./iterations/neb0_image02_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 0.368161459800E+03 0.36816E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.467480186362E+01 -0.36349E+03 -0.34875E+03 834 0.195E+02
DAV: 3 -0.957001183651E+02 -0.10037E+03 -0.10004E+03 688 0.116E+02
DAV: 4 -0.100182235034E+03 -0.44821E+01 -0.44717E+01 696 0.279E+01
DAV: 5 -0.100269233991E+03 -0.86999E-01 -0.86955E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.916604310060E+02 0.86088E+01 -0.30970E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908348608178E+02 0.82557E+00 -0.18250E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904465673490E+02 0.38829E+00 -0.56225E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903564137566E+02 0.90154E-01 -0.13911E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.903499772648E+02 0.64365E-02 -0.48200E-02 704 0.128E+00 0.324E-01
DAV: 11 -0.903536324978E+02 -0.36552E-02 -0.73165E-03 608 0.489E-01 0.148E-01
DAV: 12 -0.903570705288E+02 -0.34380E-02 -0.73949E-03 618 0.476E-01 0.133E-01
DAV: 13 -0.903597706178E+02 -0.27001E-02 -0.14993E-03 936 0.329E-01 0.797E-02
DAV: 14 -0.903628650311E+02 -0.30944E-02 -0.13966E-03 637 0.179E-01 0.568E-02
DAV: 15 -0.903652355637E+02 -0.23705E-02 -0.39852E-04 661 0.111E-01 0.434E-02
DAV: 16 -0.903666642611E+02 -0.14287E-02 -0.63241E-04 656 0.141E-01 0.316E-02
DAV: 17 -0.903675556069E+02 -0.89135E-03 -0.16748E-04 786 0.878E-02 0.189E-02
DAV: 18 -0.903677117891E+02 -0.15618E-03 -0.42936E-05 704 0.342E-02 0.966E-03
DAV: 19 -0.903678998477E+02 -0.18806E-03 -0.30627E-05 524 0.274E-02 0.353E-03
DAV: 20 -0.903679411465E+02 -0.41299E-04 -0.38620E-06 480 0.979E-03 0.449E-03
DAV: 21 -0.903679862769E+02 -0.45130E-04 -0.58967E-06 414 0.136E-02 0.301E-03
DAV: 22 -0.903679982811E+02 -0.12004E-04 -0.36538E-06 477 0.968E-03 0.222E-03
DAV: 23 -0.903680000351E+02 -0.17539E-05 -0.12816E-06 528 0.716E-03
1 F= -.90368000E+02 E0= -.90373725E+02 d E =0.171736E-01