./iterations/neb0_image02_iter15_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 0.404007666423E+03 0.40401E+03 -0.15920E+04 424 0.706E+02
DAV: 2 -0.129882455884E+02 -0.41700E+03 -0.39847E+03 594 0.166E+02
DAV: 3 -0.139435283328E+03 -0.12645E+03 -0.12572E+03 513 0.974E+01
DAV: 4 -0.148955833524E+03 -0.95206E+01 -0.94950E+01 464 0.326E+01
DAV: 5 -0.149231975169E+03 -0.27614E+00 -0.27601E+00 528 0.509E+00 0.248E+01
DAV: 6 -0.136782182263E+03 0.12450E+02 -0.37593E+01 457 0.259E+01 0.131E+01
DAV: 7 -0.135334829067E+03 0.14474E+01 -0.48592E+00 496 0.892E+00 0.602E+00
DAV: 8 -0.134707090268E+03 0.62774E+00 -0.91175E-01 488 0.438E+00 0.210E+00
DAV: 9 -0.134551280503E+03 0.15581E+00 -0.29685E-01 480 0.217E+00 0.596E-01
DAV: 10 -0.134532046103E+03 0.19234E-01 -0.49154E-02 472 0.950E-01 0.396E-01
DAV: 11 -0.134523554704E+03 0.84914E-02 -0.92272E-03 464 0.435E-01 0.175E-01
DAV: 12 -0.134519153215E+03 0.44015E-02 -0.77641E-03 464 0.302E-01 0.125E-01
DAV: 13 -0.134523049071E+03 -0.38959E-02 -0.36901E-03 465 0.262E-01 0.890E-02
DAV: 14 -0.134529605565E+03 -0.65565E-02 -0.23274E-03 456 0.192E-01 0.551E-02
DAV: 15 -0.134535392868E+03 -0.57873E-02 -0.14247E-03 528 0.146E-01 0.496E-02
DAV: 16 -0.134538773001E+03 -0.33801E-02 -0.34232E-04 456 0.738E-02 0.333E-02
DAV: 17 -0.134541592483E+03 -0.28195E-02 -0.45562E-04 528 0.709E-02 0.138E-02
DAV: 18 -0.134542748019E+03 -0.11555E-02 -0.82427E-05 464 0.329E-02 0.152E-02
DAV: 19 -0.134543541929E+03 -0.79391E-03 -0.45020E-05 440 0.211E-02 0.543E-03
DAV: 20 -0.134543905975E+03 -0.36405E-03 -0.42704E-05 448 0.219E-02 0.717E-03
DAV: 21 -0.134543976398E+03 -0.70424E-04 -0.62654E-06 352 0.132E-02 0.237E-03
DAV: 22 -0.134544034382E+03 -0.57983E-04 -0.97117E-06 336 0.109E-02 0.376E-03
DAV: 23 -0.134544040546E+03 -0.61639E-05 -0.11818E-06 360 0.598E-03
1 F= -.13454404E+03 E0= -.13454975E+03 d E =0.171236E-01