iterations/neb0_image03_iter48_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 0.368299957036E+03 0.36830E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.408446075910E+01 -0.36422E+03 -0.35101E+03 845 0.195E+02
DAV: 3 -0.952413133261E+02 -0.99326E+02 -0.98989E+02 648 0.116E+02
DAV: 4 -0.100048703730E+03 -0.48074E+01 -0.47971E+01 712 0.297E+01
DAV: 5 -0.100142785984E+03 -0.94082E-01 -0.94043E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.915266481262E+02 0.86161E+01 -0.30641E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906806310552E+02 0.84602E+00 -0.18623E+00 696 0.639E+00 0.482E+00
DAV: 8 -0.902770384218E+02 0.40359E+00 -0.56251E-01 696 0.429E+00 0.166E+00
DAV: 9 -0.901804570315E+02 0.96581E-01 -0.13918E-01 704 0.171E+00 0.433E-01
DAV: 10 -0.901719055531E+02 0.85515E-02 -0.50397E-02 704 0.125E+00 0.336E-01
DAV: 11 -0.901755621053E+02 -0.36566E-02 -0.89057E-03 616 0.558E-01 0.125E-01
DAV: 12 -0.901785202050E+02 -0.29581E-02 -0.58186E-03 628 0.357E-01 0.135E-01
DAV: 13 -0.901813848140E+02 -0.28646E-02 -0.15407E-03 848 0.341E-01 0.759E-02
DAV: 14 -0.901850301085E+02 -0.36453E-02 -0.12429E-03 634 0.195E-01 0.550E-02
DAV: 15 -0.901874383502E+02 -0.24082E-02 -0.31643E-04 688 0.941E-02 0.393E-02
DAV: 16 -0.901888564263E+02 -0.14181E-02 -0.34078E-04 664 0.100E-01 0.193E-02
DAV: 17 -0.901899849795E+02 -0.11286E-02 -0.10109E-04 594 0.612E-02 0.175E-02
DAV: 18 -0.901903890815E+02 -0.40410E-03 -0.98821E-05 672 0.587E-02 0.808E-03
DAV: 19 -0.901904892006E+02 -0.10012E-03 -0.11997E-05 472 0.200E-02 0.600E-03
DAV: 20 -0.901905603584E+02 -0.71158E-04 -0.17586E-05 487 0.207E-02 0.598E-03
DAV: 21 -0.901905859478E+02 -0.25589E-04 -0.71675E-06 472 0.193E-02 0.605E-03
DAV: 22 -0.901905922145E+02 -0.62667E-05 -0.66402E-06 410 0.216E-02
1 F= -.90190592E+02 E0= -.90198618E+02 d E =0.240776E-01