iterations/neb0_image04_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 0.161895316165E+04 0.16190E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.298032969648E+03 -0.13209E+04 -0.12419E+04 420 0.168E+02
DAV: 3 -0.354107191058E+03 -0.65214E+03 -0.64858E+03 356 0.123E+02
DAV: 4 -0.433251566911E+03 -0.79144E+02 -0.78804E+02 316 0.540E+01
DAV: 5 -0.435097077402E+03 -0.18455E+01 -0.18432E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389067309978E+03 0.46030E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385564388202E+03 0.35029E+01 -0.12337E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384121755847E+03 0.14426E+01 -0.22950E+00 332 0.381E+00 0.427E+00
DAV: 9 -0.383560873540E+03 0.56088E+00 -0.62833E-01 324 0.193E+00 0.103E+00
DAV: 10 -0.383507924324E+03 0.52949E-01 -0.19546E-01 348 0.964E-01 0.917E-01
DAV: 11 -0.383491392181E+03 0.16532E-01 -0.18663E-01 316 0.498E-01 0.657E-01
DAV: 12 -0.383470789097E+03 0.20603E-01 -0.19498E-02 340 0.375E-01 0.405E-01
DAV: 13 -0.383460048400E+03 0.10741E-01 -0.42858E-02 308 0.448E-01 0.434E-01
DAV: 14 -0.383460655660E+03 -0.60726E-03 -0.23124E-02 324 0.283E-01 0.206E-01
DAV: 15 -0.383465026577E+03 -0.43709E-02 -0.93027E-03 292 0.230E-01 0.191E-01
DAV: 16 -0.383474804712E+03 -0.97781E-02 -0.43433E-03 316 0.182E-01 0.196E-01
DAV: 17 -0.383486500055E+03 -0.11695E-01 -0.35174E-03 284 0.167E-01 0.189E-01
DAV: 18 -0.383496041709E+03 -0.95417E-02 -0.32321E-03 308 0.138E-01 0.515E-02
DAV: 19 -0.383503549047E+03 -0.75073E-02 -0.83987E-04 316 0.676E-02 0.472E-02
DAV: 20 -0.383508155762E+03 -0.46067E-02 -0.24970E-04 324 0.382E-02 0.285E-02
DAV: 21 -0.383513670541E+03 -0.55148E-02 -0.30589E-04 308 0.330E-02 0.169E-02
DAV: 22 -0.383516701538E+03 -0.30310E-02 -0.15861E-04 300 0.236E-02 0.141E-02
DAV: 23 -0.383518271395E+03 -0.15699E-02 -0.81873E-05 300 0.171E-02 0.643E-03
DAV: 24 -0.383518878997E+03 -0.60760E-03 -0.19479E-05 252 0.997E-03 0.438E-03
DAV: 25 -0.383519237077E+03 -0.35808E-03 -0.13262E-05 212 0.688E-03 0.555E-03
DAV: 26 -0.383519368773E+03 -0.13170E-03 -0.55579E-06 228 0.491E-03 0.199E-03
DAV: 27 -0.383519481921E+03 -0.11315E-03 -0.48119E-06 196 0.402E-03 0.163E-03
DAV: 28 -0.383519502000E+03 -0.20079E-04 -0.12397E-06 228 0.246E-03 0.106E-03
DAV: 29 -0.383519538459E+03 -0.36459E-04 -0.22675E-06 196 0.370E-03 0.154E-03
DAV: 30 -0.383519543576E+03 -0.51170E-05 -0.49169E-07 220 0.194E-03
1 F= -.38351954E+03 E0= -.38353250E+03 d E =0.388685E-01