iterations/neb0_image03_iter254_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 0.362822433278E+03 0.36282E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.145917859748E+01 -0.36136E+03 -0.35032E+03 845 0.195E+02
DAV: 3 -0.960244095886E+02 -0.97484E+02 -0.97172E+02 677 0.116E+02
DAV: 4 -0.100279816317E+03 -0.42554E+01 -0.42449E+01 704 0.274E+01
DAV: 5 -0.100363066778E+03 -0.83250E-01 -0.83222E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917113238003E+02 0.86517E+01 -0.31351E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908772108340E+02 0.83411E+00 -0.17891E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904860668144E+02 0.39114E+00 -0.55790E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903946941789E+02 0.91373E-01 -0.13292E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903885346320E+02 0.61595E-02 -0.49894E-02 712 0.125E+00 0.339E-01
DAV: 11 -0.903928173758E+02 -0.42827E-02 -0.86419E-03 688 0.646E-01 0.119E-01
DAV: 12 -0.903961806905E+02 -0.33633E-02 -0.56977E-03 632 0.348E-01 0.127E-01
DAV: 13 -0.904001144376E+02 -0.39337E-02 -0.16761E-03 829 0.311E-01 0.888E-02
DAV: 14 -0.904031904009E+02 -0.30760E-02 -0.12602E-03 656 0.159E-01 0.605E-02
DAV: 15 -0.904054564916E+02 -0.22661E-02 -0.37836E-04 669 0.104E-01 0.329E-02
DAV: 16 -0.904067764898E+02 -0.13200E-02 -0.40179E-04 669 0.106E-01 0.274E-02
DAV: 17 -0.904075969440E+02 -0.82045E-03 -0.20243E-04 783 0.894E-02 0.126E-02
DAV: 18 -0.904077969717E+02 -0.20003E-03 -0.41986E-05 672 0.336E-02 0.118E-02
DAV: 19 -0.904078860437E+02 -0.89072E-04 -0.14795E-05 482 0.245E-02 0.442E-03
DAV: 20 -0.904079605281E+02 -0.74484E-04 -0.20545E-05 530 0.237E-02 0.538E-03
DAV: 21 -0.904079887010E+02 -0.28173E-04 -0.39490E-06 472 0.110E-02 0.322E-03
DAV: 22 -0.904079928804E+02 -0.41793E-05 -0.18086E-06 544 0.718E-03
1 F= -.90407993E+02 E0= -.90415278E+02 d E =0.218564E-01