iterations/neb0_image01_iter1_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 0.367183056578E+03 0.36718E+03 -0.14307E+04 624 0.799E+02
DAV: 2 0.261942653321E+01 -0.36456E+03 -0.35281E+03 847 0.196E+02
DAV: 3 -0.954811831831E+02 -0.98101E+02 -0.97795E+02 653 0.116E+02
DAV: 4 -0.999996478955E+02 -0.45185E+01 -0.45078E+01 720 0.289E+01
DAV: 5 -0.100093142169E+03 -0.93494E-01 -0.93460E-01 736 0.368E+00 0.225E+01
DAV: 6 -0.913232654094E+02 0.87699E+01 -0.31221E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.904819719489E+02 0.84129E+00 -0.18226E+00 720 0.632E+00 0.486E+00
DAV: 8 -0.901026748518E+02 0.37930E+00 -0.56654E-01 728 0.436E+00 0.168E+00
DAV: 9 -0.900219579978E+02 0.80717E-01 -0.13412E-01 720 0.166E+00 0.437E-01
DAV: 10 -0.900164965283E+02 0.54615E-02 -0.39925E-02 712 0.117E+00 0.311E-01
DAV: 11 -0.900203273357E+02 -0.38308E-02 -0.71222E-03 608 0.527E-01 0.132E-01
DAV: 12 -0.900224983575E+02 -0.21710E-02 -0.25295E-03 664 0.282E-01 0.918E-02
DAV: 13 -0.900261086192E+02 -0.36103E-02 -0.98586E-04 612 0.193E-01 0.761E-02
DAV: 14 -0.900286641942E+02 -0.25556E-02 -0.66562E-04 672 0.154E-01 0.374E-02
DAV: 15 -0.900305624600E+02 -0.18983E-02 -0.22924E-04 717 0.882E-02 0.307E-02
DAV: 16 -0.900319311692E+02 -0.13687E-02 -0.16602E-04 765 0.824E-02 0.190E-02
DAV: 17 -0.900326401445E+02 -0.70898E-03 -0.81708E-05 680 0.421E-02 0.163E-02
DAV: 18 -0.900331316560E+02 -0.49151E-03 -0.81142E-05 757 0.580E-02 0.932E-03
DAV: 19 -0.900333605549E+02 -0.22890E-03 -0.20355E-05 536 0.263E-02 0.643E-03
DAV: 20 -0.900334570424E+02 -0.96488E-04 -0.18109E-05 546 0.230E-02 0.350E-03
DAV: 21 -0.900335108345E+02 -0.53792E-04 -0.54618E-06 458 0.169E-02 0.160E-03
DAV: 22 -0.900335366229E+02 -0.25788E-04 -0.37526E-06 442 0.741E-03 0.176E-03
DAV: 23 -0.900335462666E+02 -0.96437E-05 -0.16156E-06 463 0.827E-03
1 F= -.90033546E+02 E0= -.90046670E+02 d E =0.393704E-01