./iterations/neb0_image09_iter162_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 0.374038334468E+03 0.37404E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.329070830999E+01 -0.37075E+03 -0.35795E+03 869 0.196E+02
DAV: 3 -0.964875968178E+02 -0.99778E+02 -0.99448E+02 645 0.117E+02
DAV: 4 -0.101213169760E+03 -0.47256E+01 -0.47145E+01 720 0.295E+01
DAV: 5 -0.101307549741E+03 -0.94380E-01 -0.94339E-01 728 0.377E+00 0.227E+01
DAV: 6 -0.926598046364E+02 0.86477E+01 -0.30919E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918015782016E+02 0.85823E+00 -0.17226E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914277251262E+02 0.37385E+00 -0.54201E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913456658615E+02 0.82059E-01 -0.13164E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913372817212E+02 0.83841E-02 -0.42888E-02 760 0.108E+00 0.297E-01
DAV: 11 -0.913415587653E+02 -0.42770E-02 -0.11515E-02 616 0.556E-01 0.134E-01
DAV: 12 -0.913447095693E+02 -0.31508E-02 -0.27039E-03 634 0.248E-01 0.997E-02
DAV: 13 -0.913482559085E+02 -0.35463E-02 -0.10945E-03 661 0.171E-01 0.485E-02
DAV: 14 -0.913517670445E+02 -0.35111E-02 -0.85515E-04 656 0.179E-01 0.362E-02
DAV: 15 -0.913529252146E+02 -0.11582E-02 -0.16205E-04 752 0.853E-02 0.342E-02
DAV: 16 -0.913542824567E+02 -0.13572E-02 -0.28072E-04 645 0.899E-02 0.143E-02
DAV: 17 -0.913548279134E+02 -0.54546E-03 -0.69204E-05 688 0.493E-02 0.132E-02
DAV: 18 -0.913550554594E+02 -0.22755E-03 -0.38847E-05 600 0.323E-02 0.845E-03
DAV: 19 -0.913551455341E+02 -0.90075E-04 -0.97216E-06 496 0.159E-02 0.452E-03
DAV: 20 -0.913551814530E+02 -0.35919E-04 -0.61853E-06 440 0.133E-02 0.193E-03
DAV: 21 -0.913552009615E+02 -0.19508E-04 -0.39327E-06 442 0.100E-02 0.198E-03
DAV: 22 -0.913552043540E+02 -0.33925E-05 -0.78236E-07 488 0.410E-03
1 F= -.91355204E+02 E0= -.91359916E+02 d E =0.141340E-01