./iterations/neb0_image04_iter193_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 0.363285632832E+03 0.36329E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.112014738132E+01 -0.36217E+03 -0.34935E+03 861 0.193E+02
DAV: 3 -0.961881159879E+02 -0.97308E+02 -0.97012E+02 685 0.115E+02
DAV: 4 -0.100285578197E+03 -0.40975E+01 -0.40876E+01 696 0.268E+01
DAV: 5 -0.100363352115E+03 -0.77774E-01 -0.77747E-01 728 0.334E+00 0.224E+01
DAV: 6 -0.916495787816E+02 0.87138E+01 -0.31137E+01 698 0.298E+01 0.116E+01
DAV: 7 -0.907856075055E+02 0.86397E+00 -0.17894E+00 704 0.630E+00 0.483E+00
DAV: 8 -0.903755954442E+02 0.41001E+00 -0.56755E-01 712 0.426E+00 0.164E+00
DAV: 9 -0.902815340659E+02 0.94061E-01 -0.12517E-01 720 0.189E+00 0.476E-01
DAV: 10 -0.902722223661E+02 0.93117E-02 -0.29769E-02 704 0.884E-01 0.327E-01
DAV: 11 -0.902744203586E+02 -0.21980E-02 -0.11546E-02 656 0.638E-01 0.231E-01
DAV: 12 -0.902764273297E+02 -0.20070E-02 -0.30551E-03 784 0.545E-01 0.122E-01
DAV: 13 -0.902806559758E+02 -0.42286E-02 -0.26918E-03 601 0.313E-01 0.959E-02
DAV: 14 -0.902842241708E+02 -0.35682E-02 -0.10724E-03 661 0.170E-01 0.415E-02
DAV: 15 -0.902871195065E+02 -0.28953E-02 -0.57421E-04 664 0.111E-01 0.344E-02
DAV: 16 -0.902893775529E+02 -0.22580E-02 -0.36880E-04 722 0.133E-01 0.253E-02
DAV: 17 -0.902902649010E+02 -0.88735E-03 -0.11531E-04 669 0.561E-02 0.210E-02
DAV: 18 -0.902905873614E+02 -0.32246E-03 -0.10713E-04 688 0.698E-02 0.899E-03
DAV: 19 -0.902908842260E+02 -0.29686E-03 -0.37232E-05 628 0.292E-02 0.990E-03
DAV: 20 -0.902909697862E+02 -0.85560E-04 -0.61871E-06 488 0.117E-02 0.737E-03
DAV: 21 -0.902910424946E+02 -0.72708E-04 -0.22603E-05 484 0.278E-02 0.319E-03
DAV: 22 -0.902910551836E+02 -0.12689E-04 -0.34144E-06 496 0.103E-02 0.326E-03
DAV: 23 -0.902910580753E+02 -0.28917E-05 -0.91689E-07 464 0.592E-03
1 F= -.90291058E+02 E0= -.90299555E+02 d E =0.254919E-01