./iterations/neb0_image06_iter218_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 0.372969590535E+03 0.37297E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.412007510318E+01 -0.36885E+03 -0.35646E+03 874 0.194E+02
DAV: 3 -0.954484557992E+02 -0.99569E+02 -0.99213E+02 656 0.116E+02
DAV: 4 -0.100255757443E+03 -0.48073E+01 -0.47925E+01 728 0.292E+01
DAV: 5 -0.100355788223E+03 -0.10003E+00 -0.99986E-01 733 0.375E+00 0.225E+01
DAV: 6 -0.918120580343E+02 0.85437E+01 -0.30375E+01 696 0.302E+01 0.118E+01
DAV: 7 -0.909912829450E+02 0.82078E+00 -0.17563E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.906155867011E+02 0.37570E+00 -0.55907E-01 696 0.417E+00 0.167E+00
DAV: 9 -0.905261552447E+02 0.89431E-01 -0.12931E-01 712 0.160E+00 0.428E-01
DAV: 10 -0.905159564133E+02 0.10199E-01 -0.36527E-02 744 0.942E-01 0.286E-01
DAV: 11 -0.905201143479E+02 -0.41579E-02 -0.98991E-03 602 0.517E-01 0.154E-01
DAV: 12 -0.905225502869E+02 -0.24359E-02 -0.28796E-03 632 0.305E-01 0.827E-02
DAV: 13 -0.905264715008E+02 -0.39212E-02 -0.16526E-03 628 0.187E-01 0.685E-02
DAV: 14 -0.905298867386E+02 -0.34152E-02 -0.10053E-03 712 0.229E-01 0.385E-02
DAV: 15 -0.905317160154E+02 -0.18293E-02 -0.30021E-04 714 0.101E-01 0.371E-02
DAV: 16 -0.905332808418E+02 -0.15648E-02 -0.37240E-04 703 0.114E-01 0.180E-02
DAV: 17 -0.905339803912E+02 -0.69955E-03 -0.10097E-04 717 0.556E-02 0.135E-02
DAV: 18 -0.905342072018E+02 -0.22681E-03 -0.20737E-05 544 0.186E-02 0.864E-03
DAV: 19 -0.905343489799E+02 -0.14178E-03 -0.25521E-05 487 0.268E-02 0.227E-03
DAV: 20 -0.905343760073E+02 -0.27027E-04 -0.46328E-06 496 0.105E-02 0.286E-03
DAV: 21 -0.905343888670E+02 -0.12860E-04 -0.18576E-06 404 0.591E-03 0.168E-03
DAV: 22 -0.905343908002E+02 -0.19333E-05 -0.85546E-07 488 0.491E-03
1 F= -.90534391E+02 E0= -.90539298E+02 d E =0.147222E-01