iterations/neb0_image02_iter182_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 0.366663727401E+03 0.36666E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.178585032484E+01 -0.36488E+03 -0.35355E+03 861 0.195E+02
DAV: 3 -0.958482098524E+02 -0.97634E+02 -0.97302E+02 664 0.116E+02
DAV: 4 -0.100226304957E+03 -0.43781E+01 -0.43683E+01 720 0.282E+01
DAV: 5 -0.100310739234E+03 -0.84434E-01 -0.84409E-01 752 0.353E+00 0.222E+01
DAV: 6 -0.916691973984E+02 0.86415E+01 -0.31129E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908601364156E+02 0.80906E+00 -0.18382E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904797403739E+02 0.38040E+00 -0.55117E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903923478106E+02 0.87393E-01 -0.13741E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903868526127E+02 0.54952E-02 -0.50250E-02 712 0.128E+00 0.331E-01
DAV: 11 -0.903904377761E+02 -0.35852E-02 -0.78955E-03 616 0.586E-01 0.125E-01
DAV: 12 -0.903935729554E+02 -0.31352E-02 -0.73417E-03 648 0.441E-01 0.139E-01
DAV: 13 -0.903960227099E+02 -0.24498E-02 -0.20308E-03 864 0.355E-01 0.821E-02
DAV: 14 -0.903992509776E+02 -0.32283E-02 -0.14608E-03 623 0.180E-01 0.714E-02
DAV: 15 -0.904011111450E+02 -0.18602E-02 -0.32432E-04 688 0.104E-01 0.555E-02
DAV: 16 -0.904026045946E+02 -0.14934E-02 -0.11096E-03 677 0.197E-01 0.401E-02
DAV: 17 -0.904033301467E+02 -0.72555E-03 -0.15338E-04 688 0.853E-02 0.291E-02
DAV: 18 -0.904036439118E+02 -0.31377E-03 -0.95690E-05 672 0.470E-02 0.110E-02
DAV: 19 -0.904038201965E+02 -0.17628E-03 -0.48774E-05 650 0.358E-02 0.785E-03
DAV: 20 -0.904038470707E+02 -0.26874E-04 -0.43424E-06 520 0.150E-02 0.605E-03
DAV: 21 -0.904038979104E+02 -0.50840E-04 -0.98736E-06 417 0.161E-02 0.366E-03
DAV: 22 -0.904039070141E+02 -0.91037E-05 -0.44430E-06 488 0.123E-02
1 F= -.90403907E+02 E0= -.90410518E+02 d E =0.198342E-01