./iterations/neb1_max2_image01_iter51_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     0.419935229337E+03    0.41994E+03   -0.15910E+04   432   0.706E+02 
DAV:   2    -0.654075576776E+01   -0.42648E+03   -0.40619E+03   616   0.164E+02 
DAV:   3    -0.139704970399E+03   -0.13316E+03   -0.13236E+03   552   0.994E+01 
DAV:   4    -0.148672622115E+03   -0.89677E+01   -0.89423E+01   464   0.313E+01 
DAV:   5    -0.148918781240E+03   -0.24616E+00   -0.24607E+00   536   0.469E+00    0.258E+01
DAV:   6    -0.135817716613E+03    0.13101E+02   -0.37227E+01   443   0.259E+01    0.138E+01
DAV:   7    -0.134171558588E+03    0.16462E+01   -0.50885E+00   496   0.910E+00    0.606E+00
DAV:   8    -0.133545475582E+03    0.62608E+00   -0.92013E-01   480   0.437E+00    0.226E+00
DAV:   9    -0.133368730504E+03    0.17675E+00   -0.33832E-01   480   0.231E+00    0.603E-01
DAV:  10    -0.133348745693E+03    0.19985E-01   -0.46231E-02   504   0.944E-01    0.410E-01
DAV:  11    -0.133334108604E+03    0.14637E-01   -0.15110E-02   480   0.570E-01    0.175E-01
DAV:  12    -0.133332254112E+03    0.18545E-02   -0.40674E-03   456   0.308E-01    0.151E-01
DAV:  13    -0.133336173634E+03   -0.39195E-02   -0.51581E-03   425   0.367E-01    0.922E-02
DAV:  14    -0.133341203626E+03   -0.50300E-02   -0.18438E-03   472   0.188E-01    0.728E-02
DAV:  15    -0.133346923395E+03   -0.57198E-02   -0.15756E-03   464   0.164E-01    0.411E-02
DAV:  16    -0.133350330025E+03   -0.34066E-02   -0.26616E-04   496   0.751E-02    0.266E-02
DAV:  17    -0.133354548620E+03   -0.42186E-02   -0.46814E-04   456   0.727E-02    0.169E-02
DAV:  18    -0.133356444191E+03   -0.18956E-02   -0.14529E-04   464   0.401E-02    0.103E-02
DAV:  19    -0.133357553593E+03   -0.11094E-02   -0.14422E-04   496   0.414E-02    0.121E-02
DAV:  20    -0.133357835449E+03   -0.28186E-03   -0.17828E-05   368   0.215E-02    0.587E-03
DAV:  21    -0.133358006642E+03   -0.17119E-03   -0.41404E-05   464   0.260E-02    0.851E-03
DAV:  22    -0.133358025319E+03   -0.18677E-04   -0.47464E-06   360   0.132E-02    0.442E-03
DAV:  23    -0.133358062664E+03   -0.37345E-04   -0.77218E-06   320   0.112E-02    0.149E-03
DAV:  24    -0.133358074448E+03   -0.11783E-04   -0.12404E-06   336   0.463E-03    0.103E-03
DAV:  25    -0.133358082486E+03   -0.80382E-05   -0.51351E-07   320   0.268E-03 
   1 F= -.13335808E+03 E0= -.13336231E+03  d E =0.126920E-01