./iterations/neb0_image02_iter23_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 0.150989065715E+04 0.15099E+04 -0.43522E+04 322 0.697E+02
DAV: 2 0.254333835050E+03 -0.12556E+04 -0.11786E+04 428 0.164E+02
DAV: 3 -0.354438808251E+03 -0.60877E+03 -0.60470E+03 348 0.118E+02
DAV: 4 -0.433215956321E+03 -0.78777E+02 -0.78450E+02 316 0.536E+01
DAV: 5 -0.435075575291E+03 -0.18596E+01 -0.18565E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389202015184E+03 0.45874E+02 -0.14893E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385755391092E+03 0.34466E+01 -0.12656E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.384354886248E+03 0.14005E+01 -0.33304E+00 332 0.390E+00 0.432E+00
DAV: 9 -0.383781927298E+03 0.57296E+00 -0.69016E-01 324 0.205E+00 0.984E-01
DAV: 10 -0.383726697904E+03 0.55229E-01 -0.19158E-01 348 0.962E-01 0.886E-01
DAV: 11 -0.383710561501E+03 0.16136E-01 -0.12974E-01 340 0.454E-01 0.616E-01
DAV: 12 -0.383684040829E+03 0.26521E-01 -0.20172E-02 308 0.423E-01 0.360E-01
DAV: 13 -0.383668894865E+03 0.15146E-01 -0.29428E-02 308 0.487E-01 0.237E-01
DAV: 14 -0.383676418319E+03 -0.75235E-02 -0.20832E-02 316 0.417E-01 0.184E-01
DAV: 15 -0.383682886551E+03 -0.64682E-02 -0.46660E-03 300 0.216E-01 0.118E-01
DAV: 16 -0.383695122411E+03 -0.12236E-01 -0.30073E-03 284 0.160E-01 0.647E-02
DAV: 17 -0.383705004195E+03 -0.98818E-02 -0.20890E-03 316 0.134E-01 0.453E-02
DAV: 18 -0.383713381301E+03 -0.83771E-02 -0.93327E-04 332 0.923E-02 0.334E-02
DAV: 19 -0.383718463906E+03 -0.50826E-02 -0.26338E-04 308 0.413E-02 0.207E-02
DAV: 20 -0.383722969595E+03 -0.45057E-02 -0.26286E-04 308 0.386E-02 0.129E-02
DAV: 21 -0.383725701265E+03 -0.27317E-02 -0.16675E-04 292 0.294E-02 0.846E-03
DAV: 22 -0.383726729017E+03 -0.10278E-02 -0.63420E-05 308 0.200E-02 0.730E-03
DAV: 23 -0.383727239860E+03 -0.51084E-03 -0.15244E-05 228 0.122E-02 0.381E-03
DAV: 24 -0.383727540109E+03 -0.30025E-03 -0.21140E-05 252 0.121E-02 0.424E-03
DAV: 25 -0.383727626744E+03 -0.86635E-04 -0.42711E-06 236 0.720E-03 0.246E-03
DAV: 26 -0.383727699356E+03 -0.72611E-04 -0.52727E-06 212 0.660E-03 0.256E-03
DAV: 27 -0.383727731944E+03 -0.32588E-04 -0.15270E-06 228 0.347E-03 0.212E-03
DAV: 28 -0.383727767635E+03 -0.35692E-04 -0.23559E-06 204 0.467E-03 0.772E-04
DAV: 29 -0.383727774250E+03 -0.66142E-05 -0.71836E-07 236 0.226E-03
1 F= -.38372777E+03 E0= -.38373624E+03 d E =0.254075E-01