./iterations/neb0_image02_iter135_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 0.364483278533E+03 0.36448E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.387578455358E+01 -0.36061E+03 -0.34625E+03 834 0.195E+02
DAV: 3 -0.956048322625E+02 -0.99481E+02 -0.99147E+02 672 0.116E+02
DAV: 4 -0.100216896183E+03 -0.46121E+01 -0.46006E+01 720 0.285E+01
DAV: 5 -0.100305528769E+03 -0.88633E-01 -0.88591E-01 736 0.356E+00 0.222E+01
DAV: 6 -0.916740837924E+02 0.86314E+01 -0.30990E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908593630520E+02 0.81472E+00 -0.18529E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904758448988E+02 0.38352E+00 -0.55650E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903867511336E+02 0.89094E-01 -0.13952E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903808181440E+02 0.59330E-02 -0.49068E-02 704 0.131E+00 0.326E-01
DAV: 11 -0.903843656900E+02 -0.35475E-02 -0.71975E-03 608 0.506E-01 0.150E-01
DAV: 12 -0.903878047370E+02 -0.34390E-02 -0.80697E-03 632 0.496E-01 0.137E-01
DAV: 13 -0.903905170150E+02 -0.27123E-02 -0.18619E-03 944 0.358E-01 0.825E-02
DAV: 14 -0.903935505854E+02 -0.30336E-02 -0.13523E-03 637 0.174E-01 0.619E-02
DAV: 15 -0.903957847345E+02 -0.22341E-02 -0.40454E-04 672 0.109E-01 0.468E-02
DAV: 16 -0.903972558557E+02 -0.14711E-02 -0.73708E-04 661 0.157E-01 0.329E-02
DAV: 17 -0.903981175591E+02 -0.86170E-03 -0.14905E-04 661 0.829E-02 0.230E-02
DAV: 18 -0.903983153088E+02 -0.19775E-03 -0.65736E-05 688 0.401E-02 0.100E-02
DAV: 19 -0.903984840253E+02 -0.16872E-03 -0.34422E-05 554 0.303E-02 0.502E-03
DAV: 20 -0.903985232625E+02 -0.39237E-04 -0.39079E-06 477 0.150E-02 0.517E-03
DAV: 21 -0.903985524708E+02 -0.29208E-04 -0.67636E-06 434 0.156E-02 0.613E-03
DAV: 22 -0.903985759855E+02 -0.23515E-04 -0.50573E-06 469 0.159E-02 0.260E-03
DAV: 23 -0.903985790063E+02 -0.30208E-05 -0.56068E-06 520 0.127E-02
1 F= -.90398579E+02 E0= -.90404467E+02 d E =0.176650E-01