iterations/neb0_image01_iter60_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 0.366599318096E+03 0.36660E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.344132012910E+01 -0.36316E+03 -0.34973E+03 839 0.195E+02
DAV: 3 -0.957313630318E+02 -0.99173E+02 -0.98832E+02 680 0.116E+02
DAV: 4 -0.100195590678E+03 -0.44642E+01 -0.44550E+01 685 0.283E+01
DAV: 5 -0.100283892600E+03 -0.88302E-01 -0.88250E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916751266306E+02 0.86088E+01 -0.31174E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908634180796E+02 0.81171E+00 -0.18202E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904819662621E+02 0.38145E+00 -0.55748E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.903965528598E+02 0.85413E-01 -0.13730E-01 704 0.165E+00 0.430E-01
DAV: 10 -0.903908595248E+02 0.56933E-02 -0.45715E-02 728 0.127E+00 0.317E-01
DAV: 11 -0.903946214027E+02 -0.37619E-02 -0.68027E-03 616 0.476E-01 0.148E-01
DAV: 12 -0.903980687687E+02 -0.34474E-02 -0.68592E-03 616 0.480E-01 0.124E-01
DAV: 13 -0.904009275618E+02 -0.28588E-02 -0.11852E-03 784 0.294E-01 0.791E-02
DAV: 14 -0.904038462341E+02 -0.29187E-02 -0.17060E-03 631 0.200E-01 0.623E-02
DAV: 15 -0.904060689946E+02 -0.22228E-02 -0.48058E-04 744 0.149E-01 0.431E-02
DAV: 16 -0.904071542178E+02 -0.10852E-02 -0.56890E-04 669 0.133E-01 0.346E-02
DAV: 17 -0.904080945740E+02 -0.94036E-03 -0.17619E-04 726 0.873E-02 0.219E-02
DAV: 18 -0.904082841898E+02 -0.18962E-03 -0.49715E-05 704 0.355E-02 0.144E-02
DAV: 19 -0.904085420603E+02 -0.25787E-03 -0.50123E-05 611 0.365E-02 0.363E-03
DAV: 20 -0.904086033050E+02 -0.61245E-04 -0.49427E-06 480 0.119E-02 0.393E-03
DAV: 21 -0.904086480104E+02 -0.44705E-04 -0.48261E-06 425 0.971E-03 0.234E-03
DAV: 22 -0.904086661391E+02 -0.18129E-04 -0.39382E-06 477 0.840E-03 0.156E-03
DAV: 23 -0.904086678549E+02 -0.17158E-05 -0.60231E-07 536 0.438E-03
1 F= -.90408668E+02 E0= -.90413809E+02 d E =0.154239E-01