iterations/neb0_image04_iter145_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 0.365097204662E+03 0.36510E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.221834962300E+01 -0.36288E+03 -0.34903E+03 866 0.194E+02
DAV: 3 -0.956656304293E+02 -0.97884E+02 -0.97570E+02 669 0.115E+02
DAV: 4 -0.100099735945E+03 -0.44341E+01 -0.44216E+01 728 0.282E+01
DAV: 5 -0.100184730447E+03 -0.84995E-01 -0.84961E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.915317371012E+02 0.86530E+01 -0.30591E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906770537643E+02 0.85468E+00 -0.18183E+00 712 0.630E+00 0.482E+00
DAV: 8 -0.902745145926E+02 0.40254E+00 -0.56122E-01 704 0.426E+00 0.164E+00
DAV: 9 -0.901795187332E+02 0.94996E-01 -0.13230E-01 720 0.169E+00 0.435E-01
DAV: 10 -0.901705149309E+02 0.90038E-02 -0.47152E-02 712 0.112E+00 0.336E-01
DAV: 11 -0.901760190383E+02 -0.55041E-02 -0.12260E-02 672 0.725E-01 0.172E-01
DAV: 12 -0.901768743725E+02 -0.85533E-03 -0.31539E-03 672 0.356E-01 0.114E-01
DAV: 13 -0.901802016830E+02 -0.33273E-02 -0.18546E-03 612 0.216E-01 0.751E-02
DAV: 14 -0.901845488371E+02 -0.43472E-02 -0.98966E-04 661 0.130E-01 0.379E-02
DAV: 15 -0.901868736503E+02 -0.23248E-02 -0.24528E-04 688 0.845E-02 0.270E-02
DAV: 16 -0.901887796898E+02 -0.19060E-02 -0.29959E-04 660 0.945E-02 0.212E-02
DAV: 17 -0.901894093233E+02 -0.62963E-03 -0.59332E-05 680 0.559E-02 0.114E-02
DAV: 18 -0.901899146776E+02 -0.50535E-03 -0.84973E-05 644 0.424E-02 0.895E-03
DAV: 19 -0.901900284043E+02 -0.11373E-03 -0.10245E-05 474 0.271E-02 0.420E-03
DAV: 20 -0.901901606035E+02 -0.13220E-03 -0.27182E-05 494 0.231E-02 0.514E-03
DAV: 21 -0.901901825361E+02 -0.21933E-04 -0.31370E-06 504 0.175E-02 0.180E-03
DAV: 22 -0.901901939851E+02 -0.11449E-04 -0.45083E-06 418 0.112E-02 0.272E-03
DAV: 23 -0.901902015137E+02 -0.75286E-05 -0.97041E-07 442 0.703E-03
1 F= -.90190202E+02 E0= -.90199307E+02 d E =0.273152E-01