./iterations/neb1_max1_image01_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     0.412915048770E+03    0.41292E+03   -0.15818E+04   424   0.706E+02 
DAV:   2    -0.100592154885E+02   -0.42297E+03   -0.40559E+03   595   0.165E+02 
DAV:   3    -0.140027737448E+03   -0.12997E+03   -0.12925E+03   528   0.982E+01 
DAV:   4    -0.148933419941E+03   -0.89057E+01   -0.88843E+01   464   0.317E+01 
DAV:   5    -0.149177046046E+03   -0.24363E+00   -0.24350E+00   528   0.483E+00    0.248E+01
DAV:   6    -0.136723290100E+03    0.12454E+02   -0.37508E+01   457   0.261E+01    0.131E+01
DAV:   7    -0.135295651233E+03    0.14276E+01   -0.49972E+00   496   0.904E+00    0.603E+00
DAV:   8    -0.134666119847E+03    0.62953E+00   -0.91674E-01   472   0.442E+00    0.211E+00
DAV:   9    -0.134507604706E+03    0.15852E+00   -0.30026E-01   472   0.219E+00    0.595E-01
DAV:  10    -0.134488060362E+03    0.19544E-01   -0.53919E-02   465   0.997E-01    0.395E-01
DAV:  11    -0.134480191524E+03    0.78688E-02   -0.96317E-03   464   0.451E-01    0.182E-01
DAV:  12    -0.134476354822E+03    0.38367E-02   -0.71008E-03   464   0.298E-01    0.121E-01
DAV:  13    -0.134479342887E+03   -0.29881E-02   -0.30148E-03   465   0.241E-01    0.865E-02
DAV:  14    -0.134487293109E+03   -0.79502E-02   -0.28212E-03   456   0.212E-01    0.510E-02
DAV:  15    -0.134492768811E+03   -0.54757E-02   -0.82993E-04   504   0.116E-01    0.424E-02
DAV:  16    -0.134496830723E+03   -0.40619E-02   -0.51928E-04   504   0.872E-02    0.323E-02
DAV:  17    -0.134498341680E+03   -0.15110E-02   -0.23381E-04   528   0.666E-02    0.118E-02
DAV:  18    -0.134499919244E+03   -0.15776E-02   -0.18748E-04   464   0.469E-02    0.181E-02
DAV:  19    -0.134500282534E+03   -0.36329E-03   -0.14565E-05   376   0.158E-02    0.126E-02
DAV:  20    -0.134500873644E+03   -0.59111E-03   -0.11539E-04   457   0.400E-02    0.112E-02
DAV:  21    -0.134500912702E+03   -0.39058E-04   -0.13884E-05   416   0.183E-02    0.835E-03
DAV:  22    -0.134500974608E+03   -0.61907E-04   -0.19221E-05   417   0.169E-02    0.281E-03
DAV:  23    -0.134501026616E+03   -0.52008E-04   -0.41609E-06   336   0.944E-03    0.146E-03
DAV:  24    -0.134501041813E+03   -0.15197E-04   -0.13603E-06   336   0.414E-03    0.126E-03
DAV:  25    -0.134501048580E+03   -0.67669E-05   -0.63366E-07   328   0.297E-03 
   1 F= -.13450105E+03 E0= -.13450604E+03  d E =0.149621E-01