iterations/neb0_image06_iter205_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 0.370224975480E+03 0.37022E+03 -0.14343E+04 640 0.799E+02
DAV: 2 0.438435534611E+01 -0.36584E+03 -0.35381E+03 858 0.193E+02
DAV: 3 -0.955472618868E+02 -0.99932E+02 -0.99591E+02 664 0.116E+02
DAV: 4 -0.100328034958E+03 -0.47808E+01 -0.47660E+01 728 0.289E+01
DAV: 5 -0.100426861202E+03 -0.98826E-01 -0.98769E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.918840498012E+02 0.85428E+01 -0.30594E+01 693 0.303E+01 0.117E+01
DAV: 7 -0.910736378227E+02 0.81041E+00 -0.17532E+00 704 0.628E+00 0.479E+00
DAV: 8 -0.907003379459E+02 0.37330E+00 -0.53683E-01 704 0.408E+00 0.167E+00
DAV: 9 -0.906095444777E+02 0.90793E-01 -0.12962E-01 704 0.158E+00 0.421E-01
DAV: 10 -0.905992247582E+02 0.10320E-01 -0.38613E-02 728 0.974E-01 0.288E-01
DAV: 11 -0.906034909454E+02 -0.42662E-02 -0.98298E-03 599 0.511E-01 0.147E-01
DAV: 12 -0.906061738625E+02 -0.26829E-02 -0.23798E-03 626 0.261E-01 0.841E-02
DAV: 13 -0.906101810626E+02 -0.40072E-02 -0.14424E-03 636 0.173E-01 0.621E-02
DAV: 14 -0.906135050920E+02 -0.33240E-02 -0.89117E-04 744 0.210E-01 0.362E-02
DAV: 15 -0.906153519099E+02 -0.18468E-02 -0.28688E-04 669 0.929E-02 0.385E-02
DAV: 16 -0.906166715160E+02 -0.13196E-02 -0.33104E-04 717 0.111E-01 0.179E-02
DAV: 17 -0.906173454987E+02 -0.67398E-03 -0.10756E-04 669 0.561E-02 0.140E-02
DAV: 18 -0.906176024795E+02 -0.25698E-03 -0.24339E-05 536 0.220E-02 0.824E-03
DAV: 19 -0.906177326282E+02 -0.13015E-03 -0.21111E-05 473 0.234E-02 0.212E-03
DAV: 20 -0.906177602100E+02 -0.27582E-04 -0.44689E-06 488 0.105E-02 0.198E-03
DAV: 21 -0.906177815036E+02 -0.21294E-04 -0.31507E-06 392 0.595E-03 0.192E-03
DAV: 22 -0.906177831548E+02 -0.16511E-05 -0.45818E-07 528 0.343E-03
1 F= -.90617783E+02 E0= -.90622822E+02 d E =0.151159E-01