./iterations/neb1_max2_image01_iter35_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     0.419400634592E+03    0.41940E+03   -0.15807E+04   424   0.706E+02 
DAV:   2    -0.619060424938E+01   -0.42559E+03   -0.40595E+03   608   0.165E+02 
DAV:   3    -0.139579638824E+03   -0.13339E+03   -0.13268E+03   544   0.993E+01 
DAV:   4    -0.148715516526E+03   -0.91359E+01   -0.91132E+01   464   0.319E+01 
DAV:   5    -0.148959680911E+03   -0.24416E+00   -0.24401E+00   520   0.485E+00    0.249E+01
DAV:   6    -0.136464408868E+03    0.12495E+02   -0.35783E+01   464   0.254E+01    0.132E+01
DAV:   7    -0.134951510973E+03    0.15129E+01   -0.52349E+00   496   0.932E+00    0.597E+00
DAV:   8    -0.134327001064E+03    0.62451E+00   -0.93051E-01   488   0.443E+00    0.211E+00
DAV:   9    -0.134152774745E+03    0.17423E+00   -0.28890E-01   488   0.222E+00    0.582E-01
DAV:  10    -0.134128714486E+03    0.24060E-01   -0.69669E-02   488   0.113E+00    0.411E-01
DAV:  11    -0.134118787829E+03    0.99267E-02   -0.11917E-02   472   0.569E-01    0.172E-01
DAV:  12    -0.134114660668E+03    0.41272E-02   -0.75286E-03   472   0.392E-01    0.140E-01
DAV:  13    -0.134117442520E+03   -0.27819E-02   -0.54064E-03   497   0.408E-01    0.101E-01
DAV:  14    -0.134125155193E+03   -0.77127E-02   -0.35956E-03   456   0.271E-01    0.872E-02
DAV:  15    -0.134129970512E+03   -0.48153E-02   -0.15550E-03   504   0.191E-01    0.442E-02
DAV:  16    -0.134133452020E+03   -0.34815E-02   -0.68463E-04   456   0.108E-01    0.494E-02
DAV:  17    -0.134135893009E+03   -0.24410E-02   -0.17408E-04   480   0.519E-02    0.356E-02
DAV:  18    -0.134138694504E+03   -0.28015E-02   -0.52407E-04   520   0.887E-02    0.170E-02
DAV:  19    -0.134139140751E+03   -0.44625E-03   -0.50236E-05   472   0.376E-02    0.123E-02
DAV:  20    -0.134139820369E+03   -0.67962E-03   -0.84989E-05   504   0.352E-02    0.118E-02
DAV:  21    -0.134140190020E+03   -0.36965E-03   -0.29730E-05   393   0.249E-02    0.598E-03
DAV:  22    -0.134140299417E+03   -0.10940E-03   -0.15525E-05   368   0.152E-02    0.335E-03
DAV:  23    -0.134140343848E+03   -0.44431E-04   -0.26887E-06   336   0.634E-03    0.217E-03
DAV:  24    -0.134140402062E+03   -0.58213E-04   -0.43278E-06   313   0.743E-03    0.167E-03
DAV:  25    -0.134140412427E+03   -0.10365E-04   -0.10920E-06   344   0.350E-03    0.105E-03
DAV:  26    -0.134140420155E+03   -0.77276E-05   -0.76858E-07   320   0.301E-03 
   1 F= -.13414042E+03 E0= -.13414599E+03  d E =0.167157E-01