./iterations/neb0_image03_iter1_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished

       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.403633533507E+03    0.40363E+03   -0.15915E+04   424   0.706E+02 
DAV:   2    -0.130479814798E+02   -0.41668E+03   -0.39808E+03   593   0.166E+02 
DAV:   3    -0.140157302991E+03   -0.12711E+03   -0.12644E+03   528   0.972E+01 
DAV:   4    -0.148973121798E+03   -0.88158E+01   -0.87966E+01   464   0.314E+01 
DAV:   5    -0.149216704018E+03   -0.24358E+00   -0.24347E+00   528   0.478E+00    0.248E+01
DAV:   6    -0.136802386863E+03    0.12414E+02   -0.37740E+01   450   0.257E+01    0.131E+01
DAV:   7    -0.135355998788E+03    0.14464E+01   -0.47222E+00   496   0.881E+00    0.601E+00
DAV:   8    -0.134727475193E+03    0.62852E+00   -0.91455E-01   488   0.436E+00    0.210E+00
DAV:   9    -0.134572792219E+03    0.15468E+00   -0.29357E-01   480   0.217E+00    0.599E-01
DAV:  10    -0.134553249607E+03    0.19543E-01   -0.51013E-02   480   0.963E-01    0.399E-01
DAV:  11    -0.134544745450E+03    0.85042E-02   -0.91319E-03   464   0.437E-01    0.177E-01
DAV:  12    -0.134539660510E+03    0.50849E-02   -0.86656E-03   464   0.316E-01    0.126E-01
DAV:  13    -0.134543502917E+03   -0.38424E-02   -0.43551E-03   465   0.280E-01    0.967E-02
DAV:  14    -0.134549922712E+03   -0.64198E-02   -0.22221E-03   456   0.190E-01    0.608E-02
DAV:  15    -0.134555333711E+03   -0.54110E-02   -0.16360E-03   528   0.154E-01    0.486E-02
DAV:  16    -0.134558851995E+03   -0.35183E-02   -0.35474E-04   456   0.752E-02    0.376E-02
DAV:  17    -0.134561892362E+03   -0.30404E-02   -0.44674E-04   528   0.705E-02    0.126E-02
DAV:  18    -0.134563215643E+03   -0.13233E-02   -0.11999E-04   520   0.383E-02    0.167E-02
DAV:  19    -0.134564032320E+03   -0.81668E-03   -0.68150E-05   496   0.305E-02    0.515E-03
DAV:  20    -0.134564335353E+03   -0.30303E-03   -0.22687E-05   400   0.177E-02    0.669E-03
DAV:  21    -0.134564447582E+03   -0.11223E-03   -0.65310E-06   336   0.109E-02    0.399E-03
DAV:  22    -0.134564480669E+03   -0.33087E-04   -0.32331E-06   344   0.673E-03    0.212E-03
DAV:  23    -0.134564522013E+03   -0.41345E-04   -0.30492E-06   320   0.714E-03    0.927E-04
DAV:  24    -0.134564537186E+03   -0.15172E-04   -0.18823E-06   336   0.404E-03    0.140E-03
DAV:  25    -0.134564539600E+03   -0.24142E-05   -0.40389E-07   360   0.232E-03 
   1 F= -.13456454E+03 E0= -.13457013E+03  d E =0.167758E-01