iterations/neb0_image01_iter43_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144723192449E+04 0.14472E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.227836132221E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362852546773E+03 -0.59069E+03 -0.58729E+03 345 0.114E+02
DAV: 4 -0.433510085682E+03 -0.70658E+02 -0.70387E+02 318 0.512E+01
DAV: 5 -0.435095900989E+03 -0.15858E+01 -0.15835E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389093758015E+03 0.46002E+02 -0.14819E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385609434140E+03 0.34843E+01 -0.13124E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384144064544E+03 0.14654E+01 -0.21631E+00 336 0.380E+00 0.426E+00
DAV: 9 -0.383559301630E+03 0.58476E+00 -0.64407E-01 336 0.206E+00 0.989E-01
DAV: 10 -0.383511383557E+03 0.47918E-01 -0.15082E-01 318 0.877E-01 0.823E-01
DAV: 11 -0.383487237432E+03 0.24146E-01 -0.32795E-02 354 0.573E-01 0.807E-01
DAV: 12 -0.383465749231E+03 0.21488E-01 -0.85204E-02 354 0.476E-01 0.703E-01
DAV: 13 -0.383454788647E+03 0.10961E-01 -0.10153E-01 318 0.435E-01 0.686E-01
DAV: 14 -0.383448113945E+03 0.66747E-02 -0.10845E-02 345 0.376E-01 0.333E-01
DAV: 15 -0.383450460918E+03 -0.23470E-02 -0.11183E-02 309 0.201E-01 0.245E-01
DAV: 16 -0.383456668405E+03 -0.62075E-02 -0.72403E-03 282 0.230E-01 0.148E-01
DAV: 17 -0.383465313319E+03 -0.86449E-02 -0.25318E-03 336 0.146E-01 0.944E-02
DAV: 18 -0.383479114032E+03 -0.13801E-01 -0.24432E-03 291 0.164E-01 0.680E-02
DAV: 19 -0.383487422411E+03 -0.83084E-02 -0.13489E-03 327 0.104E-01 0.660E-02
DAV: 20 -0.383491418722E+03 -0.39963E-02 -0.32993E-04 336 0.528E-02 0.409E-02
DAV: 21 -0.383497972673E+03 -0.65540E-02 -0.38692E-04 300 0.406E-02 0.225E-02
DAV: 22 -0.383501280491E+03 -0.33078E-02 -0.13760E-04 327 0.236E-02 0.204E-02
DAV: 23 -0.383504383992E+03 -0.31035E-02 -0.18574E-04 300 0.252E-02 0.881E-03
DAV: 24 -0.383505254325E+03 -0.87033E-03 -0.26925E-05 264 0.106E-02 0.636E-03
DAV: 25 -0.383505889797E+03 -0.63547E-03 -0.24121E-05 273 0.971E-03 0.359E-03
DAV: 26 -0.383506261068E+03 -0.37127E-03 -0.98671E-06 228 0.639E-03 0.314E-03
DAV: 27 -0.383506430172E+03 -0.16910E-03 -0.65987E-06 228 0.445E-03 0.195E-03
DAV: 28 -0.383506519883E+03 -0.89711E-04 -0.28904E-06 201 0.317E-03 0.954E-04
DAV: 29 -0.383506573770E+03 -0.53888E-04 -0.22817E-06 210 0.262E-03 0.714E-04
DAV: 30 -0.383506590985E+03 -0.17215E-04 -0.95862E-07 219 0.176E-03 0.784E-04
DAV: 31 -0.383506600680E+03 -0.96952E-05 -0.52638E-07 210 0.130E-03
1 F= -.38350660E+03 E0= -.38352324E+03 d E =0.499106E-01