iterations/neb0_image03_iter18_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 0.144890212363E+04 0.14489E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224783052028E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362449112769E+03 -0.58723E+03 -0.58355E+03 345 0.114E+02
DAV: 4 -0.433392278632E+03 -0.70943E+02 -0.70710E+02 309 0.508E+01
DAV: 5 -0.434983518255E+03 -0.15912E+01 -0.15885E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389052206584E+03 0.45931E+02 -0.14795E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385604330970E+03 0.34479E+01 -0.13738E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384135378379E+03 0.14690E+01 -0.21589E+00 336 0.386E+00 0.434E+00
DAV: 9 -0.383594861160E+03 0.54052E+00 -0.16860E+00 336 0.244E+00 0.136E+00
DAV: 10 -0.383522426147E+03 0.72435E-01 -0.25076E-01 336 0.114E+00 0.102E+00
DAV: 11 -0.383503567021E+03 0.18859E-01 -0.29159E-01 345 0.651E-01 0.985E-01
DAV: 12 -0.383481702807E+03 0.21864E-01 -0.26761E-01 327 0.730E-01 0.947E-01
DAV: 13 -0.383460808534E+03 0.20894E-01 -0.15138E-01 354 0.554E-01 0.629E-01
DAV: 14 -0.383450327609E+03 0.10481E-01 -0.28169E-02 309 0.372E-01 0.356E-01
DAV: 15 -0.383447424702E+03 0.29029E-02 -0.17691E-02 327 0.416E-01 0.225E-01
DAV: 16 -0.383451646825E+03 -0.42221E-02 -0.58322E-03 318 0.237E-01 0.197E-01
DAV: 17 -0.383459285380E+03 -0.76386E-02 -0.30837E-03 300 0.163E-01 0.132E-01
DAV: 18 -0.383468781555E+03 -0.94962E-02 -0.21065E-03 309 0.132E-01 0.724E-02
DAV: 19 -0.383480624843E+03 -0.11843E-01 -0.17609E-03 309 0.140E-01 0.504E-02
DAV: 20 -0.383487172883E+03 -0.65480E-02 -0.99420E-04 327 0.865E-02 0.621E-02
DAV: 21 -0.383490816076E+03 -0.36432E-02 -0.17729E-04 309 0.359E-02 0.492E-02
DAV: 22 -0.383496515671E+03 -0.56996E-02 -0.57038E-04 300 0.568E-02 0.308E-02
DAV: 23 -0.383497306593E+03 -0.79092E-03 -0.52436E-05 327 0.211E-02 0.275E-02
DAV: 24 -0.383498102698E+03 -0.79611E-03 -0.58203E-05 291 0.217E-02 0.120E-02
DAV: 25 -0.383499503693E+03 -0.14010E-02 -0.55913E-05 273 0.150E-02 0.763E-03
DAV: 26 -0.383500125915E+03 -0.62222E-03 -0.21967E-05 264 0.832E-03 0.516E-03
DAV: 27 -0.383500451062E+03 -0.32515E-03 -0.10047E-05 210 0.628E-03 0.405E-03
DAV: 28 -0.383500692568E+03 -0.24151E-03 -0.12368E-05 237 0.682E-03 0.499E-03
DAV: 29 -0.383500726308E+03 -0.33740E-04 -0.18880E-06 237 0.380E-03 0.377E-03
DAV: 30 -0.383500769635E+03 -0.43327E-04 -0.21230E-06 201 0.406E-03 0.135E-03
DAV: 31 -0.383500794369E+03 -0.24734E-04 -0.12018E-06 228 0.282E-03 0.194E-03
DAV: 32 -0.383500802894E+03 -0.85245E-05 -0.40860E-07 228 0.148E-03
1 F= -.38350080E+03 E0= -.38351394E+03 d E =0.393996E-01