iterations/neb0_image06_iter7_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 0.162119986862E+04 0.16212E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.301557503798E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.357801512586E+03 -0.65936E+03 -0.65477E+03 364 0.123E+02
DAV: 4 -0.433236956095E+03 -0.75435E+02 -0.75160E+02 308 0.529E+01
DAV: 5 -0.434931042480E+03 -0.16941E+01 -0.16916E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388900799184E+03 0.46030E+02 -0.15064E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385412044750E+03 0.34888E+01 -0.12561E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.383976995546E+03 0.14350E+01 -0.24442E+00 332 0.386E+00 0.429E+00
DAV: 9 -0.383414855275E+03 0.56214E+00 -0.60642E-01 332 0.193E+00 0.102E+00
DAV: 10 -0.383373544002E+03 0.41311E-01 -0.32390E-01 332 0.101E+00 0.110E+00
DAV: 11 -0.383349813700E+03 0.23730E-01 -0.23258E-01 324 0.534E-01 0.723E-01
DAV: 12 -0.383336406731E+03 0.13407E-01 -0.40763E-02 332 0.368E-01 0.521E-01
DAV: 13 -0.383322833678E+03 0.13573E-01 -0.10118E-01 324 0.472E-01 0.607E-01
DAV: 14 -0.383317171981E+03 0.56617E-02 -0.44467E-02 324 0.294E-01 0.235E-01
DAV: 15 -0.383320211689E+03 -0.30397E-02 -0.67790E-03 308 0.264E-01 0.184E-01
DAV: 16 -0.383330985635E+03 -0.10774E-01 -0.44986E-03 316 0.198E-01 0.108E-01
DAV: 17 -0.383344825654E+03 -0.13840E-01 -0.41864E-03 292 0.173E-01 0.861E-02
DAV: 18 -0.383353987816E+03 -0.91622E-02 -0.20614E-03 316 0.114E-01 0.668E-02
DAV: 19 -0.383359896021E+03 -0.59082E-02 -0.32311E-04 324 0.455E-02 0.542E-02
DAV: 20 -0.383367865459E+03 -0.79694E-02 -0.59889E-04 308 0.499E-02 0.233E-02
DAV: 21 -0.383371404900E+03 -0.35394E-02 -0.14441E-04 300 0.269E-02 0.220E-02
DAV: 22 -0.383374410464E+03 -0.30056E-02 -0.19707E-04 316 0.310E-02 0.147E-02
DAV: 23 -0.383375605783E+03 -0.11953E-02 -0.49384E-05 284 0.158E-02 0.909E-03
DAV: 24 -0.383376480356E+03 -0.87457E-03 -0.41781E-05 268 0.143E-02 0.510E-03
DAV: 25 -0.383376916427E+03 -0.43607E-03 -0.16307E-05 244 0.805E-03 0.369E-03
DAV: 26 -0.383377155766E+03 -0.23934E-03 -0.10112E-05 204 0.591E-03 0.368E-03
DAV: 27 -0.383377228750E+03 -0.72984E-04 -0.27390E-06 236 0.368E-03 0.179E-03
DAV: 28 -0.383377293607E+03 -0.64856E-04 -0.28017E-06 204 0.380E-03 0.170E-03
DAV: 29 -0.383377325545E+03 -0.31939E-04 -0.15460E-06 220 0.248E-03 0.144E-03
DAV: 30 -0.383377338314E+03 -0.12769E-04 -0.75330E-07 228 0.204E-03 0.888E-04
DAV: 31 -0.383377346857E+03 -0.85426E-05 -0.42601E-07 220 0.140E-03
1 F= -.38337735E+03 E0= -.38339030E+03 d E =0.388653E-01