iterations/neb0_image05_iter28_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 0.161938807979E+04 0.16194E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.299880586452E+03 -0.13195E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.358457487820E+03 -0.65834E+03 -0.65485E+03 364 0.123E+02
DAV: 4 -0.433348455690E+03 -0.74891E+02 -0.74614E+02 308 0.527E+01
DAV: 5 -0.435010102067E+03 -0.16616E+01 -0.16590E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389011523061E+03 0.45999E+02 -0.14965E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385523418660E+03 0.34881E+01 -0.12777E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.384102013450E+03 0.14214E+01 -0.27456E+00 332 0.391E+00 0.433E+00
DAV: 9 -0.383524050362E+03 0.57796E+00 -0.62623E-01 332 0.197E+00 0.102E+00
DAV: 10 -0.383474923969E+03 0.49126E-01 -0.33346E-01 332 0.110E+00 0.113E+00
DAV: 11 -0.383455741596E+03 0.19182E-01 -0.18101E-01 316 0.512E-01 0.743E-01
DAV: 12 -0.383445369520E+03 0.10372E-01 -0.46274E-02 316 0.361E-01 0.573E-01
DAV: 13 -0.383433044703E+03 0.12325E-01 -0.13686E-01 316 0.503E-01 0.715E-01
DAV: 14 -0.383423186493E+03 0.98582E-02 -0.62791E-02 316 0.322E-01 0.227E-01
DAV: 15 -0.383425265990E+03 -0.20795E-02 -0.78718E-03 300 0.263E-01 0.187E-01
DAV: 16 -0.383435820054E+03 -0.10554E-01 -0.50265E-03 316 0.202E-01 0.161E-01
DAV: 17 -0.383447784517E+03 -0.11964E-01 -0.27149E-03 292 0.167E-01 0.887E-02
DAV: 18 -0.383458237629E+03 -0.10453E-01 -0.28336E-03 308 0.147E-01 0.739E-02
DAV: 19 -0.383465501909E+03 -0.72643E-02 -0.91914E-04 356 0.765E-02 0.654E-02
DAV: 20 -0.383471689365E+03 -0.61875E-02 -0.31465E-04 300 0.413E-02 0.397E-02
DAV: 21 -0.383477180672E+03 -0.54913E-02 -0.32223E-04 308 0.371E-02 0.216E-02
DAV: 22 -0.383479134094E+03 -0.19534E-02 -0.98316E-05 308 0.231E-02 0.158E-02
DAV: 23 -0.383481330712E+03 -0.21966E-02 -0.92374E-05 300 0.197E-02 0.754E-03
DAV: 24 -0.383482575748E+03 -0.12450E-02 -0.67358E-05 300 0.157E-02 0.769E-03
DAV: 25 -0.383483104339E+03 -0.52859E-03 -0.30311E-05 260 0.128E-02 0.483E-03
DAV: 26 -0.383483294631E+03 -0.19029E-03 -0.65991E-06 220 0.610E-03 0.413E-03
DAV: 27 -0.383483431323E+03 -0.13669E-03 -0.61255E-06 220 0.602E-03 0.264E-03
DAV: 28 -0.383483492646E+03 -0.61323E-04 -0.32220E-06 220 0.439E-03 0.236E-03
DAV: 29 -0.383483538077E+03 -0.45430E-04 -0.17403E-06 220 0.347E-03 0.155E-03
DAV: 30 -0.383483566673E+03 -0.28596E-04 -0.25508E-06 212 0.433E-03 0.204E-03
DAV: 31 -0.383483573469E+03 -0.67969E-05 -0.69829E-07 228 0.280E-03
1 F= -.38348357E+03 E0= -.38349694E+03 d E =0.400935E-01