./iterations/neb0_image05_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     0.404308212367E+03    0.40431E+03   -0.15908E+04   424   0.706E+02 
DAV:   2    -0.131350892389E+02   -0.41744E+03   -0.39863E+03   601   0.166E+02 
DAV:   3    -0.140212335117E+03   -0.12708E+03   -0.12643E+03   528   0.973E+01 
DAV:   4    -0.148972771599E+03   -0.87604E+01   -0.87412E+01   464   0.314E+01 
DAV:   5    -0.149214515092E+03   -0.24174E+00   -0.24163E+00   528   0.477E+00    0.248E+01
DAV:   6    -0.136845505849E+03    0.12369E+02   -0.37325E+01   457   0.255E+01    0.131E+01
DAV:   7    -0.135393906319E+03    0.14516E+01   -0.47495E+00   496   0.886E+00    0.600E+00
DAV:   8    -0.134765266910E+03    0.62864E+00   -0.92974E-01   488   0.437E+00    0.209E+00
DAV:   9    -0.134608424005E+03    0.15684E+00   -0.28695E-01   480   0.216E+00    0.596E-01
DAV:  10    -0.134588616365E+03    0.19808E-01   -0.49232E-02   480   0.926E-01    0.404E-01
DAV:  11    -0.134579236064E+03    0.93803E-02   -0.96989E-03   512   0.439E-01    0.170E-01
DAV:  12    -0.134573699253E+03    0.55368E-02   -0.79339E-03   480   0.327E-01    0.129E-01
DAV:  13    -0.134578299069E+03   -0.45998E-02   -0.66704E-03   473   0.332E-01    0.107E-01
DAV:  14    -0.134584456042E+03   -0.61570E-02   -0.22681E-03   488   0.209E-01    0.535E-02
DAV:  15    -0.134589164505E+03   -0.47085E-02   -0.13833E-03   464   0.137E-01    0.477E-02
DAV:  16    -0.134592200750E+03   -0.30362E-02   -0.27538E-04   456   0.667E-02    0.279E-02
DAV:  17    -0.134596368612E+03   -0.41679E-02   -0.61800E-04   488   0.786E-02    0.198E-02
DAV:  18    -0.134597463396E+03   -0.10948E-02   -0.75767E-05   504   0.325E-02    0.165E-02
DAV:  19    -0.134598326460E+03   -0.86306E-03   -0.94627E-05   496   0.343E-02    0.962E-03
DAV:  20    -0.134598716694E+03   -0.39023E-03   -0.27320E-05   400   0.210E-02    0.106E-02
DAV:  21    -0.134598803420E+03   -0.86726E-04   -0.80721E-06   336   0.127E-02    0.629E-03
DAV:  22    -0.134598869804E+03   -0.66384E-04   -0.19281E-05   432   0.155E-02    0.470E-03
DAV:  23    -0.134598905726E+03   -0.35922E-04   -0.34950E-06   336   0.900E-03    0.298E-03
DAV:  24    -0.134598928311E+03   -0.22585E-04   -0.18320E-06   328   0.500E-03    0.200E-03
DAV:  25    -0.134598937596E+03   -0.92850E-05   -0.13188E-06   336   0.411E-03 
   1 F= -.13459894E+03 E0= -.13460504E+03  d E =0.183105E-01