./iterations/neb0_image09_iter185_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 0.374333587251E+03 0.37433E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.324238261003E+01 -0.37109E+03 -0.35836E+03 869 0.196E+02
DAV: 3 -0.968375711553E+02 -0.10008E+03 -0.99751E+02 669 0.117E+02
DAV: 4 -0.101284762564E+03 -0.44472E+01 -0.44370E+01 720 0.283E+01
DAV: 5 -0.101371032944E+03 -0.86270E-01 -0.86230E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926851879584E+02 0.86858E+01 -0.30981E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918093121098E+02 0.87588E+00 -0.17232E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914324958057E+02 0.37682E+00 -0.54411E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913513026287E+02 0.81193E-01 -0.13182E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913430840346E+02 0.82186E-02 -0.44946E-02 776 0.112E+00 0.301E-01
DAV: 11 -0.913475217811E+02 -0.44377E-02 -0.12338E-02 624 0.580E-01 0.135E-01
DAV: 12 -0.913506723120E+02 -0.31505E-02 -0.29253E-03 626 0.239E-01 0.114E-01
DAV: 13 -0.913543314963E+02 -0.36592E-02 -0.16213E-03 725 0.221E-01 0.416E-02
DAV: 14 -0.913574266092E+02 -0.30951E-02 -0.49531E-04 664 0.120E-01 0.334E-02
DAV: 15 -0.913591076200E+02 -0.16810E-02 -0.15227E-04 656 0.725E-02 0.321E-02
DAV: 16 -0.913603536573E+02 -0.12460E-02 -0.31413E-04 664 0.873E-02 0.198E-02
DAV: 17 -0.913606067227E+02 -0.25307E-03 -0.50397E-05 672 0.525E-02 0.116E-02
DAV: 18 -0.913608774556E+02 -0.27073E-03 -0.48641E-05 562 0.308E-02 0.103E-02
DAV: 19 -0.913609399103E+02 -0.62455E-04 -0.66447E-06 496 0.182E-02 0.546E-03
DAV: 20 -0.913609734674E+02 -0.33557E-04 -0.18794E-05 456 0.274E-02 0.486E-03
DAV: 21 -0.913609860265E+02 -0.12559E-04 -0.29943E-06 480 0.115E-02 0.385E-03
DAV: 22 -0.913609926361E+02 -0.66096E-05 -0.23942E-06 418 0.909E-03
1 F= -.91360993E+02 E0= -.91365853E+02 d E =0.145808E-01