./iterations/neb1_max2_image01_iter7_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     0.409616848204E+03    0.40962E+03   -0.15908E+04   424   0.706E+02 
DAV:   2    -0.102322994547E+02   -0.41985E+03   -0.40109E+03   601   0.166E+02 
DAV:   3    -0.140649297031E+03   -0.13042E+03   -0.12979E+03   544   0.983E+01 
DAV:   4    -0.148807755309E+03   -0.81585E+01   -0.81435E+01   464   0.305E+01 
DAV:   5    -0.149009533567E+03   -0.20178E+00   -0.20166E+00   528   0.453E+00    0.248E+01
DAV:   6    -0.136577662796E+03    0.12432E+02   -0.36372E+01   450   0.256E+01    0.132E+01
DAV:   7    -0.135062656746E+03    0.15150E+01   -0.48075E+00   496   0.905E+00    0.597E+00
DAV:   8    -0.134437475449E+03    0.62518E+00   -0.87889E-01   496   0.429E+00    0.212E+00
DAV:   9    -0.134263941551E+03    0.17353E+00   -0.27783E-01   480   0.214E+00    0.577E-01
DAV:  10    -0.134238972702E+03    0.24969E-01   -0.68699E-02   488   0.112E+00    0.403E-01
DAV:  11    -0.134229646603E+03    0.93261E-02   -0.12079E-02   464   0.561E-01    0.173E-01
DAV:  12    -0.134226280296E+03    0.33663E-02   -0.67928E-03   472   0.368E-01    0.138E-01
DAV:  13    -0.134229413891E+03   -0.31336E-02   -0.50382E-03   489   0.396E-01    0.978E-02
DAV:  14    -0.134236263631E+03   -0.68497E-02   -0.32130E-03   456   0.252E-01    0.835E-02
DAV:  15    -0.134241364527E+03   -0.51009E-02   -0.17045E-03   496   0.195E-01    0.449E-02
DAV:  16    -0.134245155215E+03   -0.37907E-02   -0.62942E-04   456   0.106E-01    0.476E-02
DAV:  17    -0.134247255970E+03   -0.21008E-02   -0.13147E-04   464   0.467E-02    0.348E-02
DAV:  18    -0.134249893109E+03   -0.26371E-02   -0.51291E-04   520   0.927E-02    0.203E-02
DAV:  19    -0.134250597550E+03   -0.70444E-03   -0.84284E-05   472   0.499E-02    0.116E-02
DAV:  20    -0.134251114630E+03   -0.51708E-03   -0.72174E-05   480   0.314E-02    0.121E-02
DAV:  21    -0.134251550419E+03   -0.43579E-03   -0.34140E-05   425   0.249E-02    0.706E-03
DAV:  22    -0.134251712513E+03   -0.16209E-03   -0.14478E-05   336   0.156E-02    0.370E-03
DAV:  23    -0.134251774722E+03   -0.62209E-04   -0.62647E-06   336   0.890E-03    0.319E-03
DAV:  24    -0.134251822273E+03   -0.47551E-04   -0.39724E-06   313   0.812E-03    0.199E-03
DAV:  25    -0.134251830632E+03   -0.83588E-05   -0.18263E-06   344   0.532E-03 
   1 F= -.13425183E+03 E0= -.13425775E+03  d E =0.177446E-01