./iterations/neb0_image08_iter234_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 0.374502010643E+03 0.37450E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.367973240742E+01 -0.37082E+03 -0.35835E+03 869 0.196E+02
DAV: 3 -0.966938218748E+02 -0.10037E+03 -0.10005E+03 664 0.117E+02
DAV: 4 -0.101284809318E+03 -0.45910E+01 -0.45790E+01 720 0.289E+01
DAV: 5 -0.101374696309E+03 -0.89887E-01 -0.89838E-01 736 0.365E+00 0.228E+01
DAV: 6 -0.926669188400E+02 0.87078E+01 -0.30899E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917899734916E+02 0.87695E+00 -0.17381E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914127932077E+02 0.37718E+00 -0.55281E-01 720 0.399E+00 0.160E+00
DAV: 9 -0.913337287917E+02 0.79064E-01 -0.13019E-01 728 0.154E+00 0.419E-01
DAV: 10 -0.913257872496E+02 0.79415E-02 -0.44589E-02 744 0.107E+00 0.301E-01
DAV: 11 -0.913306315323E+02 -0.48443E-02 -0.13307E-02 616 0.598E-01 0.145E-01
DAV: 12 -0.913336670844E+02 -0.30356E-02 -0.28539E-03 631 0.222E-01 0.114E-01
DAV: 13 -0.913375611778E+02 -0.38941E-02 -0.28463E-03 655 0.282E-01 0.611E-02
DAV: 14 -0.913406504135E+02 -0.30892E-02 -0.82951E-04 664 0.156E-01 0.236E-02
DAV: 15 -0.913421286892E+02 -0.14783E-02 -0.14942E-04 664 0.585E-02 0.141E-02
DAV: 16 -0.913431920192E+02 -0.10633E-02 -0.13875E-04 649 0.555E-02 0.115E-02
DAV: 17 -0.913433745222E+02 -0.18250E-03 -0.11709E-05 504 0.216E-02 0.888E-03
DAV: 18 -0.913435535855E+02 -0.17906E-03 -0.36339E-05 596 0.322E-02 0.487E-03
DAV: 19 -0.913435909966E+02 -0.37411E-04 -0.34769E-06 520 0.143E-02 0.303E-03
DAV: 20 -0.913436182906E+02 -0.27294E-04 -0.56810E-06 412 0.124E-02 0.211E-03
DAV: 21 -0.913436297402E+02 -0.11450E-04 -0.17449E-06 458 0.583E-03 0.141E-03
DAV: 22 -0.913436306806E+02 -0.94037E-06 -0.36288E-07 528 0.312E-03
1 F= -.91343631E+02 E0= -.91348814E+02 d E =0.155502E-01