./neb0_image06_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 0.162854607724E+04 0.16285E+04 -0.42278E+04 306 0.697E+02
DAV: 2 0.303493866536E+03 -0.13251E+04 -0.12466E+04 420 0.167E+02
DAV: 3 -0.351936996587E+03 -0.65543E+03 -0.64880E+03 356 0.123E+02
DAV: 4 -0.432944353037E+03 -0.81007E+02 -0.80656E+02 308 0.545E+01
DAV: 5 -0.434864204146E+03 -0.19199E+01 -0.19159E+01 332 0.850E+00 0.426E+01
DAV: 6 -0.389073258776E+03 0.45791E+02 -0.14825E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385595270007E+03 0.34780E+01 -0.12613E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384185972236E+03 0.14093E+01 -0.22247E+00 332 0.382E+00 0.429E+00
DAV: 9 -0.383628158786E+03 0.55781E+00 -0.13640E+00 332 0.226E+00 0.110E+00
DAV: 10 -0.383566181683E+03 0.61977E-01 -0.14062E-01 332 0.973E-01 0.796E-01
DAV: 11 -0.383537862312E+03 0.28319E-01 -0.76067E-02 324 0.622E-01 0.606E-01
DAV: 12 -0.383512640625E+03 0.25222E-01 -0.46067E-02 340 0.543E-01 0.407E-01
DAV: 13 -0.383501853490E+03 0.10787E-01 -0.39328E-02 324 0.461E-01 0.392E-01
DAV: 14 -0.383502147797E+03 -0.29431E-03 -0.32354E-02 316 0.349E-01 0.306E-01
DAV: 15 -0.383505008457E+03 -0.28607E-02 -0.30830E-02 292 0.399E-01 0.372E-01
DAV: 16 -0.383509476503E+03 -0.44680E-02 -0.85897E-03 316 0.230E-01 0.136E-01
DAV: 17 -0.383516430589E+03 -0.69541E-02 -0.29255E-03 300 0.188E-01 0.128E-01
DAV: 18 -0.383523700016E+03 -0.72694E-02 -0.29924E-03 364 0.196E-01 0.107E-01
DAV: 19 -0.383527005465E+03 -0.33054E-02 -0.21097E-03 348 0.149E-01 0.973E-02
DAV: 20 -0.383532771487E+03 -0.57660E-02 -0.36724E-03 404 0.195E-01 0.106E-01
DAV: 21 -0.383536019626E+03 -0.32481E-02 -0.13615E-03 300 0.915E-02 0.101E-01
DAV: 22 -0.383537087502E+03 -0.10679E-02 -0.38276E-03 356 0.115E-01 0.870E-02
DAV: 23 -0.383541500515E+03 -0.44130E-02 -0.18947E-03 300 0.986E-02 0.295E-02
DAV: 24 -0.383543027240E+03 -0.15267E-02 -0.23585E-04 332 0.356E-02 0.325E-02
DAV: 25 -0.383544597266E+03 -0.15700E-02 -0.97153E-05 300 0.259E-02 0.165E-02
DAV: 26 -0.383547304145E+03 -0.27069E-02 -0.22407E-04 292 0.351E-02 0.270E-02
DAV: 27 -0.383547850758E+03 -0.54661E-03 -0.16810E-04 316 0.282E-02 0.117E-02
DAV: 28 -0.383548035248E+03 -0.18449E-03 -0.25485E-05 308 0.126E-02 0.109E-02
DAV: 29 -0.383548307583E+03 -0.27234E-03 -0.88782E-06 220 0.117E-02 0.833E-03
DAV: 30 -0.383548631232E+03 -0.32365E-03 -0.46089E-05 268 0.214E-02 0.106E-02
DAV: 31 -0.383548602850E+03 0.28382E-04 -0.14261E-05 236 0.977E-03 0.132E-02
DAV: 32 -0.383548612291E+03 -0.94411E-05 -0.23140E-06 236 0.422E-03
1 F= -.38354861E+03 E0= -.38356769E+03 d E =0.572434E-01