iterations/neb0_image04_iter195_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 0.363165338789E+03 0.36317E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.108062614964E+01 -0.36208E+03 -0.34927E+03 861 0.193E+02
DAV: 3 -0.961456265587E+02 -0.97226E+02 -0.96930E+02 677 0.115E+02
DAV: 4 -0.100279755985E+03 -0.41341E+01 -0.41243E+01 696 0.272E+01
DAV: 5 -0.100358168408E+03 -0.78412E-01 -0.78385E-01 728 0.339E+00 0.223E+01
DAV: 6 -0.916508172497E+02 0.87074E+01 -0.31114E+01 706 0.298E+01 0.117E+01
DAV: 7 -0.907887440902E+02 0.86207E+00 -0.17929E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.903795766295E+02 0.40917E+00 -0.56732E-01 712 0.432E+00 0.168E+00
DAV: 9 -0.902871136611E+02 0.92463E-01 -0.12100E-01 720 0.210E+00 0.516E-01
DAV: 10 -0.902754381625E+02 0.11675E-01 -0.35930E-02 709 0.950E-01 0.374E-01
DAV: 11 -0.902779436152E+02 -0.25055E-02 -0.15677E-02 688 0.970E-01 0.343E-01
DAV: 12 -0.902781191757E+02 -0.17556E-03 -0.57051E-03 744 0.708E-01 0.131E-01
DAV: 13 -0.902826900222E+02 -0.45708E-02 -0.38167E-03 620 0.337E-01 0.116E-01
DAV: 14 -0.902857832978E+02 -0.30933E-02 -0.83184E-04 637 0.235E-01 0.688E-02
DAV: 15 -0.902895150850E+02 -0.37318E-02 -0.75572E-04 650 0.166E-01 0.350E-02
DAV: 16 -0.902910760197E+02 -0.15609E-02 -0.29008E-04 696 0.849E-02 0.228E-02
DAV: 17 -0.902925228724E+02 -0.14469E-02 -0.19141E-04 652 0.762E-02 0.171E-02
DAV: 18 -0.902931079930E+02 -0.58512E-03 -0.59040E-05 672 0.437E-02 0.118E-02
DAV: 19 -0.902933229303E+02 -0.21494E-03 -0.43277E-05 680 0.339E-02 0.875E-03
DAV: 20 -0.902933980002E+02 -0.75070E-04 -0.78631E-06 464 0.257E-02 0.393E-03
DAV: 21 -0.902934723513E+02 -0.74351E-04 -0.19373E-05 444 0.255E-02 0.618E-03
DAV: 22 -0.902935054787E+02 -0.33127E-04 -0.60049E-06 466 0.149E-02 0.471E-03
DAV: 23 -0.902935099007E+02 -0.44219E-05 -0.36744E-06 504 0.125E-02
1 F= -.90293510E+02 E0= -.90301946E+02 d E =0.253072E-01