0.51000E-06 464 0.748E-03 0.199E-03
DAV: 21 -0.903543843619E+02 -0.92493E-05 -0.15519E-06 480 0.761E-03
1 F= -.90354384E+02 E0= -.90363011E+02 d E =0.258809E-01