./iterations/neb0_image02_iter18_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 0.403966539736E+03 0.40397E+03 -0.15920E+04 424 0.706E+02
DAV: 2 -0.129915555893E+02 -0.41696E+03 -0.39842E+03 594 0.166E+02
DAV: 3 -0.139435799349E+03 -0.12644E+03 -0.12572E+03 513 0.973E+01
DAV: 4 -0.148959208028E+03 -0.95234E+01 -0.94978E+01 464 0.326E+01
DAV: 5 -0.149235389442E+03 -0.27618E+00 -0.27605E+00 528 0.508E+00 0.248E+01
DAV: 6 -0.136783731821E+03 0.12452E+02 -0.37628E+01 457 0.258E+01 0.131E+01
DAV: 7 -0.135334778994E+03 0.14490E+01 -0.48250E+00 496 0.890E+00 0.602E+00
DAV: 8 -0.134706308965E+03 0.62847E+00 -0.91108E-01 488 0.437E+00 0.210E+00
DAV: 9 -0.134550919215E+03 0.15539E+00 -0.29660E-01 480 0.217E+00 0.597E-01
DAV: 10 -0.134531607498E+03 0.19312E-01 -0.49290E-02 472 0.951E-01 0.396E-01
DAV: 11 -0.134523157706E+03 0.84498E-02 -0.92408E-03 464 0.437E-01 0.175E-01
DAV: 12 -0.134518688346E+03 0.44694E-02 -0.78257E-03 464 0.304E-01 0.125E-01
DAV: 13 -0.134522602689E+03 -0.39143E-02 -0.38470E-03 465 0.266E-01 0.899E-02
DAV: 14 -0.134529035480E+03 -0.64328E-02 -0.22444E-03 456 0.189E-01 0.556E-02
DAV: 15 -0.134534794243E+03 -0.57588E-02 -0.14771E-03 528 0.146E-01 0.498E-02
DAV: 16 -0.134538113651E+03 -0.33194E-02 -0.33520E-04 456 0.734E-02 0.329E-02
DAV: 17 -0.134541109306E+03 -0.29957E-02 -0.48761E-04 528 0.718E-02 0.142E-02
DAV: 18 -0.134542249920E+03 -0.11406E-02 -0.76617E-05 464 0.317E-02 0.150E-02
DAV: 19 -0.134543065339E+03 -0.81542E-03 -0.51942E-05 464 0.226E-02 0.482E-03
DAV: 20 -0.134543424471E+03 -0.35913E-03 -0.36466E-05 432 0.201E-02 0.736E-03
DAV: 21 -0.134543498792E+03 -0.74322E-04 -0.59600E-06 344 0.125E-02 0.233E-03
DAV: 22 -0.134543550280E+03 -0.51488E-04 -0.90102E-06 336 0.102E-02 0.364E-03
DAV: 23 -0.134543558996E+03 -0.87165E-05 -0.13453E-06 360 0.646E-03
1 F= -.13454356E+03 E0= -.13454927E+03 d E =0.171309E-01