iterations/neb0_image02_iter83_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 0.365344125068E+03 0.36534E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.414269689698E+01 -0.36120E+03 -0.34647E+03 834 0.195E+02
DAV: 3 -0.957181314547E+02 -0.99861E+02 -0.99531E+02 685 0.116E+02
DAV: 4 -0.100198544262E+03 -0.44804E+01 -0.44697E+01 696 0.278E+01
DAV: 5 -0.100285239731E+03 -0.86695E-01 -0.86651E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916532723405E+02 0.86320E+01 -0.31052E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908307702908E+02 0.82250E+00 -0.18398E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904428632773E+02 0.38791E+00 -0.55758E-01 688 0.426E+00 0.169E+00
DAV: 9 -0.903516953025E+02 0.91168E-01 -0.13952E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903452203749E+02 0.64749E-02 -0.48839E-02 696 0.128E+00 0.326E-01
DAV: 11 -0.903489913318E+02 -0.37710E-02 -0.76039E-03 616 0.502E-01 0.141E-01
DAV: 12 -0.903524432615E+02 -0.34519E-02 -0.72270E-03 615 0.461E-01 0.134E-01
DAV: 13 -0.903550158093E+02 -0.25725E-02 -0.15503E-03 912 0.332E-01 0.785E-02
DAV: 14 -0.903581857991E+02 -0.31700E-02 -0.14277E-03 634 0.183E-01 0.587E-02
DAV: 15 -0.903604711963E+02 -0.22854E-02 -0.37762E-04 680 0.108E-01 0.454E-02
DAV: 16 -0.903619275442E+02 -0.14563E-02 -0.73648E-04 653 0.155E-01 0.342E-02
DAV: 17 -0.903628000376E+02 -0.87249E-03 -0.16690E-04 778 0.884E-02 0.211E-02
DAV: 18 -0.903629550354E+02 -0.15500E-03 -0.48803E-05 704 0.361E-02 0.101E-02
DAV: 19 -0.903631568252E+02 -0.20179E-03 -0.35532E-05 567 0.296E-02 0.414E-03
DAV: 20 -0.903631980762E+02 -0.41251E-04 -0.34947E-06 480 0.108E-02 0.483E-03
DAV: 21 -0.903632459402E+02 -0.47864E-04 -0.67375E-06 417 0.153E-02 0.383E-03
DAV: 22 -0.903632605534E+02 -0.14613E-04 -0.38249E-06 477 0.114E-02 0.242E-03
DAV: 23 -0.903632619790E+02 -0.14256E-05 -0.22271E-06 544 0.873E-03
1 F= -.90363262E+02 E0= -.90368737E+02 d E =0.164236E-01