./iterations/neb0_image03_iter139_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 0.365665947009E+03 0.36567E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.221433208264E+01 -0.36345E+03 -0.35111E+03 853 0.195E+02
DAV: 3 -0.958864169546E+02 -0.98101E+02 -0.97777E+02 680 0.116E+02
DAV: 4 -0.100205195152E+03 -0.43188E+01 -0.43089E+01 704 0.277E+01
DAV: 5 -0.100289805011E+03 -0.84610E-01 -0.84578E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916995330125E+02 0.85903E+01 -0.30654E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.908528203264E+02 0.84671E+00 -0.18280E+00 712 0.649E+00 0.484E+00
DAV: 8 -0.904483347425E+02 0.40449E+00 -0.57969E-01 704 0.451E+00 0.169E+00
DAV: 9 -0.903532891737E+02 0.95046E-01 -0.13042E-01 704 0.192E+00 0.482E-01
DAV: 10 -0.903436054647E+02 0.96837E-02 -0.40963E-02 720 0.102E+00 0.351E-01
DAV: 11 -0.903454046505E+02 -0.17992E-02 -0.63400E-03 712 0.608E-01 0.159E-01
DAV: 12 -0.903477201087E+02 -0.23155E-02 -0.44502E-03 618 0.361E-01 0.118E-01
DAV: 13 -0.903524437031E+02 -0.47236E-02 -0.30064E-03 645 0.297E-01 0.838E-02
DAV: 14 -0.903575079863E+02 -0.50643E-02 -0.12176E-03 636 0.180E-01 0.559E-02
DAV: 15 -0.903588402903E+02 -0.13323E-02 -0.27365E-04 712 0.946E-02 0.229E-02
DAV: 16 -0.903606093181E+02 -0.17690E-02 -0.16448E-04 655 0.626E-02 0.124E-02
DAV: 17 -0.903615688244E+02 -0.95951E-03 -0.79760E-05 624 0.376E-02 0.874E-03
DAV: 18 -0.903619296544E+02 -0.36083E-03 -0.51443E-05 642 0.338E-02 0.671E-03
DAV: 19 -0.903619847824E+02 -0.55128E-04 -0.58086E-06 536 0.216E-02 0.359E-03
DAV: 20 -0.903620580901E+02 -0.73308E-04 -0.13884E-05 418 0.211E-02 0.462E-03
DAV: 21 -0.903620922509E+02 -0.34161E-04 -0.49771E-06 464 0.136E-02 0.268E-03
DAV: 22 -0.903621013615E+02 -0.91106E-05 -0.50537E-06 504 0.145E-02
1 F= -.90362101E+02 E0= -.90370875E+02 d E =0.263208E-01