./iterations/neb0_image02_iter27_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144805313606E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224444567219E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362871877109E+03 -0.58732E+03 -0.58419E+03 345 0.114E+02
DAV: 4 -0.433469132439E+03 -0.70597E+02 -0.70360E+02 309 0.508E+01
DAV: 5 -0.435052951126E+03 -0.15838E+01 -0.15812E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389087006975E+03 0.45966E+02 -0.14804E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622089653E+03 0.34649E+01 -0.13516E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384142130276E+03 0.14800E+01 -0.20678E+00 327 0.383E+00 0.432E+00
DAV: 9 -0.383588913388E+03 0.55322E+00 -0.10771E+00 336 0.228E+00 0.117E+00
DAV: 10 -0.383520459141E+03 0.68454E-01 -0.13120E-01 327 0.104E+00 0.916E-01
DAV: 11 -0.383499076003E+03 0.21383E-01 -0.15788E-01 318 0.735E-01 0.828E-01
DAV: 12 -0.383478754844E+03 0.20321E-01 -0.26075E-02 318 0.426E-01 0.594E-01
DAV: 13 -0.383469181359E+03 0.95735E-02 -0.51762E-02 327 0.376E-01 0.652E-01
DAV: 14 -0.383456706741E+03 0.12475E-01 -0.29037E-02 309 0.461E-01 0.574E-01
DAV: 15 -0.383454955327E+03 0.17514E-02 -0.12221E-02 327 0.277E-01 0.234E-01
DAV: 16 -0.383458854216E+03 -0.38989E-02 -0.11296E-02 309 0.269E-01 0.319E-01
DAV: 17 -0.383463589695E+03 -0.47355E-02 -0.42200E-03 372 0.200E-01 0.190E-01
DAV: 18 -0.383472721971E+03 -0.91323E-02 -0.15023E-03 282 0.147E-01 0.136E-01
DAV: 19 -0.383485996828E+03 -0.13275E-01 -0.40595E-03 309 0.177E-01 0.751E-02
DAV: 20 -0.383491847467E+03 -0.58506E-02 -0.12369E-03 327 0.936E-02 0.604E-02
DAV: 21 -0.383494036248E+03 -0.21888E-02 -0.12210E-04 327 0.287E-02 0.547E-02
DAV: 22 -0.383499772092E+03 -0.57358E-02 -0.32761E-04 318 0.444E-02 0.222E-02
DAV: 23 -0.383505368735E+03 -0.55966E-02 -0.37688E-04 309 0.380E-02 0.320E-02
DAV: 24 -0.383506877955E+03 -0.15092E-02 -0.63265E-05 336 0.208E-02 0.212E-02
DAV: 25 -0.383508235098E+03 -0.13571E-02 -0.78112E-05 273 0.190E-02 0.111E-02
DAV: 26 -0.383508652829E+03 -0.41773E-03 -0.71679E-06 228 0.681E-03 0.787E-03
DAV: 27 -0.383509201031E+03 -0.54820E-03 -0.25382E-05 237 0.899E-03 0.572E-03
DAV: 28 -0.383509325907E+03 -0.12488E-03 -0.35478E-06 237 0.511E-03 0.400E-03
DAV: 29 -0.383509416328E+03 -0.90421E-04 -0.33299E-06 201 0.429E-03 0.400E-03
DAV: 30 -0.383509500400E+03 -0.84072E-04 -0.23052E-06 210 0.348E-03 0.238E-03
DAV: 31 -0.383509535417E+03 -0.35017E-04 -0.18237E-06 228 0.317E-03 0.116E-03
DAV: 32 -0.383509559916E+03 -0.24499E-04 -0.10049E-06 183 0.213E-03 0.871E-04
DAV: 33 -0.383509563921E+03 -0.40047E-05 -0.35000E-07 237 0.120E-03
1 F= -.38350956E+03 E0= -.38352610E+03 d E =0.496095E-01