iterations/neb0_image03_iter66_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 0.144855844793E+04 0.14486E+04 -0.44198E+04 330 0.697E+02
DAV: 2 0.224300565742E+03 -0.12243E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362604650512E+03 -0.58691E+03 -0.58350E+03 345 0.114E+02
DAV: 4 -0.433409247279E+03 -0.70805E+02 -0.70571E+02 309 0.509E+01
DAV: 5 -0.435007667398E+03 -0.15984E+01 -0.15958E+01 327 0.785E+00 0.426E+01
DAV: 6 -0.389034739362E+03 0.45973E+02 -0.14836E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385553888676E+03 0.34809E+01 -0.13265E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384073937434E+03 0.14800E+01 -0.21030E+00 336 0.384E+00 0.427E+00
DAV: 9 -0.383499997728E+03 0.57394E+00 -0.67774E-01 336 0.208E+00 0.985E-01
DAV: 10 -0.383445508761E+03 0.54489E-01 -0.97982E-02 336 0.895E-01 0.746E-01
DAV: 11 -0.383425082275E+03 0.20426E-01 -0.78421E-02 318 0.424E-01 0.753E-01
DAV: 12 -0.383405753421E+03 0.19329E-01 -0.15107E-01 336 0.422E-01 0.566E-01
DAV: 13 -0.383390721278E+03 0.15032E-01 -0.51028E-02 318 0.412E-01 0.409E-01
DAV: 14 -0.383388675402E+03 0.20459E-02 -0.95767E-03 354 0.358E-01 0.282E-01
DAV: 15 -0.383391585791E+03 -0.29104E-02 -0.97744E-03 309 0.293E-01 0.194E-01
DAV: 16 -0.383402417088E+03 -0.10831E-01 -0.56231E-03 300 0.224E-01 0.118E-01
DAV: 17 -0.383413028444E+03 -0.10611E-01 -0.27001E-03 318 0.164E-01 0.578E-02
DAV: 18 -0.383422103589E+03 -0.90751E-02 -0.11954E-03 309 0.986E-02 0.549E-02
DAV: 19 -0.383429863685E+03 -0.77601E-02 -0.44625E-04 327 0.532E-02 0.294E-02
DAV: 20 -0.383438254522E+03 -0.83908E-02 -0.62880E-04 291 0.490E-02 0.247E-02
DAV: 21 -0.383439324665E+03 -0.10701E-02 -0.41121E-05 291 0.187E-02 0.186E-02
DAV: 22 -0.383441606811E+03 -0.22821E-02 -0.14784E-04 309 0.286E-02 0.116E-02
DAV: 23 -0.383442591723E+03 -0.98491E-03 -0.27214E-05 264 0.133E-02 0.114E-02
DAV: 24 -0.383443389269E+03 -0.79755E-03 -0.44873E-05 282 0.150E-02 0.394E-03
DAV: 25 -0.383443725484E+03 -0.33622E-03 -0.87252E-06 228 0.741E-03 0.252E-03
DAV: 26 -0.383443910820E+03 -0.18534E-03 -0.63616E-06 219 0.488E-03 0.228E-03
DAV: 27 -0.383444009554E+03 -0.98735E-04 -0.30413E-06 210 0.378E-03 0.123E-03
DAV: 28 -0.383444078905E+03 -0.69351E-04 -0.27201E-06 210 0.346E-03 0.133E-03
DAV: 29 -0.383444102140E+03 -0.23235E-04 -0.12126E-06 228 0.207E-03 0.108E-03
DAV: 30 -0.383444117049E+03 -0.14909E-04 -0.10624E-06 210 0.279E-03 0.787E-04
DAV: 31 -0.383444122031E+03 -0.49820E-05 -0.40258E-07 228 0.142E-03
1 F= -.38344412E+03 E0= -.38345662E+03 d E =0.374847E-01