./iterations/neb0_image02_iter2_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 0.150980203421E+04 0.15098E+04 -0.43522E+04 322 0.697E+02
DAV: 2 0.254336523790E+03 -0.12555E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.354408942968E+03 -0.60875E+03 -0.60471E+03 348 0.118E+02
DAV: 4 -0.433211157332E+03 -0.78802E+02 -0.78474E+02 316 0.536E+01
DAV: 5 -0.435071112790E+03 -0.18600E+01 -0.18568E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389201285912E+03 0.45870E+02 -0.14893E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385751502980E+03 0.34498E+01 -0.12620E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.384345730571E+03 0.14058E+01 -0.28941E+00 332 0.386E+00 0.428E+00
DAV: 9 -0.383777803681E+03 0.56793E+00 -0.66246E-01 324 0.199E+00 0.950E-01
DAV: 10 -0.383720411034E+03 0.57393E-01 -0.11827E-01 348 0.898E-01 0.681E-01
DAV: 11 -0.383694047628E+03 0.26363E-01 -0.21721E-02 324 0.456E-01 0.424E-01
DAV: 12 -0.383675977527E+03 0.18070E-01 -0.12742E-02 324 0.397E-01 0.260E-01
DAV: 13 -0.383670777664E+03 0.51999E-02 -0.43344E-02 324 0.439E-01 0.429E-01
DAV: 14 -0.383671020875E+03 -0.24321E-03 -0.24177E-02 324 0.259E-01 0.153E-01
DAV: 15 -0.383681340401E+03 -0.10320E-01 -0.44567E-03 284 0.212E-01 0.163E-01
DAV: 16 -0.383687520484E+03 -0.61801E-02 -0.50144E-03 372 0.223E-01 0.143E-01
DAV: 17 -0.383688543654E+03 -0.10232E-02 -0.16504E-03 324 0.113E-01 0.111E-01
DAV: 18 -0.383694241902E+03 -0.56982E-02 -0.74268E-04 284 0.883E-02 0.838E-02
DAV: 19 -0.383701029809E+03 -0.67879E-02 -0.14372E-03 316 0.125E-01 0.672E-02
DAV: 20 -0.383710418847E+03 -0.93890E-02 -0.12563E-03 332 0.130E-01 0.180E-01
DAV: 21 -0.383712472816E+03 -0.20540E-02 -0.68758E-04 324 0.686E-02 0.110E-01
DAV: 22 -0.383714297290E+03 -0.18245E-02 -0.18721E-04 348 0.458E-02 0.476E-02
DAV: 23 -0.383718350797E+03 -0.40535E-02 -0.33389E-04 308 0.446E-02 0.699E-02
DAV: 24 -0.383720181894E+03 -0.18311E-02 -0.14221E-04 324 0.427E-02 0.193E-02
DAV: 25 -0.383721596524E+03 -0.14146E-02 -0.12736E-04 308 0.349E-02 0.350E-02
DAV: 26 -0.383722098397E+03 -0.50187E-03 -0.69510E-05 348 0.287E-02 0.385E-02
DAV: 27 -0.383722465832E+03 -0.36743E-03 -0.53176E-05 292 0.214E-02 0.491E-02
DAV: 28 -0.383722704337E+03 -0.23850E-03 -0.34515E-05 284 0.241E-02 0.361E-02
DAV: 29 -0.383722732060E+03 -0.27724E-04 -0.26609E-05 316 0.119E-02 0.364E-02
DAV: 30 -0.383722731258E+03 0.80254E-06 -0.90989E-07 228 0.228E-03
1 F= -.38372273E+03 E0= -.38373794E+03 d E =0.456180E-01