iterations/neb0_image05_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 0.161993953902E+04 0.16199E+04 -0.42286E+04 306 0.697E+02
DAV: 2 0.300228303018E+03 -0.13197E+04 -0.12417E+04 420 0.168E+02
DAV: 3 -0.358419256037E+03 -0.65865E+03 -0.65512E+03 364 0.123E+02
DAV: 4 -0.433398105340E+03 -0.74979E+02 -0.74702E+02 308 0.528E+01
DAV: 5 -0.435062006099E+03 -0.16639E+01 -0.16612E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389012690086E+03 0.46049E+02 -0.14970E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385519918290E+03 0.34928E+01 -0.12870E+01 340 0.774E+00 0.104E+01
DAV: 8 -0.384089052922E+03 0.14309E+01 -0.25092E+00 332 0.389E+00 0.429E+00
DAV: 9 -0.383520115727E+03 0.56894E+00 -0.61849E-01 332 0.193E+00 0.997E-01
DAV: 10 -0.383457581881E+03 0.62534E-01 -0.17988E-01 332 0.104E+00 0.749E-01
DAV: 11 -0.383444152387E+03 0.13429E-01 -0.45300E-02 324 0.459E-01 0.632E-01
DAV: 12 -0.383430659728E+03 0.13493E-01 -0.10536E-01 324 0.456E-01 0.671E-01
DAV: 13 -0.383420339238E+03 0.10320E-01 -0.35168E-02 308 0.327E-01 0.430E-01
DAV: 14 -0.383419775114E+03 0.56412E-03 -0.33888E-02 340 0.259E-01 0.251E-01
DAV: 15 -0.383421578797E+03 -0.18037E-02 -0.15199E-02 308 0.282E-01 0.226E-01
DAV: 16 -0.383432586662E+03 -0.11008E-01 -0.76212E-03 292 0.208E-01 0.114E-01
DAV: 17 -0.383446185104E+03 -0.13598E-01 -0.36538E-03 284 0.171E-01 0.726E-02
DAV: 18 -0.383455149669E+03 -0.89646E-02 -0.17090E-03 316 0.102E-01 0.689E-02
DAV: 19 -0.383462036822E+03 -0.68872E-02 -0.33613E-04 300 0.434E-02 0.439E-02
DAV: 20 -0.383470043392E+03 -0.80066E-02 -0.76893E-04 316 0.522E-02 0.293E-02
DAV: 21 -0.383473030171E+03 -0.29868E-02 -0.13006E-04 300 0.273E-02 0.240E-02
DAV: 22 -0.383474926945E+03 -0.18968E-02 -0.12264E-04 324 0.247E-02 0.113E-02
DAV: 23 -0.383476342163E+03 -0.14152E-02 -0.61056E-05 292 0.173E-02 0.694E-03
DAV: 24 -0.383477030073E+03 -0.68791E-03 -0.30891E-05 260 0.121E-02 0.434E-03
DAV: 25 -0.383477438566E+03 -0.40849E-03 -0.19762E-05 236 0.103E-02 0.429E-03
DAV: 26 -0.383477564731E+03 -0.12617E-03 -0.72828E-06 236 0.698E-03 0.267E-03
DAV: 27 -0.383477613772E+03 -0.49041E-04 -0.26272E-06 220 0.437E-03 0.194E-03
DAV: 28 -0.383477677750E+03 -0.63977E-04 -0.32884E-06 212 0.523E-03 0.145E-03
DAV: 29 -0.383477707761E+03 -0.30011E-04 -0.38656E-06 212 0.573E-03 0.195E-03
DAV: 30 -0.383477714222E+03 -0.64612E-05 -0.19923E-06 228 0.396E-03
1 F= -.38347771E+03 E0= -.38349143E+03 d E =0.411577E-01