./iterations/neb0_image02_iter16_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 0.365384102654E+03 0.36538E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.426770410784E+01 -0.36112E+03 -0.34714E+03 839 0.195E+02
DAV: 3 -0.953212592793E+02 -0.99589E+02 -0.99242E+02 688 0.116E+02
DAV: 4 -0.998030259251E+02 -0.44818E+01 -0.44694E+01 704 0.277E+01
DAV: 5 -0.998897058491E+02 -0.86680E-01 -0.86631E-01 736 0.346E+00 0.220E+01
DAV: 6 -0.911846584476E+02 0.87050E+01 -0.31526E+01 696 0.302E+01 0.115E+01
DAV: 7 -0.904028740853E+02 0.78178E+00 -0.18433E+00 720 0.636E+00 0.482E+00
DAV: 8 -0.900215430800E+02 0.38133E+00 -0.56497E-01 704 0.434E+00 0.172E+00
DAV: 9 -0.899288157972E+02 0.92727E-01 -0.13934E-01 712 0.165E+00 0.435E-01
DAV: 10 -0.899217945056E+02 0.70213E-02 -0.42596E-02 728 0.112E+00 0.310E-01
DAV: 11 -0.899259976740E+02 -0.42032E-02 -0.67452E-03 608 0.504E-01 0.118E-01
DAV: 12 -0.899292116664E+02 -0.32140E-02 -0.53463E-03 632 0.352E-01 0.126E-01
DAV: 13 -0.899321399238E+02 -0.29283E-02 -0.19570E-03 848 0.362E-01 0.810E-02
DAV: 14 -0.899350341546E+02 -0.28942E-02 -0.11726E-03 636 0.150E-01 0.618E-02
DAV: 15 -0.899371893023E+02 -0.21551E-02 -0.42474E-04 856 0.126E-01 0.297E-02
DAV: 16 -0.899384795016E+02 -0.12902E-02 -0.32128E-04 685 0.926E-02 0.292E-02
DAV: 17 -0.899391826960E+02 -0.70319E-03 -0.10120E-04 794 0.635E-02 0.151E-02
DAV: 18 -0.899396143887E+02 -0.43169E-03 -0.10281E-04 650 0.507E-02 0.116E-02
DAV: 19 -0.899396578116E+02 -0.43423E-04 -0.41507E-06 520 0.158E-02 0.854E-03
DAV: 20 -0.899397353843E+02 -0.77573E-04 -0.35159E-05 594 0.382E-02 0.758E-03
DAV: 21 -0.899397654476E+02 -0.30063E-04 -0.72541E-06 488 0.228E-02 0.330E-03
DAV: 22 -0.899397809938E+02 -0.15546E-04 -0.70887E-06 448 0.130E-02 0.182E-03
DAV: 23 -0.899397841954E+02 -0.32016E-05 -0.13198E-06 512 0.574E-03
1 F= -.89939784E+02 E0= -.89944625E+02 d E =0.145239E-01