iterations/neb0_image08_iter51_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 0.375151939757E+03 0.37515E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.373954095328E+01 -0.37141E+03 -0.35776E+03 869 0.196E+02
DAV: 3 -0.965329333217E+02 -0.10027E+03 -0.99940E+02 680 0.117E+02
DAV: 4 -0.100993838493E+03 -0.44609E+01 -0.44509E+01 688 0.280E+01
DAV: 5 -0.101082911657E+03 -0.89073E-01 -0.89032E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.925241767328E+02 0.85587E+01 -0.30778E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.916770293865E+02 0.84715E+00 -0.16689E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913000493218E+02 0.37698E+00 -0.55751E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912164308747E+02 0.83618E-01 -0.12754E-01 704 0.154E+00 0.423E-01
DAV: 10 -0.912069078956E+02 0.95230E-02 -0.47714E-02 720 0.111E+00 0.310E-01
DAV: 11 -0.912119785508E+02 -0.50707E-02 -0.15086E-02 608 0.629E-01 0.169E-01
DAV: 12 -0.912147112817E+02 -0.27327E-02 -0.31882E-03 636 0.244E-01 0.134E-01
DAV: 13 -0.912187774549E+02 -0.40662E-02 -0.28146E-03 685 0.300E-01 0.551E-02
DAV: 14 -0.912215566107E+02 -0.27792E-02 -0.47016E-04 664 0.115E-01 0.392E-02
DAV: 15 -0.912237814376E+02 -0.22248E-02 -0.21057E-04 653 0.602E-02 0.291E-02
DAV: 16 -0.912247491350E+02 -0.96770E-03 -0.24341E-04 669 0.748E-02 0.190E-02
DAV: 17 -0.912251394749E+02 -0.39034E-03 -0.32719E-05 557 0.328E-02 0.137E-02
DAV: 18 -0.912253628496E+02 -0.22337E-03 -0.43757E-05 626 0.290E-02 0.630E-03
DAV: 19 -0.912253896815E+02 -0.26832E-04 -0.41487E-06 528 0.166E-02 0.311E-03
DAV: 20 -0.912254286497E+02 -0.38968E-04 -0.87003E-06 398 0.171E-02 0.455E-03
DAV: 21 -0.912254424737E+02 -0.13824E-04 -0.18361E-06 472 0.833E-03 0.354E-03
DAV: 22 -0.912254471429E+02 -0.46692E-05 -0.35263E-06 428 0.125E-02
1 F= -.91225447E+02 E0= -.91230355E+02 d E =0.147241E-01