iterations/neb0_image04_iter25_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 0.161884588636E+04 0.16188E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.297970617887E+03 -0.13209E+04 -0.12419E+04 420 0.168E+02
DAV: 3 -0.354117953681E+03 -0.65209E+03 -0.64850E+03 356 0.123E+02
DAV: 4 -0.433250207151E+03 -0.79132E+02 -0.78791E+02 316 0.540E+01
DAV: 5 -0.435094308530E+03 -0.18441E+01 -0.18419E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389071725696E+03 0.46023E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385571625129E+03 0.35001E+01 -0.12404E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384141017609E+03 0.14306E+01 -0.26913E+00 332 0.389E+00 0.430E+00
DAV: 9 -0.383565870002E+03 0.57515E+00 -0.61472E-01 324 0.195E+00 0.106E+00
DAV: 10 -0.383524125563E+03 0.41744E-01 -0.47080E-01 340 0.116E+00 0.118E+00
DAV: 11 -0.383494712846E+03 0.29413E-01 -0.16642E-01 316 0.562E-01 0.752E-01
DAV: 12 -0.383486543190E+03 0.81697E-02 -0.60624E-02 324 0.366E-01 0.566E-01
DAV: 13 -0.383471934750E+03 0.14608E-01 -0.99966E-02 340 0.474E-01 0.587E-01
DAV: 14 -0.383463743178E+03 0.81916E-02 -0.55962E-02 308 0.331E-01 0.232E-01
DAV: 15 -0.383465831688E+03 -0.20885E-02 -0.91714E-03 308 0.282E-01 0.206E-01
DAV: 16 -0.383474901294E+03 -0.90696E-02 -0.37758E-03 316 0.196E-01 0.138E-01
DAV: 17 -0.383489293044E+03 -0.14392E-01 -0.69337E-03 340 0.247E-01 0.126E-01
DAV: 18 -0.383494378576E+03 -0.50855E-02 -0.31190E-03 316 0.139E-01 0.105E-01
DAV: 19 -0.383498177438E+03 -0.37989E-02 -0.86553E-04 332 0.576E-02 0.714E-02
DAV: 20 -0.383504089556E+03 -0.59121E-02 -0.44031E-04 284 0.418E-02 0.573E-02
DAV: 21 -0.383511476838E+03 -0.73873E-02 -0.65507E-04 300 0.460E-02 0.381E-02
DAV: 22 -0.383513961453E+03 -0.24846E-02 -0.14384E-04 340 0.327E-02 0.259E-02
DAV: 23 -0.383518066906E+03 -0.41055E-02 -0.26279E-04 300 0.337E-02 0.169E-02
DAV: 24 -0.383519712111E+03 -0.16452E-02 -0.73993E-05 316 0.192E-02 0.109E-02
DAV: 25 -0.383520562623E+03 -0.85051E-03 -0.34523E-05 300 0.130E-02 0.938E-03
DAV: 26 -0.383521470771E+03 -0.90815E-03 -0.45182E-05 276 0.118E-02 0.503E-03
DAV: 27 -0.383521801434E+03 -0.33066E-03 -0.11797E-05 228 0.665E-03 0.408E-03
DAV: 28 -0.383521976493E+03 -0.17506E-03 -0.82722E-06 212 0.501E-03 0.203E-03
DAV: 29 -0.383522040596E+03 -0.64103E-04 -0.29236E-06 228 0.369E-03 0.198E-03
DAV: 30 -0.383522089623E+03 -0.49027E-04 -0.21401E-06 196 0.276E-03 0.111E-03
DAV: 31 -0.383522108271E+03 -0.18648E-04 -0.97133E-07 228 0.171E-03 0.551E-04
DAV: 32 -0.383522121041E+03 -0.12771E-04 -0.60952E-07 212 0.146E-03 0.553E-04
DAV: 33 -0.383522124228E+03 -0.31869E-05 -0.21264E-07 228 0.872E-04
1 F= -.38352212E+03 E0= -.38353939E+03 d E =0.517928E-01