./neb0_image01_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.150951259862E+04 0.15095E+04 -0.43514E+04 322 0.697E+02
DAV: 2 0.252935854589E+03 -0.12566E+04 -0.11788E+04 428 0.164E+02
DAV: 3 -0.355143240870E+03 -0.60808E+03 -0.60421E+03 348 0.118E+02
DAV: 4 -0.433263274137E+03 -0.78120E+02 -0.77795E+02 316 0.535E+01
DAV: 5 -0.435104342767E+03 -0.18411E+01 -0.18380E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389198652385E+03 0.45906E+02 -0.14914E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385739453973E+03 0.34592E+01 -0.12484E+01 340 0.774E+00 0.104E+01
DAV: 8 -0.384313288025E+03 0.14262E+01 -0.18952E+00 332 0.370E+00 0.423E+00
DAV: 9 -0.383783660279E+03 0.52963E+00 -0.12577E+00 340 0.215E+00 0.109E+00
DAV: 10 -0.383725091018E+03 0.58569E-01 -0.10137E-01 340 0.890E-01 0.796E-01
DAV: 11 -0.383687349282E+03 0.37742E-01 -0.89176E-02 324 0.672E-01 0.481E-01
DAV: 12 -0.383671996789E+03 0.15352E-01 -0.53276E-02 332 0.459E-01 0.487E-01
DAV: 13 -0.383666838241E+03 0.51585E-02 -0.35015E-02 348 0.299E-01 0.431E-01
DAV: 14 -0.383664581183E+03 0.22571E-02 -0.14357E-02 308 0.291E-01 0.314E-01
DAV: 15 -0.383666656891E+03 -0.20757E-02 -0.38265E-02 300 0.362E-01 0.337E-01
DAV: 16 -0.383670346625E+03 -0.36897E-02 -0.20152E-02 324 0.199E-01 0.129E-01
DAV: 17 -0.383682944169E+03 -0.12598E-01 -0.28460E-03 284 0.157E-01 0.132E-01
DAV: 18 -0.383694345330E+03 -0.11401E-01 -0.71145E-03 324 0.166E-01 0.173E-01
DAV: 19 -0.383700927210E+03 -0.65819E-02 -0.57446E-03 308 0.135E-01 0.572E-02
DAV: 20 -0.383704534122E+03 -0.36069E-02 -0.66884E-04 324 0.617E-02 0.457E-02
DAV: 21 -0.383708933440E+03 -0.43993E-02 -0.23182E-04 300 0.319E-02 0.219E-02
DAV: 22 -0.383713102850E+03 -0.41694E-02 -0.23244E-04 316 0.290E-02 0.218E-02
DAV: 23 -0.383715482897E+03 -0.23800E-02 -0.16409E-04 292 0.235E-02 0.967E-03
DAV: 24 -0.383716329623E+03 -0.84673E-03 -0.54114E-05 308 0.148E-02 0.136E-02
DAV: 25 -0.383716774414E+03 -0.44479E-03 -0.16071E-05 212 0.994E-03 0.693E-03
DAV: 26 -0.383717088280E+03 -0.31387E-03 -0.34131E-05 268 0.121E-02 0.867E-03
DAV: 27 -0.383717106852E+03 -0.18572E-04 -0.25150E-06 244 0.457E-03 0.631E-03
DAV: 28 -0.383717209279E+03 -0.10243E-03 -0.57187E-06 212 0.659E-03 0.221E-03
DAV: 29 -0.383717267946E+03 -0.58666E-04 -0.36941E-06 228 0.403E-03 0.322E-03
DAV: 30 -0.383717293665E+03 -0.25719E-04 -0.65659E-07 236 0.224E-03 0.227E-03
DAV: 31 -0.383717328908E+03 -0.35243E-04 -0.34727E-06 196 0.535E-03 0.261E-03
DAV: 32 -0.383717331727E+03 -0.28187E-05 -0.64317E-07 236 0.234E-03
1 F= -.38371733E+03 E0= -.38373042E+03 d E =0.392617E-01