iterations/neb0_image02_iter22_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161790118795E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296789688027E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357989833187E+03 -0.65478E+03 -0.65107E+03 364 0.123E+02
DAV: 4 -0.433483567613E+03 -0.75494E+02 -0.75180E+02 316 0.520E+01
DAV: 5 -0.435196096496E+03 -0.17125E+01 -0.17098E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389128573626E+03 0.46068E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607896055E+03 0.35207E+01 -0.12413E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384153912675E+03 0.14540E+01 -0.22514E+00 332 0.378E+00 0.427E+00
DAV: 9 -0.383588345534E+03 0.56557E+00 -0.64907E-01 324 0.194E+00 0.104E+00
DAV: 10 -0.383534137727E+03 0.54208E-01 -0.19382E-01 340 0.965E-01 0.908E-01
DAV: 11 -0.383517615051E+03 0.16523E-01 -0.18234E-01 324 0.490E-01 0.674E-01
DAV: 12 -0.383496739893E+03 0.20875E-01 -0.20341E-02 332 0.384E-01 0.376E-01
DAV: 13 -0.383485953632E+03 0.10786E-01 -0.50137E-02 308 0.439E-01 0.439E-01
DAV: 14 -0.383485543031E+03 0.41060E-03 -0.23369E-02 316 0.244E-01 0.257E-01
DAV: 15 -0.383490263708E+03 -0.47207E-02 -0.71201E-03 300 0.245E-01 0.224E-01
DAV: 16 -0.383498543803E+03 -0.82801E-02 -0.35767E-03 324 0.191E-01 0.157E-01
DAV: 17 -0.383511916666E+03 -0.13373E-01 -0.47399E-03 276 0.170E-01 0.181E-01
DAV: 18 -0.383521387714E+03 -0.94710E-02 -0.30470E-03 316 0.138E-01 0.519E-02
DAV: 19 -0.383529767356E+03 -0.83796E-02 -0.90762E-04 324 0.705E-02 0.558E-02
DAV: 20 -0.383535551429E+03 -0.57841E-02 -0.30958E-04 308 0.406E-02 0.289E-02
DAV: 21 -0.383539827449E+03 -0.42760E-02 -0.19351E-04 316 0.273E-02 0.185E-02
DAV: 22 -0.383543175250E+03 -0.33478E-02 -0.18461E-04 300 0.262E-02 0.154E-02
DAV: 23 -0.383544712894E+03 -0.15376E-02 -0.87124E-05 308 0.181E-02 0.912E-03
DAV: 24 -0.383545396233E+03 -0.68334E-03 -0.31910E-05 276 0.116E-02 0.421E-03
DAV: 25 -0.383545643923E+03 -0.24769E-03 -0.66470E-06 236 0.616E-03 0.401E-03
DAV: 26 -0.383545807984E+03 -0.16406E-03 -0.81709E-06 212 0.630E-03 0.366E-03
DAV: 27 -0.383545870604E+03 -0.62621E-04 -0.25561E-06 228 0.381E-03 0.162E-03
DAV: 28 -0.383545909379E+03 -0.38775E-04 -0.19666E-06 196 0.357E-03 0.108E-03
DAV: 29 -0.383545940689E+03 -0.31310E-04 -0.13971E-06 220 0.261E-03 0.698E-04
DAV: 30 -0.383545951020E+03 -0.10331E-04 -0.57399E-07 228 0.148E-03 0.707E-04
DAV: 31 -0.383545957896E+03 -0.68766E-05 -0.30865E-07 220 0.123E-03
1 F= -.38354596E+03 E0= -.38355930E+03 d E =0.400168E-01