iterations/neb0_image04_iter176_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 0.363431356745E+03 0.36343E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.976284003846E+00 -0.36246E+03 -0.34956E+03 863 0.193E+02
DAV: 3 -0.960277021485E+02 -0.97004E+02 -0.96707E+02 666 0.115E+02
DAV: 4 -0.100243427596E+03 -0.42157E+01 -0.42059E+01 696 0.277E+01
DAV: 5 -0.100323045678E+03 -0.79618E-01 -0.79583E-01 736 0.346E+00 0.223E+01
DAV: 6 -0.916220291294E+02 0.87010E+01 -0.31018E+01 703 0.297E+01 0.116E+01
DAV: 7 -0.907579880708E+02 0.86404E+00 -0.17745E+00 696 0.629E+00 0.483E+00
DAV: 8 -0.903486667854E+02 0.40932E+00 -0.57230E-01 704 0.433E+00 0.165E+00
DAV: 9 -0.902556183884E+02 0.93048E-01 -0.12435E-01 712 0.194E+00 0.484E-01
DAV: 10 -0.902457113343E+02 0.99071E-02 -0.33767E-02 720 0.935E-01 0.345E-01
DAV: 11 -0.902479564151E+02 -0.22451E-02 -0.11163E-02 680 0.745E-01 0.248E-01
DAV: 12 -0.902493894148E+02 -0.14330E-02 -0.38312E-03 757 0.585E-01 0.117E-01
DAV: 13 -0.902537922580E+02 -0.44028E-02 -0.30820E-03 620 0.309E-01 0.968E-02
DAV: 14 -0.902571832549E+02 -0.33910E-02 -0.77599E-04 640 0.157E-01 0.441E-02
DAV: 15 -0.902604426059E+02 -0.32594E-02 -0.72767E-04 666 0.134E-01 0.333E-02
DAV: 16 -0.902622492898E+02 -0.18067E-02 -0.20482E-04 712 0.107E-01 0.185E-02
DAV: 17 -0.902635765061E+02 -0.13272E-02 -0.21528E-04 649 0.660E-02 0.216E-02
DAV: 18 -0.902639076797E+02 -0.33117E-03 -0.89707E-05 800 0.721E-02 0.106E-02
DAV: 19 -0.902641539536E+02 -0.24627E-03 -0.50972E-05 641 0.339E-02 0.144E-02
DAV: 20 -0.902641886552E+02 -0.34702E-04 -0.31542E-06 528 0.149E-02 0.104E-02
DAV: 21 -0.902642798537E+02 -0.91198E-04 -0.51717E-05 609 0.447E-02 0.821E-03
DAV: 22 -0.902642890024E+02 -0.91487E-05 -0.55407E-06 504 0.190E-02
1 F= -.90264289E+02 E0= -.90272859E+02 d E =0.257094E-01