iterations/neb0_image04_iter156_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 0.363928999507E+03 0.36393E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.954776623290E+00 -0.36297E+03 -0.35014E+03 874 0.193E+02
DAV: 3 -0.958100419129E+02 -0.96765E+02 -0.96440E+02 658 0.115E+02
DAV: 4 -0.100132044185E+03 -0.43220E+01 -0.43119E+01 720 0.281E+01
DAV: 5 -0.100213588413E+03 -0.81544E-01 -0.81515E-01 736 0.351E+00 0.223E+01
DAV: 6 -0.915428411821E+02 0.86707E+01 -0.30848E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906957734876E+02 0.84707E+00 -0.17933E+00 712 0.628E+00 0.482E+00
DAV: 8 -0.902951590640E+02 0.40061E+00 -0.54386E-01 704 0.417E+00 0.166E+00
DAV: 9 -0.901980036660E+02 0.97155E-01 -0.13573E-01 728 0.164E+00 0.433E-01
DAV: 10 -0.901890266441E+02 0.89770E-02 -0.43918E-02 712 0.108E+00 0.328E-01
DAV: 11 -0.901936073112E+02 -0.45807E-02 -0.80393E-03 616 0.593E-01 0.120E-01
DAV: 12 -0.901964156167E+02 -0.28083E-02 -0.41559E-03 653 0.297E-01 0.135E-01
DAV: 13 -0.901999565563E+02 -0.35409E-02 -0.25672E-03 704 0.362E-01 0.734E-02
DAV: 14 -0.902034592471E+02 -0.35027E-02 -0.10110E-03 644 0.149E-01 0.613E-02
DAV: 15 -0.902058120867E+02 -0.23528E-02 -0.50927E-04 672 0.135E-01 0.228E-02
DAV: 16 -0.902075657176E+02 -0.17536E-02 -0.21138E-04 666 0.668E-02 0.208E-02
DAV: 17 -0.902083941071E+02 -0.82839E-03 -0.88433E-05 669 0.460E-02 0.164E-02
DAV: 18 -0.902087099854E+02 -0.31588E-03 -0.55110E-05 664 0.406E-02 0.667E-03
DAV: 19 -0.902088368308E+02 -0.12685E-03 -0.12149E-05 474 0.221E-02 0.302E-03
DAV: 20 -0.902089069435E+02 -0.70113E-04 -0.80049E-06 445 0.115E-02 0.235E-03
DAV: 21 -0.902089461107E+02 -0.39167E-04 -0.49820E-06 461 0.801E-03 0.166E-03
DAV: 22 -0.902089550647E+02 -0.89539E-05 -0.15948E-06 488 0.518E-03
1 F= -.90208955E+02 E0= -.90218163E+02 d E =0.276231E-01