iterations/neb0_image09_iter24_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 0.374290943902E+03 0.37429E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.195589385587E+01 -0.37234E+03 -0.35979E+03 885 0.196E+02
DAV: 3 -0.969007441854E+02 -0.98857E+02 -0.98533E+02 672 0.116E+02
DAV: 4 -0.101261671335E+03 -0.43609E+01 -0.43512E+01 696 0.278E+01
DAV: 5 -0.101346356736E+03 -0.84685E-01 -0.84642E-01 736 0.352E+00 0.227E+01
DAV: 6 -0.926299600598E+02 0.87164E+01 -0.30924E+01 701 0.300E+01 0.120E+01
DAV: 7 -0.917308019670E+02 0.89916E+00 -0.16862E+00 728 0.609E+00 0.479E+00
DAV: 8 -0.913493165410E+02 0.38149E+00 -0.53451E-01 712 0.392E+00 0.165E+00
DAV: 9 -0.912659680387E+02 0.83349E-01 -0.13727E-01 712 0.158E+00 0.431E-01
DAV: 10 -0.912572967312E+02 0.86713E-02 -0.42912E-02 776 0.109E+00 0.295E-01
DAV: 11 -0.912614064582E+02 -0.41097E-02 -0.11915E-02 621 0.577E-01 0.135E-01
DAV: 12 -0.912644065790E+02 -0.30001E-02 -0.23896E-03 623 0.231E-01 0.111E-01
DAV: 13 -0.912684864701E+02 -0.40799E-02 -0.21643E-03 653 0.237E-01 0.472E-02
DAV: 14 -0.912715579280E+02 -0.30715E-02 -0.67162E-04 680 0.170E-01 0.308E-02
DAV: 15 -0.912733729591E+02 -0.18150E-02 -0.28103E-04 680 0.869E-02 0.280E-02
DAV: 16 -0.912743015101E+02 -0.92855E-03 -0.15895E-04 704 0.793E-02 0.112E-02
DAV: 17 -0.912750457891E+02 -0.74428E-03 -0.75896E-05 628 0.398E-02 0.144E-02
DAV: 18 -0.912752070345E+02 -0.16125E-03 -0.19178E-05 536 0.293E-02 0.842E-03
DAV: 19 -0.912753622302E+02 -0.15520E-03 -0.41119E-05 598 0.316E-02 0.702E-03
DAV: 20 -0.912753682062E+02 -0.59760E-05 -0.22448E-06 536 0.127E-02
1 F= -.91275368E+02 E0= -.91279973E+02 d E =0.138136E-01