./iterations/neb0_image03_iter276_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 0.364321584264E+03 0.36432E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.946859982861E+00 -0.36337E+03 -0.35110E+03 853 0.195E+02
DAV: 3 -0.960900290602E+02 -0.97037E+02 -0.96738E+02 661 0.116E+02
DAV: 4 -0.100376736079E+03 -0.42867E+01 -0.42770E+01 712 0.281E+01
DAV: 5 -0.100458874245E+03 -0.82138E-01 -0.82116E-01 736 0.351E+00 0.224E+01
DAV: 6 -0.917203060903E+02 0.87386E+01 -0.31466E+01 680 0.301E+01 0.118E+01
DAV: 7 -0.908703279011E+02 0.84998E+00 -0.18029E+00 712 0.630E+00 0.485E+00
DAV: 8 -0.904795267078E+02 0.39080E+00 -0.55264E-01 704 0.423E+00 0.170E+00
DAV: 9 -0.903889579505E+02 0.90569E-01 -0.13471E-01 712 0.169E+00 0.436E-01
DAV: 10 -0.903828973647E+02 0.60606E-02 -0.44212E-02 720 0.116E+00 0.324E-01
DAV: 11 -0.903872301992E+02 -0.43328E-02 -0.67894E-03 624 0.577E-01 0.119E-01
DAV: 12 -0.903902613171E+02 -0.30311E-02 -0.40403E-03 624 0.320E-01 0.104E-01
DAV: 13 -0.903946186744E+02 -0.43574E-02 -0.11762E-03 639 0.194E-01 0.807E-02
DAV: 14 -0.903981662759E+02 -0.35476E-02 -0.15076E-03 639 0.180E-01 0.479E-02
DAV: 15 -0.903997343555E+02 -0.15681E-02 -0.17701E-04 688 0.841E-02 0.267E-02
DAV: 16 -0.904015837618E+02 -0.18494E-02 -0.58123E-04 643 0.131E-01 0.354E-02
DAV: 17 -0.904017087070E+02 -0.12495E-03 -0.51401E-05 728 0.534E-02 0.251E-02
DAV: 18 -0.904020357773E+02 -0.32707E-03 -0.10038E-04 625 0.578E-02 0.847E-03
DAV: 19 -0.904023373222E+02 -0.30154E-03 -0.41482E-05 585 0.292E-02 0.799E-03
DAV: 20 -0.904024142485E+02 -0.76926E-04 -0.70733E-06 480 0.131E-02 0.683E-03
DAV: 21 -0.904024590359E+02 -0.44787E-04 -0.14514E-05 471 0.229E-02 0.235E-03
DAV: 22 -0.904024675759E+02 -0.85400E-05 -0.43453E-06 504 0.110E-02
1 F= -.90402468E+02 E0= -.90410902E+02 d E =0.253018E-01