iterations/neb0_image04_iter1_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 0.161874889341E+04 0.16187E+04 -0.42279E+04 306 0.697E+02
DAV: 2 0.297940231416E+03 -0.13208E+04 -0.12418E+04 420 0.168E+02
DAV: 3 -0.354075261397E+03 -0.65202E+03 -0.64845E+03 356 0.123E+02
DAV: 4 -0.433227888426E+03 -0.79153E+02 -0.78812E+02 316 0.540E+01
DAV: 5 -0.435073690828E+03 -0.18458E+01 -0.18435E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389065488127E+03 0.46008E+02 -0.15046E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385568174600E+03 0.34973E+01 -0.12362E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384134508126E+03 0.14337E+01 -0.22824E+00 332 0.379E+00 0.427E+00
DAV: 9 -0.383560761023E+03 0.57375E+00 -0.74232E-01 324 0.203E+00 0.104E+00
DAV: 10 -0.383504497034E+03 0.56264E-01 -0.12826E-01 332 0.867E-01 0.774E-01
DAV: 11 -0.383487906239E+03 0.16591E-01 -0.83637E-02 332 0.476E-01 0.649E-01
DAV: 12 -0.383470795084E+03 0.17111E-01 -0.60333E-02 316 0.400E-01 0.480E-01
DAV: 13 -0.383459586453E+03 0.11209E-01 -0.64185E-02 316 0.450E-01 0.533E-01
DAV: 14 -0.383458349704E+03 0.12367E-02 -0.48583E-02 332 0.352E-01 0.292E-01
DAV: 15 -0.383465153966E+03 -0.68043E-02 -0.20671E-02 300 0.258E-01 0.227E-01
DAV: 16 -0.383472272034E+03 -0.71181E-02 -0.86747E-03 300 0.187E-01 0.186E-01
DAV: 17 -0.383484113709E+03 -0.11842E-01 -0.27965E-03 284 0.140E-01 0.839E-02
DAV: 18 -0.383496182305E+03 -0.12069E-01 -0.22636E-03 316 0.116E-01 0.719E-02
DAV: 19 -0.383503556985E+03 -0.73747E-02 -0.65802E-04 316 0.658E-02 0.611E-02
DAV: 20 -0.383511147745E+03 -0.75908E-02 -0.54098E-04 300 0.480E-02 0.265E-02
DAV: 21 -0.383515113196E+03 -0.39655E-02 -0.29048E-04 316 0.307E-02 0.227E-02
DAV: 22 -0.383516536285E+03 -0.14231E-02 -0.71107E-05 308 0.211E-02 0.194E-02
DAV: 23 -0.383517569002E+03 -0.10327E-02 -0.44094E-05 276 0.129E-02 0.148E-02
DAV: 24 -0.383518050937E+03 -0.48193E-03 -0.25654E-05 236 0.953E-03 0.890E-03
DAV: 25 -0.383518352249E+03 -0.30131E-03 -0.21173E-05 252 0.894E-03 0.497E-03
DAV: 26 -0.383518410906E+03 -0.58657E-04 -0.16972E-06 236 0.398E-03 0.351E-03
DAV: 27 -0.383518490140E+03 -0.79234E-04 -0.28848E-06 204 0.408E-03 0.542E-03
DAV: 28 -0.383518534200E+03 -0.44059E-04 -0.16000E-06 220 0.260E-03 0.258E-03
DAV: 29 -0.383518559351E+03 -0.25151E-04 -0.88477E-07 212 0.225E-03 0.936E-04
DAV: 30 -0.383518576869E+03 -0.17518E-04 -0.78059E-07 220 0.168E-03 0.991E-04
DAV: 31 -0.383518583206E+03 -0.63371E-05 -0.22279E-07 228 0.987E-04
1 F= -.38351858E+03 E0= -.38353141E+03 d E =0.384788E-01