iterations/neb0_image03_iter5_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 0.161844774596E+04 0.16184E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.297557369347E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357375332656E+03 -0.65493E+03 -0.65132E+03 364 0.123E+02
DAV: 4 -0.433417277889E+03 -0.76042E+02 -0.75723E+02 316 0.521E+01
DAV: 5 -0.435155532286E+03 -0.17383E+01 -0.17361E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389093925452E+03 0.46062E+02 -0.15144E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385597597449E+03 0.34963E+01 -0.12341E+01 340 0.766E+00 0.104E+01
DAV: 8 -0.384156696696E+03 0.14409E+01 -0.26589E+00 332 0.387E+00 0.433E+00
DAV: 9 -0.383605263234E+03 0.55143E+00 -0.98756E-01 324 0.206E+00 0.112E+00
DAV: 10 -0.383527957462E+03 0.77306E-01 -0.16792E-01 332 0.982E-01 0.805E-01
DAV: 11 -0.383505791284E+03 0.22166E-01 -0.49198E-02 324 0.480E-01 0.625E-01
DAV: 12 -0.383493844014E+03 0.11947E-01 -0.21816E-01 316 0.558E-01 0.464E-01
DAV: 13 -0.383486079873E+03 0.77641E-02 -0.12049E-02 324 0.332E-01 0.404E-01
DAV: 14 -0.383484201603E+03 0.18783E-02 -0.21094E-02 308 0.404E-01 0.335E-01
DAV: 15 -0.383487136064E+03 -0.29345E-02 -0.24083E-02 364 0.269E-01 0.240E-01
DAV: 16 -0.383490074741E+03 -0.29387E-02 -0.69362E-03 300 0.116E-01 0.150E-01
DAV: 17 -0.383498523055E+03 -0.84483E-02 -0.34088E-03 292 0.116E-01 0.155E-01
DAV: 18 -0.383513064347E+03 -0.14541E-01 -0.28496E-03 292 0.179E-01 0.267E-01
DAV: 19 -0.383514648911E+03 -0.15846E-02 -0.17797E-03 324 0.111E-01 0.889E-02
DAV: 20 -0.383521042377E+03 -0.63935E-02 -0.67628E-04 316 0.645E-02 0.633E-02
DAV: 21 -0.383527610077E+03 -0.65677E-02 -0.35329E-04 316 0.450E-02 0.501E-02
DAV: 22 -0.383532754290E+03 -0.51442E-02 -0.34993E-04 324 0.387E-02 0.389E-02
DAV: 23 -0.383534859875E+03 -0.21056E-02 -0.91011E-05 308 0.244E-02 0.159E-02
DAV: 24 -0.383537092579E+03 -0.22327E-02 -0.11999E-04 292 0.222E-02 0.249E-02
DAV: 25 -0.383537874809E+03 -0.78223E-03 -0.37452E-05 276 0.129E-02 0.642E-03
DAV: 26 -0.383538492981E+03 -0.61817E-03 -0.28081E-05 268 0.988E-03 0.415E-03
DAV: 27 -0.383538759089E+03 -0.26611E-03 -0.77395E-06 228 0.596E-03 0.810E-03
DAV: 28 -0.383538914565E+03 -0.15548E-03 -0.67494E-06 220 0.598E-03 0.194E-03
DAV: 29 -0.383538985181E+03 -0.70616E-04 -0.33804E-06 212 0.384E-03 0.177E-03
DAV: 30 -0.383539003705E+03 -0.18525E-04 -0.99749E-07 228 0.255E-03 0.147E-03
DAV: 31 -0.383539049800E+03 -0.46095E-04 -0.20729E-06 188 0.283E-03 0.156E-03
DAV: 32 -0.383539055915E+03 -0.61146E-05 -0.44277E-07 220 0.161E-03
1 F= -.38353906E+03 E0= -.38355252E+03 d E =0.403886E-01