iterations/neb0_image03_iter20_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 0.144884101804E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224765726114E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362434629747E+03 -0.58720E+03 -0.58351E+03 345 0.114E+02
DAV: 4 -0.433383114540E+03 -0.70948E+02 -0.70714E+02 309 0.508E+01
DAV: 5 -0.434974255528E+03 -0.15911E+01 -0.15884E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389051277676E+03 0.45923E+02 -0.14793E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385605989972E+03 0.34453E+01 -0.13815E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384138747037E+03 0.14672E+01 -0.22316E+00 336 0.388E+00 0.435E+00
DAV: 9 -0.383596211136E+03 0.54254E+00 -0.16901E+00 336 0.244E+00 0.133E+00
DAV: 10 -0.383517347104E+03 0.78864E-01 -0.17574E-01 336 0.112E+00 0.910E-01
DAV: 11 -0.383483653877E+03 0.33693E-01 -0.94470E-02 345 0.703E-01 0.636E-01
DAV: 12 -0.383469555093E+03 0.14099E-01 -0.66136E-02 354 0.563E-01 0.614E-01
DAV: 13 -0.383456142182E+03 0.13413E-01 -0.33005E-02 336 0.398E-01 0.522E-01
DAV: 14 -0.383454023985E+03 0.21182E-02 -0.99133E-02 345 0.454E-01 0.529E-01
DAV: 15 -0.383449552829E+03 0.44712E-02 -0.15299E-02 318 0.350E-01 0.389E-01
DAV: 16 -0.383451907902E+03 -0.23551E-02 -0.16795E-02 318 0.277E-01 0.240E-01
DAV: 17 -0.383458237345E+03 -0.63294E-02 -0.74529E-03 318 0.177E-01 0.263E-01
DAV: 18 -0.383470389648E+03 -0.12152E-01 -0.11391E-02 318 0.189E-01 0.270E-01
DAV: 19 -0.383476992585E+03 -0.66029E-02 -0.33691E-03 327 0.142E-01 0.110E-01
DAV: 20 -0.383482588275E+03 -0.55957E-02 -0.11200E-03 327 0.967E-02 0.751E-02
DAV: 21 -0.383487933281E+03 -0.53450E-02 -0.34408E-04 309 0.523E-02 0.462E-02
DAV: 22 -0.383491518254E+03 -0.35850E-02 -0.16881E-04 327 0.314E-02 0.232E-02
DAV: 23 -0.383496511780E+03 -0.49935E-02 -0.34360E-04 300 0.380E-02 0.319E-02
DAV: 24 -0.383497838420E+03 -0.13266E-02 -0.41746E-05 309 0.168E-02 0.179E-02
DAV: 25 -0.383499303263E+03 -0.14648E-02 -0.81212E-05 282 0.182E-02 0.113E-02
DAV: 26 -0.383499941017E+03 -0.63775E-03 -0.25230E-05 264 0.936E-03 0.670E-03
DAV: 27 -0.383500183083E+03 -0.24207E-03 -0.85576E-06 237 0.811E-03 0.476E-03
DAV: 28 -0.383500285353E+03 -0.10227E-03 -0.38556E-06 219 0.455E-03 0.321E-03
DAV: 29 -0.383500392130E+03 -0.10678E-03 -0.26937E-06 219 0.418E-03 0.179E-03
DAV: 30 -0.383500488714E+03 -0.96584E-04 -0.42116E-06 210 0.410E-03 0.213E-03
DAV: 31 -0.383500505246E+03 -0.16532E-04 -0.11059E-06 228 0.318E-03 0.117E-03
DAV: 32 -0.383500526677E+03 -0.21431E-04 -0.21421E-06 201 0.377E-03 0.275E-03
DAV: 33 -0.383500534747E+03 -0.80700E-05 -0.57497E-07 228 0.304E-03
1 F= -.38350053E+03 E0= -.38351359E+03 d E =0.391641E-01