./neb0_image00_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 0.150949170351E+04 0.15095E+04 -0.43508E+04 322 0.697E+02
DAV: 2 0.251511014272E+03 -0.12580E+04 -0.11801E+04 428 0.164E+02
DAV: 3 -0.356065424490E+03 -0.60758E+03 -0.60354E+03 348 0.118E+02
DAV: 4 -0.433297766367E+03 -0.77232E+02 -0.76907E+02 316 0.533E+01
DAV: 5 -0.435125448969E+03 -0.18277E+01 -0.18248E+01 340 0.825E+00 0.426E+01
DAV: 6 -0.389180726681E+03 0.45945E+02 -0.14916E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385727485418E+03 0.34532E+01 -0.12681E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.384320916527E+03 0.14066E+01 -0.30180E+00 332 0.385E+00 0.431E+00
DAV: 9 -0.383751400732E+03 0.56952E+00 -0.67271E-01 316 0.198E+00 0.956E-01
DAV: 10 -0.383693484155E+03 0.57917E-01 -0.11356E-01 348 0.878E-01 0.687E-01
DAV: 11 -0.383667053647E+03 0.26431E-01 -0.29322E-02 324 0.479E-01 0.496E-01
DAV: 12 -0.383658196989E+03 0.88567E-02 -0.33011E-02 372 0.338E-01 0.413E-01
DAV: 13 -0.383644984089E+03 0.13213E-01 -0.30876E-02 324 0.395E-01 0.227E-01
DAV: 14 -0.383646573722E+03 -0.15896E-02 -0.10700E-02 308 0.297E-01 0.153E-01
DAV: 15 -0.383659757550E+03 -0.13184E-01 -0.79080E-03 292 0.286E-01 0.116E-01
DAV: 16 -0.383670136081E+03 -0.10379E-01 -0.43583E-03 324 0.201E-01 0.747E-02
DAV: 17 -0.383677047199E+03 -0.69111E-02 -0.10938E-03 316 0.106E-01 0.912E-02
DAV: 18 -0.383679596390E+03 -0.25492E-02 -0.58476E-04 356 0.730E-02 0.111E-01
DAV: 19 -0.383680753772E+03 -0.11574E-02 -0.69769E-04 316 0.882E-02 0.602E-02
DAV: 20 -0.383685650011E+03 -0.48962E-02 -0.81724E-04 308 0.613E-02 0.387E-02
DAV: 21 -0.383691808716E+03 -0.61587E-02 -0.32974E-04 324 0.440E-02 0.309E-02
DAV: 22 -0.383695363885E+03 -0.35552E-02 -0.20989E-04 316 0.331E-02 0.175E-02
DAV: 23 -0.383699806801E+03 -0.44429E-02 -0.34350E-04 292 0.366E-02 0.103E-02
DAV: 24 -0.383700610461E+03 -0.80366E-03 -0.39965E-05 308 0.141E-02 0.876E-03
DAV: 25 -0.383701252630E+03 -0.64217E-03 -0.21259E-05 236 0.946E-03 0.522E-03
DAV: 26 -0.383701785599E+03 -0.53297E-03 -0.29995E-05 284 0.101E-02 0.408E-03
DAV: 27 -0.383701956569E+03 -0.17097E-03 -0.51889E-06 220 0.584E-03 0.218E-03
DAV: 28 -0.383702043725E+03 -0.87157E-04 -0.29807E-06 228 0.387E-03 0.152E-03
DAV: 29 -0.383702107744E+03 -0.64019E-04 -0.19142E-06 204 0.299E-03 0.117E-03
DAV: 30 -0.383702140411E+03 -0.32667E-04 -0.16325E-06 220 0.289E-03 0.114E-03
DAV: 31 -0.383702151216E+03 -0.10805E-04 -0.59235E-07 228 0.200E-03 0.639E-04
DAV: 32 -0.383702157936E+03 -0.67205E-05 -0.46803E-07 212 0.169E-03
1 F= -.38370216E+03 E0= -.38371250E+03 d E =0.310158E-01