iterations/neb0_image06_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 0.162068522739E+04 0.16207E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.301054400305E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.358020932908E+03 -0.65908E+03 -0.65495E+03 364 0.123E+02
DAV: 4 -0.433254924733E+03 -0.75234E+02 -0.74960E+02 308 0.528E+01
DAV: 5 -0.434942771242E+03 -0.16878E+01 -0.16854E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388926456028E+03 0.46016E+02 -0.15059E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385437156872E+03 0.34893E+01 -0.12588E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.384019635375E+03 0.14175E+01 -0.27505E+00 332 0.392E+00 0.432E+00
DAV: 9 -0.383447443419E+03 0.57219E+00 -0.61301E-01 332 0.196E+00 0.982E-01
DAV: 10 -0.383387622353E+03 0.59821E-01 -0.15983E-01 332 0.981E-01 0.741E-01
DAV: 11 -0.383373625254E+03 0.13997E-01 -0.43573E-02 340 0.445E-01 0.641E-01
DAV: 12 -0.383363958925E+03 0.96663E-02 -0.14463E-01 348 0.431E-01 0.722E-01
DAV: 13 -0.383351372960E+03 0.12586E-01 -0.65282E-02 308 0.352E-01 0.550E-01
DAV: 14 -0.383348857943E+03 0.25150E-02 -0.39247E-02 380 0.259E-01 0.216E-01
DAV: 15 -0.383351257907E+03 -0.24000E-02 -0.10807E-02 292 0.255E-01 0.191E-01
DAV: 16 -0.383360369014E+03 -0.91111E-02 -0.72061E-03 324 0.198E-01 0.131E-01
DAV: 17 -0.383372905213E+03 -0.12536E-01 -0.28420E-03 276 0.184E-01 0.100E-01
DAV: 18 -0.383381770092E+03 -0.88649E-02 -0.33063E-03 332 0.168E-01 0.116E-01
DAV: 19 -0.383386441657E+03 -0.46716E-02 -0.15217E-03 372 0.104E-01 0.977E-02
DAV: 20 -0.383389045923E+03 -0.26043E-02 -0.42143E-04 276 0.445E-02 0.675E-02
DAV: 21 -0.383394671344E+03 -0.56254E-02 -0.57492E-04 300 0.622E-02 0.301E-02
DAV: 22 -0.383398479318E+03 -0.38080E-02 -0.35687E-04 316 0.461E-02 0.317E-02
DAV: 23 -0.383400933886E+03 -0.24546E-02 -0.15408E-04 300 0.316E-02 0.171E-02
DAV: 24 -0.383403590680E+03 -0.26568E-02 -0.16232E-04 300 0.271E-02 0.159E-02
DAV: 25 -0.383404388951E+03 -0.79827E-03 -0.63010E-05 284 0.159E-02 0.127E-02
DAV: 26 -0.383404997125E+03 -0.60817E-03 -0.37985E-05 252 0.143E-02 0.910E-03
DAV: 27 -0.383405586148E+03 -0.58902E-03 -0.41080E-05 260 0.117E-02 0.627E-03
DAV: 28 -0.383405696724E+03 -0.11058E-03 -0.58508E-06 236 0.564E-03 0.246E-03
DAV: 29 -0.383405874739E+03 -0.17802E-03 -0.73356E-06 196 0.464E-03 0.226E-03
DAV: 30 -0.383405940058E+03 -0.65318E-04 -0.31704E-06 228 0.361E-03 0.142E-03
DAV: 31 -0.383405985657E+03 -0.45599E-04 -0.19477E-06 204 0.251E-03 0.112E-03
DAV: 32 -0.383405995195E+03 -0.95385E-05 -0.65911E-07 228 0.182E-03
1 F= -.38340600E+03 E0= -.38342332E+03 d E =0.519884E-01