./iterations/neb0_image06_iter14_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 0.405247509866E+03 0.40525E+03 -0.15906E+04 424 0.706E+02
DAV: 2 -0.124537481472E+02 -0.41770E+03 -0.39871E+03 601 0.166E+02
DAV: 3 -0.140386697084E+03 -0.12793E+03 -0.12727E+03 536 0.975E+01
DAV: 4 -0.148985726710E+03 -0.85990E+01 -0.85796E+01 472 0.310E+01
DAV: 5 -0.149220184843E+03 -0.23446E+00 -0.23433E+00 528 0.471E+00 0.248E+01
DAV: 6 -0.136865944665E+03 0.12354E+02 -0.37048E+01 443 0.254E+01 0.131E+01
DAV: 7 -0.135400900810E+03 0.14650E+01 -0.47248E+00 496 0.887E+00 0.600E+00
DAV: 8 -0.134770672608E+03 0.63023E+00 -0.92400E-01 488 0.435E+00 0.207E+00
DAV: 9 -0.134612523411E+03 0.15815E+00 -0.27957E-01 480 0.211E+00 0.588E-01
DAV: 10 -0.134591928503E+03 0.20595E-01 -0.50055E-02 488 0.940E-01 0.400E-01
DAV: 11 -0.134582263706E+03 0.96648E-02 -0.98125E-03 480 0.461E-01 0.162E-01
DAV: 12 -0.134577502264E+03 0.47614E-02 -0.74032E-03 480 0.332E-01 0.130E-01
DAV: 13 -0.134582054590E+03 -0.45523E-02 -0.63016E-03 457 0.353E-01 0.107E-01
DAV: 14 -0.134588350843E+03 -0.62963E-02 -0.27301E-03 456 0.232E-01 0.572E-02
DAV: 15 -0.134592175883E+03 -0.38250E-02 -0.12902E-03 496 0.143E-01 0.527E-02
DAV: 16 -0.134596175333E+03 -0.39994E-02 -0.40737E-04 480 0.787E-02 0.249E-02
DAV: 17 -0.134599447327E+03 -0.32720E-02 -0.27482E-04 464 0.545E-02 0.149E-02
DAV: 18 -0.134601235345E+03 -0.17880E-02 -0.16044E-04 488 0.416E-02 0.123E-02
DAV: 19 -0.134602111757E+03 -0.87641E-03 -0.55446E-05 448 0.262E-02 0.608E-03
DAV: 20 -0.134602565999E+03 -0.45424E-03 -0.37065E-05 409 0.197E-02 0.561E-03
DAV: 21 -0.134602725693E+03 -0.15969E-03 -0.80013E-06 336 0.129E-02 0.426E-03
DAV: 22 -0.134602794175E+03 -0.68483E-04 -0.10621E-05 329 0.127E-02 0.418E-03
DAV: 23 -0.134602802364E+03 -0.81881E-05 -0.26794E-06 368 0.740E-03
1 F= -.13460280E+03 E0= -.13460906E+03 d E =0.187854E-01