iterations/neb0_image03_iter12_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 0.161855338456E+04 0.16186E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297621744919E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357369635510E+03 -0.65499E+03 -0.65139E+03 364 0.123E+02
DAV: 4 -0.433428217310E+03 -0.76059E+02 -0.75740E+02 316 0.521E+01
DAV: 5 -0.435167133784E+03 -0.17389E+01 -0.17367E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389095945790E+03 0.46071E+02 -0.15144E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385600005531E+03 0.34959E+01 -0.12402E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384161944042E+03 0.14381E+01 -0.27707E+00 332 0.389E+00 0.432E+00
DAV: 9 -0.383584952433E+03 0.57699E+00 -0.66758E-01 324 0.199E+00 0.109E+00
DAV: 10 -0.383536091449E+03 0.48861E-01 -0.36647E-01 340 0.101E+00 0.789E-01
DAV: 11 -0.383510802991E+03 0.25288E-01 -0.31230E-02 316 0.471E-01 0.631E-01
DAV: 12 -0.383496292988E+03 0.14510E-01 -0.14514E-01 364 0.648E-01 0.947E-01
DAV: 13 -0.383479959225E+03 0.16334E-01 -0.18825E-01 316 0.444E-01 0.399E-01
DAV: 14 -0.383480810089E+03 -0.85086E-03 -0.24049E-02 340 0.251E-01 0.258E-01
DAV: 15 -0.383484934917E+03 -0.41248E-02 -0.45051E-02 356 0.289E-01 0.444E-01
DAV: 16 -0.383489243725E+03 -0.43088E-02 -0.21395E-02 300 0.230E-01 0.127E-01
DAV: 17 -0.383502304857E+03 -0.13061E-01 -0.76105E-03 292 0.181E-01 0.165E-01
DAV: 18 -0.383510617573E+03 -0.83127E-02 -0.14405E-03 324 0.992E-02 0.115E-01
DAV: 19 -0.383519698657E+03 -0.90811E-02 -0.10487E-03 292 0.712E-02 0.753E-02
DAV: 20 -0.383527024280E+03 -0.73256E-02 -0.79934E-04 356 0.601E-02 0.307E-02
DAV: 21 -0.383531887776E+03 -0.48635E-02 -0.26615E-04 324 0.393E-02 0.265E-02
DAV: 22 -0.383534745169E+03 -0.28574E-02 -0.96405E-05 308 0.211E-02 0.312E-02
DAV: 23 -0.383537694191E+03 -0.29490E-02 -0.17695E-04 300 0.266E-02 0.966E-03
DAV: 24 -0.383538767348E+03 -0.10732E-02 -0.52039E-05 284 0.147E-02 0.776E-03
DAV: 25 -0.383539153912E+03 -0.38656E-03 -0.13758E-05 228 0.802E-03 0.515E-03
DAV: 26 -0.383539536527E+03 -0.38262E-03 -0.15363E-05 228 0.723E-03 0.357E-03
DAV: 27 -0.383539671052E+03 -0.13453E-03 -0.61900E-06 228 0.488E-03 0.209E-03
DAV: 28 -0.383539728819E+03 -0.57767E-04 -0.20074E-06 228 0.337E-03 0.228E-03
DAV: 29 -0.383539798539E+03 -0.69720E-04 -0.26445E-06 188 0.325E-03 0.160E-03
DAV: 30 -0.383539822646E+03 -0.24107E-04 -0.12504E-06 220 0.225E-03 0.118E-03
DAV: 31 -0.383539834949E+03 -0.12302E-04 -0.65348E-07 228 0.210E-03 0.748E-04
DAV: 32 -0.383539837895E+03 -0.29468E-05 -0.31713E-07 228 0.131E-03
1 F= -.38353984E+03 E0= -.38355348E+03 d E =0.409340E-01