iterations/neb0_image08_iter20_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 0.150793036977E+04 0.15079E+04 -0.43549E+04 322 0.697E+02
DAV: 2 0.252101948463E+03 -0.12558E+04 -0.11787E+04 420 0.164E+02
DAV: 3 -0.357665161030E+03 -0.60977E+03 -0.60501E+03 356 0.117E+02
DAV: 4 -0.432762250207E+03 -0.75097E+02 -0.74754E+02 316 0.516E+01
DAV: 5 -0.434489668908E+03 -0.17274E+01 -0.17244E+01 332 0.797E+00 0.426E+01
DAV: 6 -0.388612859141E+03 0.45877E+02 -0.14940E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385102181685E+03 0.35107E+01 -0.12271E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383688150501E+03 0.14140E+01 -0.23699E+00 332 0.387E+00 0.426E+00
DAV: 9 -0.383137416954E+03 0.55073E+00 -0.66701E-01 332 0.195E+00 0.115E+00
DAV: 10 -0.383097515059E+03 0.39902E-01 -0.48558E-01 340 0.995E-01 0.767E-01
DAV: 11 -0.383072616975E+03 0.24898E-01 -0.31962E-02 316 0.477E-01 0.561E-01
DAV: 12 -0.383049285117E+03 0.23332E-01 -0.68503E-02 332 0.609E-01 0.560E-01
DAV: 13 -0.383045082712E+03 0.42024E-02 -0.52071E-02 340 0.345E-01 0.343E-01
DAV: 14 -0.383044934856E+03 0.14786E-03 -0.40073E-02 292 0.277E-01 0.469E-01
DAV: 15 -0.383046352839E+03 -0.14180E-02 -0.31666E-02 332 0.254E-01 0.254E-01
DAV: 16 -0.383054469770E+03 -0.81169E-02 -0.90261E-03 300 0.239E-01 0.137E-01
DAV: 17 -0.383063418857E+03 -0.89491E-02 -0.43607E-03 324 0.174E-01 0.144E-01
DAV: 18 -0.383071882373E+03 -0.84635E-02 -0.12296E-03 292 0.105E-01 0.941E-02
DAV: 19 -0.383082388155E+03 -0.10506E-01 -0.17643E-03 284 0.101E-01 0.730E-02
DAV: 20 -0.383086887348E+03 -0.44992E-02 -0.51199E-04 324 0.619E-02 0.956E-02
DAV: 21 -0.383089168273E+03 -0.22809E-02 -0.29342E-04 356 0.564E-02 0.471E-02
DAV: 22 -0.383094943506E+03 -0.57752E-02 -0.45852E-04 300 0.464E-02 0.279E-02
DAV: 23 -0.383096283343E+03 -0.13398E-02 -0.54036E-05 308 0.183E-02 0.183E-02
DAV: 24 -0.383097787542E+03 -0.15042E-02 -0.91160E-05 316 0.255E-02 0.146E-02
DAV: 25 -0.383099039163E+03 -0.12516E-02 -0.51545E-05 284 0.155E-02 0.103E-02
DAV: 26 -0.383099326208E+03 -0.28705E-03 -0.77331E-06 244 0.697E-03 0.677E-03
DAV: 27 -0.383099825949E+03 -0.49974E-03 -0.28570E-05 236 0.862E-03 0.309E-03
DAV: 28 -0.383099944078E+03 -0.11813E-03 -0.40006E-06 228 0.418E-03 0.211E-03
DAV: 29 -0.383100024637E+03 -0.80559E-04 -0.29975E-06 220 0.412E-03 0.373E-03
DAV: 30 -0.383100076857E+03 -0.52220E-04 -0.16057E-06 220 0.295E-03 0.151E-03
DAV: 31 -0.383100104436E+03 -0.27579E-04 -0.16493E-06 212 0.318E-03 0.201E-03
DAV: 32 -0.383100117785E+03 -0.13349E-04 -0.58881E-07 228 0.179E-03 0.965E-04
DAV: 33 -0.383100124910E+03 -0.71255E-05 -0.35956E-07 220 0.136E-03
1 F= -.38310012E+03 E0= -.38311337E+03 d E =0.397318E-01