./iterations/neb1_max2_image01_iter12_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     0.410132785954E+03    0.41013E+03   -0.15911E+04   424   0.706E+02 
DAV:   2    -0.102223769085E+02   -0.42036E+03   -0.40153E+03   601   0.166E+02 
DAV:   3    -0.140954200842E+03   -0.13073E+03   -0.13010E+03   552   0.984E+01 
DAV:   4    -0.148890001400E+03   -0.79358E+01   -0.79212E+01   464   0.299E+01 
DAV:   5    -0.149082897294E+03   -0.19290E+00   -0.19279E+00   528   0.441E+00    0.249E+01
DAV:   6    -0.136609157288E+03    0.12474E+02   -0.36544E+01   450   0.256E+01    0.132E+01
DAV:   7    -0.135085819255E+03    0.15233E+01   -0.47696E+00   496   0.899E+00    0.598E+00
DAV:   8    -0.134459470622E+03    0.62635E+00   -0.87226E-01   488   0.429E+00    0.212E+00
DAV:   9    -0.134287707713E+03    0.17176E+00   -0.27904E-01   480   0.215E+00    0.570E-01
DAV:  10    -0.134262803889E+03    0.24904E-01   -0.67414E-02   488   0.110E+00    0.399E-01
DAV:  11    -0.134253442015E+03    0.93619E-02   -0.12869E-02   472   0.563E-01    0.167E-01
DAV:  12    -0.134250581145E+03    0.28609E-02   -0.60714E-03   456   0.347E-01    0.139E-01
DAV:  13    -0.134254570236E+03   -0.39891E-02   -0.61749E-03   489   0.423E-01    0.102E-01
DAV:  14    -0.134260388314E+03   -0.58181E-02   -0.27716E-03   456   0.238E-01    0.916E-02
DAV:  15    -0.134264831301E+03   -0.44430E-02   -0.15570E-03   488   0.185E-01    0.430E-02
DAV:  16    -0.134269297336E+03   -0.44660E-02   -0.64443E-04   456   0.106E-01    0.423E-02
DAV:  17    -0.134271466519E+03   -0.21692E-02   -0.11942E-04   480   0.424E-02    0.376E-02
DAV:  18    -0.134274207310E+03   -0.27408E-02   -0.46181E-04   520   0.907E-02    0.184E-02
DAV:  19    -0.134275016193E+03   -0.80888E-03   -0.98422E-05   464   0.485E-02    0.114E-02
DAV:  20    -0.134275555054E+03   -0.53886E-03   -0.58022E-05   496   0.275E-02    0.131E-02
DAV:  21    -0.134276019472E+03   -0.46442E-03   -0.32091E-05   393   0.202E-02    0.951E-03
DAV:  22    -0.134276178538E+03   -0.15907E-03   -0.25407E-05   400   0.199E-02    0.385E-03
DAV:  23    -0.134276222900E+03   -0.44362E-04   -0.68877E-06   336   0.137E-02    0.430E-03
DAV:  24    -0.134276255472E+03   -0.32572E-04   -0.36390E-06   320   0.777E-03    0.347E-03
DAV:  25    -0.134276270335E+03   -0.14864E-04   -0.18867E-06   336   0.636E-03    0.179E-03
DAV:  26    -0.134276274479E+03   -0.41432E-05   -0.17127E-06   344   0.597E-03 
   1 F= -.13427627E+03 E0= -.13428222E+03  d E =0.178494E-01