./iterations/neb0_image04_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     0.403986135611E+03    0.40399E+03   -0.15914E+04   424   0.706E+02 
DAV:   2    -0.134136446223E+02   -0.41740E+03   -0.39845E+03   601   0.166E+02 
DAV:   3    -0.140566102045E+03   -0.12715E+03   -0.12650E+03   536   0.973E+01 
DAV:   4    -0.149001159369E+03   -0.84351E+01   -0.84177E+01   464   0.307E+01 
DAV:   5    -0.149229733606E+03   -0.22857E+00   -0.22846E+00   528   0.465E+00    0.248E+01
DAV:   6    -0.136833314086E+03    0.12396E+02   -0.37601E+01   443   0.256E+01    0.131E+01
DAV:   7    -0.135379458338E+03    0.14539E+01   -0.46965E+00   496   0.882E+00    0.601E+00
DAV:   8    -0.134748698410E+03    0.63076E+00   -0.92773E-01   488   0.436E+00    0.209E+00
DAV:   9    -0.134594127345E+03    0.15457E+00   -0.28832E-01   480   0.216E+00    0.597E-01
DAV:  10    -0.134574254736E+03    0.19873E-01   -0.49585E-02   472   0.937E-01    0.402E-01
DAV:  11    -0.134565166658E+03    0.90881E-02   -0.94597E-03   504   0.434E-01    0.172E-01
DAV:  12    -0.134559659733E+03    0.55069E-02   -0.82465E-03   480   0.319E-01    0.128E-01
DAV:  13    -0.134564402635E+03   -0.47429E-02   -0.64423E-03   465   0.332E-01    0.106E-01
DAV:  14    -0.134570129086E+03   -0.57265E-02   -0.20608E-03   472   0.195E-01    0.630E-02
DAV:  15    -0.134575329436E+03   -0.52004E-02   -0.19808E-03   496   0.168E-01    0.513E-02
DAV:  16    -0.134578164548E+03   -0.28351E-02   -0.35019E-04   496   0.791E-02    0.318E-02
DAV:  17    -0.134581986129E+03   -0.38216E-02   -0.52427E-04   456   0.736E-02    0.164E-02
DAV:  18    -0.134583412349E+03   -0.14262E-02   -0.12869E-04   504   0.398E-02    0.181E-02
DAV:  19    -0.134584083859E+03   -0.67151E-03   -0.78955E-05   520   0.372E-02    0.986E-03
DAV:  20    -0.134584469468E+03   -0.38561E-03   -0.27113E-05   448   0.220E-02    0.779E-03
DAV:  21    -0.134584720997E+03   -0.25153E-03   -0.16762E-05   361   0.138E-02    0.606E-03
DAV:  22    -0.134584788506E+03   -0.67509E-04   -0.75489E-06   336   0.114E-02    0.194E-03
DAV:  23    -0.134584839001E+03   -0.50495E-04   -0.68977E-06   328   0.950E-03    0.386E-03
DAV:  24    -0.134584855804E+03   -0.16803E-04   -0.16827E-06   336   0.489E-03    0.237E-03
DAV:  25    -0.134584863246E+03   -0.74427E-05   -0.31263E-06   336   0.647E-03 
   1 F= -.13458486E+03 E0= -.13459081E+03  d E =0.178280E-01