./iterations/neb0_image09_iter22_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145414493557E+04 0.14541E+04 -0.44272E+04 330 0.697E+02
DAV: 2 0.235225139230E+03 -0.12189E+04 -0.11445E+04 417 0.163E+02
DAV: 3 -0.361645373878E+03 -0.59687E+03 -0.59304E+03 354 0.114E+02
DAV: 4 -0.432720738285E+03 -0.71075E+02 -0.70796E+02 318 0.500E+01
DAV: 5 -0.434309256300E+03 -0.15885E+01 -0.15857E+01 318 0.780E+00 0.428E+01
DAV: 6 -0.388415484431E+03 0.45894E+02 -0.14845E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384955931431E+03 0.34596E+01 -0.12871E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383496114074E+03 0.14598E+01 -0.18575E+00 345 0.383E+00 0.431E+00
DAV: 9 -0.382966280927E+03 0.52983E+00 -0.15917E+00 336 0.227E+00 0.113E+00
DAV: 10 -0.382894897482E+03 0.71383E-01 -0.16257E-01 327 0.103E+00 0.853E-01
DAV: 11 -0.382861392085E+03 0.33505E-01 -0.68144E-02 327 0.623E-01 0.655E-01
DAV: 12 -0.382845449763E+03 0.15942E-01 -0.12453E-01 390 0.680E-01 0.944E-01
DAV: 13 -0.382825930490E+03 0.19519E-01 -0.16622E-01 345 0.504E-01 0.413E-01
DAV: 14 -0.382820395238E+03 0.55353E-02 -0.13180E-02 318 0.354E-01 0.326E-01
DAV: 15 -0.382819401390E+03 0.99385E-03 -0.11472E-02 300 0.331E-01 0.222E-01
DAV: 16 -0.382825488901E+03 -0.60875E-02 -0.50219E-03 327 0.232E-01 0.145E-01
DAV: 17 -0.382837202208E+03 -0.11713E-01 -0.34167E-03 300 0.190E-01 0.926E-02
DAV: 18 -0.382845855268E+03 -0.86531E-02 -0.21772E-03 309 0.153E-01 0.840E-02
DAV: 19 -0.382853040618E+03 -0.71853E-02 -0.11884E-03 327 0.106E-01 0.532E-02
DAV: 20 -0.382857297235E+03 -0.42566E-02 -0.28537E-04 372 0.511E-02 0.496E-02
DAV: 21 -0.382859705319E+03 -0.24081E-02 -0.15235E-04 381 0.426E-02 0.497E-02
DAV: 22 -0.382858880387E+03 0.82493E-03 -0.76843E-05 309 0.264E-02 0.442E-02
DAV: 23 -0.382859595951E+03 -0.71556E-03 -0.51590E-05 282 0.156E-02 0.395E-02
DAV: 24 -0.382862481596E+03 -0.28856E-02 -0.20946E-04 372 0.423E-02 0.512E-02
DAV: 25 -0.382866253379E+03 -0.37718E-02 -0.72751E-04 363 0.714E-02 0.461E-02
DAV: 26 -0.382866783587E+03 -0.53021E-03 -0.31648E-04 318 0.381E-02 0.575E-02
DAV: 27 -0.382866817885E+03 -0.34298E-04 -0.21555E-05 282 0.113E-02 0.600E-02
DAV: 28 -0.382866805808E+03 0.12077E-04 -0.46168E-06 237 0.929E-03 0.696E-02
DAV: 29 -0.382869324711E+03 -0.25189E-02 -0.47461E-04 309 0.995E-02 0.313E-02
DAV: 30 -0.382869662298E+03 -0.33759E-03 -0.42275E-04 318 0.396E-02 0.315E-02
DAV: 31 -0.382869667484E+03 -0.51868E-05 -0.35741E-05 300 0.126E-02
1 F= -.38286967E+03 E0= -.38288345E+03 d E =0.413565E-01