iterations/neb0_image08_iter27_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 0.376011307610E+03 0.37601E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.358987392257E+01 -0.37242E+03 -0.35876E+03 869 0.196E+02
DAV: 3 -0.967124299493E+02 -0.10030E+03 -0.99974E+02 680 0.117E+02
DAV: 4 -0.101088839982E+03 -0.43764E+01 -0.43654E+01 704 0.278E+01
DAV: 5 -0.101172724179E+03 -0.83884E-01 -0.83847E-01 736 0.350E+00 0.228E+01
DAV: 6 -0.924304438766E+02 0.87423E+01 -0.30764E+01 680 0.302E+01 0.120E+01
DAV: 7 -0.915260521160E+02 0.90439E+00 -0.17098E+00 720 0.620E+00 0.480E+00
DAV: 8 -0.911437746957E+02 0.38228E+00 -0.55718E-01 712 0.400E+00 0.165E+00
DAV: 9 -0.910587500507E+02 0.85025E-01 -0.13198E-01 712 0.156E+00 0.436E-01
DAV: 10 -0.910486834190E+02 0.10067E-01 -0.42907E-02 744 0.107E+00 0.296E-01
DAV: 11 -0.910533566352E+02 -0.46732E-02 -0.13129E-02 610 0.598E-01 0.164E-01
DAV: 12 -0.910557990936E+02 -0.24425E-02 -0.21998E-03 656 0.216E-01 0.116E-01
DAV: 13 -0.910603514649E+02 -0.45524E-02 -0.30842E-03 647 0.281E-01 0.606E-02
DAV: 14 -0.910629277891E+02 -0.25763E-02 -0.69879E-04 688 0.170E-01 0.260E-02
DAV: 15 -0.910653179935E+02 -0.23902E-02 -0.31412E-04 634 0.774E-02 0.222E-02
DAV: 16 -0.910661034637E+02 -0.78547E-03 -0.64645E-05 688 0.545E-02 0.904E-03
DAV: 17 -0.910669609439E+02 -0.85748E-03 -0.13556E-04 622 0.565E-02 0.141E-02
DAV: 18 -0.910670478215E+02 -0.86878E-04 -0.83170E-06 520 0.289E-02 0.873E-03
DAV: 19 -0.910671819011E+02 -0.13408E-03 -0.55713E-05 595 0.422E-02 0.824E-03
DAV: 20 -0.910671891410E+02 -0.72399E-05 -0.38269E-06 528 0.170E-02
1 F= -.91067189E+02 E0= -.91071806E+02 d E =0.138519E-01