iterations/neb0_image05_iter21_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 0.161959252692E+04 0.16196E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.299992659950E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358454748468E+03 -0.65845E+03 -0.65494E+03 364 0.123E+02
DAV: 4 -0.433370897331E+03 -0.74916E+02 -0.74639E+02 308 0.527E+01
DAV: 5 -0.435032895811E+03 -0.16620E+01 -0.16593E+01 332 0.806E+00 0.427E+01
DAV: 6 -0.389024135931E+03 0.46009E+02 -0.14969E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385521666767E+03 0.35025E+01 -0.12582E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.384102012302E+03 0.14197E+01 -0.28744E+00 332 0.392E+00 0.435E+00
DAV: 9 -0.383533548545E+03 0.56846E+00 -0.72966E-01 324 0.202E+00 0.120E+00
DAV: 10 -0.383483332747E+03 0.50216E-01 -0.57299E-01 340 0.108E+00 0.784E-01
DAV: 11 -0.383458606574E+03 0.24726E-01 -0.31658E-02 324 0.488E-01 0.621E-01
DAV: 12 -0.383435888877E+03 0.22718E-01 -0.11874E-01 356 0.675E-01 0.792E-01
DAV: 13 -0.383425169597E+03 0.10719E-01 -0.79251E-02 348 0.424E-01 0.424E-01
DAV: 14 -0.383423920772E+03 0.12488E-02 -0.14143E-02 300 0.268E-01 0.325E-01
DAV: 15 -0.383427722017E+03 -0.38012E-02 -0.55249E-03 316 0.213E-01 0.239E-01
DAV: 16 -0.383438164551E+03 -0.10443E-01 -0.14104E-02 300 0.249E-01 0.207E-01
DAV: 17 -0.383448180000E+03 -0.10015E-01 -0.45990E-03 308 0.200E-01 0.265E-01
DAV: 18 -0.383456147081E+03 -0.79671E-02 -0.19232E-03 300 0.115E-01 0.854E-02
DAV: 19 -0.383463967891E+03 -0.78208E-02 -0.12731E-03 308 0.778E-02 0.452E-02
DAV: 20 -0.383469047004E+03 -0.50791E-02 -0.36558E-04 332 0.481E-02 0.587E-02
DAV: 21 -0.383474527866E+03 -0.54809E-02 -0.30219E-04 332 0.515E-02 0.436E-02
DAV: 22 -0.383477987049E+03 -0.34592E-02 -0.19914E-04 316 0.295E-02 0.250E-02
DAV: 23 -0.383479831253E+03 -0.18442E-02 -0.10313E-04 308 0.225E-02 0.860E-03
DAV: 24 -0.383480903003E+03 -0.10717E-02 -0.40980E-05 284 0.136E-02 0.821E-03
DAV: 25 -0.383481473430E+03 -0.57043E-03 -0.23095E-05 244 0.111E-02 0.916E-03
DAV: 26 -0.383481794878E+03 -0.32145E-03 -0.12840E-05 228 0.726E-03 0.356E-03
DAV: 27 -0.383481925565E+03 -0.13069E-03 -0.56780E-06 220 0.510E-03 0.206E-03
DAV: 28 -0.383482017015E+03 -0.91450E-04 -0.38117E-06 212 0.387E-03 0.314E-03
DAV: 29 -0.383482059882E+03 -0.42867E-04 -0.18040E-06 212 0.326E-03 0.146E-03
DAV: 30 -0.383482089100E+03 -0.29218E-04 -0.21675E-06 220 0.319E-03 0.225E-03
DAV: 31 -0.383482095990E+03 -0.68901E-05 -0.49078E-07 228 0.191E-03
1 F= -.38348210E+03 E0= -.38349573E+03 d E =0.409010E-01