./iterations/neb0_image05_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     0.404526685497E+03    0.40453E+03   -0.15910E+04   424   0.706E+02 
DAV:   2    -0.130924617019E+02   -0.41762E+03   -0.39880E+03   601   0.166E+02 
DAV:   3    -0.140227771998E+03   -0.12714E+03   -0.12649E+03   528   0.973E+01 
DAV:   4    -0.148988077130E+03   -0.87603E+01   -0.87410E+01   464   0.314E+01 
DAV:   5    -0.149229552353E+03   -0.24148E+00   -0.24136E+00   528   0.477E+00    0.248E+01
DAV:   6    -0.136854425049E+03    0.12375E+02   -0.37289E+01   450   0.255E+01    0.131E+01
DAV:   7    -0.135394841671E+03    0.14596E+01   -0.47326E+00   496   0.886E+00    0.600E+00
DAV:   8    -0.134765240309E+03    0.62960E+00   -0.93009E-01   488   0.436E+00    0.209E+00
DAV:   9    -0.134608982980E+03    0.15626E+00   -0.28568E-01   480   0.215E+00    0.595E-01
DAV:  10    -0.134589108172E+03    0.19875E-01   -0.48441E-02   480   0.922E-01    0.403E-01
DAV:  11    -0.134579594959E+03    0.95132E-02   -0.98050E-03   512   0.440E-01    0.169E-01
DAV:  12    -0.134574202842E+03    0.53921E-02   -0.76451E-03   472   0.324E-01    0.128E-01
DAV:  13    -0.134578822529E+03   -0.46197E-02   -0.62687E-03   465   0.320E-01    0.102E-01
DAV:  14    -0.134585179488E+03   -0.63570E-02   -0.24070E-03   488   0.211E-01    0.499E-02
DAV:  15    -0.134589619331E+03   -0.44398E-02   -0.11030E-03   464   0.123E-01    0.471E-02
DAV:  16    -0.134592959664E+03   -0.33403E-02   -0.31602E-04   480   0.680E-02    0.227E-02
DAV:  17    -0.134597045818E+03   -0.40862E-02   -0.53318E-04   464   0.720E-02    0.195E-02
DAV:  18    -0.134598018869E+03   -0.97305E-03   -0.62327E-05   472   0.269E-02    0.163E-02
DAV:  19    -0.134598959771E+03   -0.94090E-03   -0.13250E-04   489   0.409E-02    0.129E-02
DAV:  20    -0.134599237878E+03   -0.27811E-03   -0.22013E-05   368   0.220E-02    0.927E-03
DAV:  21    -0.134599326934E+03   -0.89056E-04   -0.20023E-05   432   0.160E-02    0.421E-03
DAV:  22    -0.134599395528E+03   -0.68594E-04   -0.40089E-06   336   0.114E-02    0.164E-03
DAV:  23    -0.134599433189E+03   -0.37661E-04   -0.25807E-06   336   0.552E-03    0.156E-03
DAV:  24    -0.134599447475E+03   -0.14286E-04   -0.87901E-07   336   0.438E-03    0.805E-04
DAV:  25    -0.134599461994E+03   -0.14519E-04   -0.15118E-06   312   0.428E-03    0.172E-03
DAV:  26    -0.134599464104E+03   -0.21093E-05   -0.40072E-07   336   0.354E-03 
   1 F= -.13459946E+03 E0= -.13460563E+03  d E =0.185081E-01