iterations/neb0_image06_iter6_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 0.162106804720E+04 0.16211E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.301524924608E+03 -0.13195E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.357774952030E+03 -0.65930E+03 -0.65469E+03 364 0.123E+02
DAV: 4 -0.433215695771E+03 -0.75441E+02 -0.75165E+02 308 0.529E+01
DAV: 5 -0.434910231621E+03 -0.16945E+01 -0.16921E+01 348 0.812E+00 0.427E+01
DAV: 6 -0.388896855679E+03 0.46013E+02 -0.15062E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385409619420E+03 0.34872E+01 -0.12544E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.383974315788E+03 0.14353E+01 -0.24558E+00 332 0.385E+00 0.429E+00
DAV: 9 -0.383423175161E+03 0.55114E+00 -0.73281E-01 324 0.197E+00 0.983E-01
DAV: 10 -0.383364434566E+03 0.58741E-01 -0.11641E-01 340 0.899E-01 0.832E-01
DAV: 11 -0.383354011860E+03 0.10423E-01 -0.27232E-01 364 0.713E-01 0.107E+00
DAV: 12 -0.383329750512E+03 0.24261E-01 -0.18191E-01 316 0.430E-01 0.676E-01
DAV: 13 -0.383325352028E+03 0.43985E-02 -0.61393E-02 348 0.296E-01 0.388E-01
DAV: 14 -0.383315435313E+03 0.99167E-02 -0.25767E-02 308 0.391E-01 0.218E-01
DAV: 15 -0.383319041450E+03 -0.36061E-02 -0.82712E-03 324 0.258E-01 0.247E-01
DAV: 16 -0.383330493771E+03 -0.11452E-01 -0.77433E-03 284 0.211E-01 0.137E-01
DAV: 17 -0.383342858189E+03 -0.12364E-01 -0.39885E-03 300 0.167E-01 0.105E-01
DAV: 18 -0.383351341275E+03 -0.84831E-02 -0.13877E-03 324 0.958E-02 0.989E-02
DAV: 19 -0.383359354512E+03 -0.80132E-02 -0.10693E-03 300 0.609E-02 0.364E-02
DAV: 20 -0.383364529233E+03 -0.51747E-02 -0.26687E-04 308 0.387E-02 0.326E-02
DAV: 21 -0.383369062227E+03 -0.45330E-02 -0.24276E-04 308 0.315E-02 0.174E-02
DAV: 22 -0.383372598571E+03 -0.35363E-02 -0.20148E-04 300 0.267E-02 0.115E-02
DAV: 23 -0.383373748251E+03 -0.11497E-02 -0.59927E-05 300 0.158E-02 0.106E-02
DAV: 24 -0.383374533484E+03 -0.78523E-03 -0.32947E-05 260 0.105E-02 0.422E-03
DAV: 25 -0.383374849373E+03 -0.31589E-03 -0.10761E-05 228 0.672E-03 0.313E-03
DAV: 26 -0.383375015244E+03 -0.16587E-03 -0.69080E-06 204 0.445E-03 0.304E-03
DAV: 27 -0.383375098959E+03 -0.83715E-04 -0.41231E-06 228 0.427E-03 0.113E-03
DAV: 28 -0.383375139211E+03 -0.40252E-04 -0.22370E-06 204 0.296E-03 0.195E-03
DAV: 29 -0.383375147493E+03 -0.82815E-05 -0.62707E-07 228 0.180E-03
1 F= -.38337515E+03 E0= -.38338810E+03 d E =0.388443E-01