iterations/neb0_image03_iter260_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 0.363649017400E+03 0.36365E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.630854885909E+00 -0.36302E+03 -0.35252E+03 853 0.195E+02
DAV: 3 -0.960946452637E+02 -0.96726E+02 -0.96428E+02 661 0.116E+02
DAV: 4 -0.100343017405E+03 -0.42484E+01 -0.42388E+01 712 0.280E+01
DAV: 5 -0.100425271422E+03 -0.82254E-01 -0.82227E-01 744 0.351E+00 0.223E+01
DAV: 6 -0.917318602444E+02 0.86934E+01 -0.31356E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908865005706E+02 0.84536E+00 -0.17969E+00 720 0.634E+00 0.485E+00
DAV: 8 -0.904931707783E+02 0.39333E+00 -0.55637E-01 696 0.427E+00 0.170E+00
DAV: 9 -0.904009896355E+02 0.92181E-01 -0.13348E-01 712 0.167E+00 0.436E-01
DAV: 10 -0.903944897018E+02 0.64999E-02 -0.47784E-02 712 0.120E+00 0.334E-01
DAV: 11 -0.903990452982E+02 -0.45556E-02 -0.83931E-03 624 0.642E-01 0.120E-01
DAV: 12 -0.904019625545E+02 -0.29173E-02 -0.48480E-03 632 0.329E-01 0.116E-01
DAV: 13 -0.904062435098E+02 -0.42810E-02 -0.16293E-03 813 0.277E-01 0.878E-02
DAV: 14 -0.904093245458E+02 -0.30810E-02 -0.10924E-03 664 0.148E-01 0.511E-02
DAV: 15 -0.904116230499E+02 -0.22985E-02 -0.36362E-04 669 0.949E-02 0.268E-02
DAV: 16 -0.904130320942E+02 -0.14090E-02 -0.28042E-04 661 0.840E-02 0.227E-02
DAV: 17 -0.904136672129E+02 -0.63512E-03 -0.84902E-05 712 0.548E-02 0.121E-02
DAV: 18 -0.904139284907E+02 -0.26128E-03 -0.67517E-05 664 0.424E-02 0.133E-02
DAV: 19 -0.904139909762E+02 -0.62485E-04 -0.14412E-05 512 0.300E-02 0.515E-03
DAV: 20 -0.904140697589E+02 -0.78783E-04 -0.21052E-05 517 0.234E-02 0.434E-03
DAV: 21 -0.904141084711E+02 -0.38712E-04 -0.46613E-06 477 0.149E-02 0.192E-03
DAV: 22 -0.904141200401E+02 -0.11569E-04 -0.41242E-06 488 0.107E-02 0.320E-03
DAV: 23 -0.904141241564E+02 -0.41163E-05 -0.10959E-06 434 0.888E-03
1 F= -.90414124E+02 E0= -.90421985E+02 d E =0.235828E-01