iterations/neb0_image06_iter10_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 0.162157352120E+04 0.16216E+04 -0.42288E+04 306 0.697E+02
DAV: 2 0.301625154994E+03 -0.13199E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.357907327971E+03 -0.65953E+03 -0.65504E+03 364 0.123E+02
DAV: 4 -0.433306385892E+03 -0.75399E+02 -0.75124E+02 308 0.529E+01
DAV: 5 -0.434998403766E+03 -0.16920E+01 -0.16896E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388916102368E+03 0.46082E+02 -0.15069E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385423074816E+03 0.34930E+01 -0.12686E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.383996036499E+03 0.14270E+01 -0.27346E+00 332 0.393E+00 0.430E+00
DAV: 9 -0.383428107203E+03 0.56793E+00 -0.61023E-01 332 0.195E+00 0.105E+00
DAV: 10 -0.383385343842E+03 0.42763E-01 -0.44509E-01 332 0.115E+00 0.118E+00
DAV: 11 -0.383357435678E+03 0.27908E-01 -0.17740E-01 316 0.556E-01 0.741E-01
DAV: 12 -0.383349010298E+03 0.84254E-02 -0.53130E-02 324 0.361E-01 0.557E-01
DAV: 13 -0.383335124027E+03 0.13886E-01 -0.10634E-01 332 0.471E-01 0.608E-01
DAV: 14 -0.383326737424E+03 0.83866E-02 -0.55756E-02 308 0.321E-01 0.222E-01
DAV: 15 -0.383328709755E+03 -0.19723E-02 -0.88923E-03 300 0.274E-01 0.201E-01
DAV: 16 -0.383338394371E+03 -0.96846E-02 -0.40125E-03 324 0.187E-01 0.135E-01
DAV: 17 -0.383352497771E+03 -0.14103E-01 -0.36907E-03 300 0.183E-01 0.722E-02
DAV: 18 -0.383360756869E+03 -0.82591E-02 -0.22183E-03 308 0.128E-01 0.801E-02
DAV: 19 -0.383367391879E+03 -0.66350E-02 -0.58109E-04 348 0.573E-02 0.580E-02
DAV: 20 -0.383375052900E+03 -0.76610E-02 -0.52196E-04 308 0.470E-02 0.299E-02
DAV: 21 -0.383379582443E+03 -0.45295E-02 -0.21862E-04 316 0.326E-02 0.226E-02
DAV: 22 -0.383382304592E+03 -0.27221E-02 -0.15654E-04 300 0.278E-02 0.155E-02
DAV: 23 -0.383384141829E+03 -0.18372E-02 -0.85736E-05 316 0.188E-02 0.946E-03
DAV: 24 -0.383385059050E+03 -0.91722E-03 -0.36988E-05 276 0.134E-02 0.780E-03
DAV: 25 -0.383385584717E+03 -0.52567E-03 -0.25266E-05 252 0.112E-02 0.490E-03
DAV: 26 -0.383385858649E+03 -0.27393E-03 -0.11236E-05 212 0.681E-03 0.415E-03
DAV: 27 -0.383385969502E+03 -0.11085E-03 -0.58586E-06 236 0.624E-03 0.205E-03
DAV: 28 -0.383386005636E+03 -0.36134E-04 -0.19869E-06 228 0.342E-03 0.188E-03
DAV: 29 -0.383386062171E+03 -0.56536E-04 -0.18256E-06 212 0.325E-03 0.124E-03
DAV: 30 -0.383386095648E+03 -0.33477E-04 -0.19592E-06 220 0.299E-03 0.151E-03
DAV: 31 -0.383386101761E+03 -0.61124E-05 -0.56253E-07 228 0.241E-03
1 F= -.38338610E+03 E0= -.38339934E+03 d E =0.397008E-01