iterations/neb0_image02_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 0.144814156594E+04 0.14481E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224486597483E+03 -0.12237E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362856923876E+03 -0.58734E+03 -0.58420E+03 345 0.114E+02
DAV: 4 -0.433469310583E+03 -0.70612E+02 -0.70375E+02 309 0.508E+01
DAV: 5 -0.435053109132E+03 -0.15838E+01 -0.15812E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389089331239E+03 0.45964E+02 -0.14803E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385620395226E+03 0.34689E+01 -0.13508E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384142063567E+03 0.14783E+01 -0.20791E+00 327 0.383E+00 0.431E+00
DAV: 9 -0.383603241786E+03 0.53882E+00 -0.16506E+00 345 0.242E+00 0.139E+00
DAV: 10 -0.383542176952E+03 0.61065E-01 -0.40769E-01 318 0.116E+00 0.102E+00
DAV: 11 -0.383508002154E+03 0.34175E-01 -0.15442E-01 336 0.645E-01 0.891E-01
DAV: 12 -0.383490828116E+03 0.17174E-01 -0.21446E-01 336 0.718E-01 0.889E-01
DAV: 13 -0.383475705858E+03 0.15122E-01 -0.17252E-01 354 0.540E-01 0.722E-01
DAV: 14 -0.383461673510E+03 0.14032E-01 -0.67996E-02 345 0.387E-01 0.424E-01
DAV: 15 -0.383459259197E+03 0.24143E-02 -0.15245E-02 318 0.407E-01 0.376E-01
DAV: 16 -0.383462271506E+03 -0.30123E-02 -0.17864E-02 336 0.257E-01 0.232E-01
DAV: 17 -0.383469358524E+03 -0.70870E-02 -0.25492E-03 282 0.152E-01 0.155E-01
DAV: 18 -0.383480430940E+03 -0.11072E-01 -0.29627E-03 309 0.159E-01 0.829E-02
DAV: 19 -0.383492197410E+03 -0.11766E-01 -0.18090E-03 309 0.140E-01 0.603E-02
DAV: 20 -0.383498410927E+03 -0.62135E-02 -0.73604E-04 327 0.769E-02 0.595E-02
DAV: 21 -0.383501526396E+03 -0.31155E-02 -0.13267E-04 327 0.291E-02 0.568E-02
DAV: 22 -0.383507388117E+03 -0.58617E-02 -0.42657E-04 291 0.410E-02 0.215E-02
DAV: 23 -0.383509354019E+03 -0.19659E-02 -0.10912E-04 336 0.226E-02 0.213E-02
DAV: 24 -0.383510288359E+03 -0.93434E-03 -0.44147E-05 318 0.181E-02 0.153E-02
DAV: 25 -0.383510945117E+03 -0.65676E-03 -0.14897E-05 219 0.943E-03 0.848E-03
DAV: 26 -0.383511644044E+03 -0.69893E-03 -0.38020E-05 273 0.101E-02 0.583E-03
DAV: 27 -0.383511833436E+03 -0.18939E-03 -0.50034E-06 237 0.656E-03 0.293E-03
DAV: 28 -0.383511977860E+03 -0.14442E-03 -0.53035E-06 210 0.448E-03 0.191E-03
DAV: 29 -0.383512028487E+03 -0.50627E-04 -0.13992E-06 228 0.292E-03 0.139E-03
DAV: 30 -0.383512092026E+03 -0.63539E-04 -0.30484E-06 192 0.353E-03 0.187E-03
DAV: 31 -0.383512097908E+03 -0.58816E-05 -0.72665E-07 237 0.240E-03
1 F= -.38351210E+03 E0= -.38352565E+03 d E =0.406579E-01