iterations/neb0_image07_iter25_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 0.150634874721E+04 0.15063E+04 -0.43556E+04 322 0.697E+02
DAV: 2 0.248250723210E+03 -0.12581E+04 -0.11839E+04 428 0.164E+02
DAV: 3 -0.359261666711E+03 -0.60751E+03 -0.60335E+03 356 0.117E+02
DAV: 4 -0.433022984042E+03 -0.73761E+02 -0.73449E+02 316 0.513E+01
DAV: 5 -0.434716772557E+03 -0.16938E+01 -0.16909E+01 332 0.787E+00 0.426E+01
DAV: 6 -0.388813188568E+03 0.45904E+02 -0.14973E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385324844381E+03 0.34883E+01 -0.12594E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383898985955E+03 0.14259E+01 -0.24067E+00 332 0.391E+00 0.428E+00
DAV: 9 -0.383341578129E+03 0.55741E+00 -0.60740E-01 332 0.191E+00 0.968E-01
DAV: 10 -0.383281314646E+03 0.60263E-01 -0.14334E-01 340 0.969E-01 0.737E-01
DAV: 11 -0.383264467934E+03 0.16847E-01 -0.38448E-02 364 0.503E-01 0.703E-01
DAV: 12 -0.383256119969E+03 0.83480E-02 -0.74571E-02 316 0.322E-01 0.483E-01
DAV: 13 -0.383244619035E+03 0.11501E-01 -0.52823E-02 308 0.375E-01 0.407E-01
DAV: 14 -0.383244348737E+03 0.27030E-03 -0.44936E-02 380 0.265E-01 0.268E-01
DAV: 15 -0.383245510070E+03 -0.11613E-02 -0.16012E-02 292 0.268E-01 0.264E-01
DAV: 16 -0.383260246417E+03 -0.14736E-01 -0.18038E-02 308 0.275E-01 0.271E-01
DAV: 17 -0.383270447963E+03 -0.10202E-01 -0.13708E-02 300 0.204E-01 0.210E-01
DAV: 18 -0.383276160155E+03 -0.57122E-02 -0.30358E-03 316 0.125E-01 0.792E-02
DAV: 19 -0.383283072925E+03 -0.69128E-02 -0.73005E-04 292 0.657E-02 0.760E-02
DAV: 20 -0.383287060746E+03 -0.39878E-02 -0.29336E-04 332 0.399E-02 0.377E-02
DAV: 21 -0.383294417825E+03 -0.73571E-02 -0.65406E-04 308 0.519E-02 0.270E-02
DAV: 22 -0.383296993431E+03 -0.25756E-02 -0.12384E-04 308 0.268E-02 0.198E-02
DAV: 23 -0.383298353068E+03 -0.13596E-02 -0.51624E-05 284 0.155E-02 0.178E-02
DAV: 24 -0.383299959983E+03 -0.16069E-02 -0.80687E-05 284 0.153E-02 0.104E-02
DAV: 25 -0.383300496857E+03 -0.53687E-03 -0.24232E-05 252 0.986E-03 0.455E-03
DAV: 26 -0.383300750142E+03 -0.25329E-03 -0.10187E-05 220 0.685E-03 0.521E-03
DAV: 27 -0.383300913672E+03 -0.16353E-03 -0.76720E-06 220 0.609E-03 0.368E-03
DAV: 28 -0.383300963011E+03 -0.49339E-04 -0.30118E-06 220 0.456E-03 0.278E-03
DAV: 29 -0.383300988824E+03 -0.25813E-04 -0.20036E-06 220 0.394E-03 0.221E-03
DAV: 30 -0.383301001148E+03 -0.12324E-04 -0.12781E-06 228 0.291E-03 0.216E-03
DAV: 31 -0.383301000840E+03 0.30858E-06 -0.49821E-07 220 0.155E-03
1 F= -.38330100E+03 E0= -.38331548E+03 d E =0.434426E-01