./iterations/neb0_image01_iter3_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 0.367128086319E+03 0.36713E+03 -0.14310E+04 624 0.799E+02
DAV: 2 0.255791702975E+01 -0.36457E+03 -0.35282E+03 850 0.196E+02
DAV: 3 -0.957152308228E+02 -0.98273E+02 -0.97957E+02 664 0.116E+02
DAV: 4 -0.100156111837E+03 -0.44409E+01 -0.44300E+01 712 0.283E+01
DAV: 5 -0.100242398057E+03 -0.86286E-01 -0.86247E-01 736 0.354E+00 0.224E+01
DAV: 6 -0.914180389141E+02 0.88244E+01 -0.31416E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.905934225183E+02 0.82462E+00 -0.18747E+00 712 0.630E+00 0.483E+00
DAV: 8 -0.902150195282E+02 0.37840E+00 -0.54067E-01 712 0.424E+00 0.173E+00
DAV: 9 -0.901267275226E+02 0.88292E-01 -0.14613E-01 736 0.173E+00 0.433E-01
DAV: 10 -0.901213979016E+02 0.53296E-02 -0.44733E-02 728 0.122E+00 0.313E-01
DAV: 11 -0.901254863091E+02 -0.40884E-02 -0.71951E-03 608 0.536E-01 0.123E-01
DAV: 12 -0.901290188044E+02 -0.35325E-02 -0.64446E-03 624 0.431E-01 0.133E-01
DAV: 13 -0.901313048592E+02 -0.22861E-02 -0.20350E-03 842 0.350E-01 0.699E-02
DAV: 14 -0.901345185379E+02 -0.32137E-02 -0.12479E-03 639 0.164E-01 0.578E-02
DAV: 15 -0.901362155656E+02 -0.16970E-02 -0.22103E-04 680 0.891E-02 0.412E-02
DAV: 16 -0.901377057747E+02 -0.14902E-02 -0.70272E-04 668 0.158E-01 0.340E-02
DAV: 17 -0.901383701418E+02 -0.66437E-03 -0.90134E-05 677 0.663E-02 0.266E-02
DAV: 18 -0.901387498551E+02 -0.37971E-03 -0.10749E-04 648 0.533E-02 0.103E-02
DAV: 19 -0.901388602443E+02 -0.11039E-03 -0.29030E-05 557 0.295E-02 0.659E-03
DAV: 20 -0.901389144634E+02 -0.54219E-04 -0.69312E-06 440 0.143E-02 0.729E-03
DAV: 21 -0.901389581538E+02 -0.43690E-04 -0.78151E-06 441 0.173E-02 0.318E-03
DAV: 22 -0.901389641715E+02 -0.60177E-05 -0.82453E-06 528 0.157E-02
1 F= -.90138964E+02 E0= -.90144168E+02 d E =0.156105E-01