./iterations/neb0_image03_iter17_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     0.403860787145E+03    0.40386E+03   -0.15917E+04   424   0.706E+02 
DAV:   2    -0.133274609500E+02   -0.41719E+03   -0.39832E+03   601   0.166E+02 
DAV:   3    -0.140266148565E+03   -0.12694E+03   -0.12628E+03   528   0.973E+01 
DAV:   4    -0.148995839382E+03   -0.87297E+01   -0.87104E+01   464   0.313E+01 
DAV:   5    -0.149236584555E+03   -0.24075E+00   -0.24064E+00   528   0.476E+00    0.248E+01
DAV:   6    -0.136811753533E+03    0.12425E+02   -0.37696E+01   450   0.257E+01    0.131E+01
DAV:   7    -0.135358309573E+03    0.14534E+01   -0.47252E+00   496   0.883E+00    0.601E+00
DAV:   8    -0.134728736982E+03    0.62957E+00   -0.91877E-01   488   0.436E+00    0.210E+00
DAV:   9    -0.134574301064E+03    0.15444E+00   -0.29366E-01   480   0.217E+00    0.598E-01
DAV:  10    -0.134554746088E+03    0.19555E-01   -0.49230E-02   480   0.944E-01    0.399E-01
DAV:  11    -0.134546012777E+03    0.87333E-02   -0.95377E-03   496   0.437E-01    0.175E-01
DAV:  12    -0.134540756229E+03    0.52565E-02   -0.81414E-03   472   0.311E-01    0.126E-01
DAV:  13    -0.134545426855E+03   -0.46706E-02   -0.54315E-03   465   0.306E-01    0.977E-02
DAV:  14    -0.134551162091E+03   -0.57352E-02   -0.19613E-03   456   0.186E-01    0.605E-02
DAV:  15    -0.134556621967E+03   -0.54599E-02   -0.19096E-03   496   0.162E-01    0.521E-02
DAV:  16    -0.134559426994E+03   -0.28050E-02   -0.36717E-04   488   0.785E-02    0.308E-02
DAV:  17    -0.134563282339E+03   -0.38553E-02   -0.54592E-04   464   0.722E-02    0.140E-02
DAV:  18    -0.134564492426E+03   -0.12101E-02   -0.96942E-05   504   0.327E-02    0.171E-02
DAV:  19    -0.134565155558E+03   -0.66313E-03   -0.59704E-05   496   0.312E-02    0.738E-03
DAV:  20    -0.134565548635E+03   -0.39308E-03   -0.30062E-05   448   0.211E-02    0.804E-03
DAV:  21    -0.134565728623E+03   -0.17999E-03   -0.87834E-06   336   0.109E-02    0.570E-03
DAV:  22    -0.134565786517E+03   -0.57894E-04   -0.88832E-06   368   0.107E-02    0.187E-03
DAV:  23    -0.134565831243E+03   -0.44727E-04   -0.35415E-06   320   0.747E-03    0.275E-03
DAV:  24    -0.134565850894E+03   -0.19650E-04   -0.17927E-06   336   0.395E-03    0.194E-03
DAV:  25    -0.134565856371E+03   -0.54770E-05   -0.18289E-06   344   0.528E-03 
   1 F= -.13456586E+03 E0= -.13457177E+03  d E =0.177349E-01