./iterations/neb0_image07_iter12_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.163094130494E+04 0.16309E+04 -0.42286E+04 306 0.696E+02
DAV: 2 0.304024839735E+03 -0.13269E+04 -0.12479E+04 420 0.167E+02
DAV: 3 -0.357637965081E+03 -0.66166E+03 -0.65548E+03 364 0.123E+02
DAV: 4 -0.433148457785E+03 -0.75510E+02 -0.75231E+02 308 0.531E+01
DAV: 5 -0.434837690538E+03 -0.16892E+01 -0.16860E+01 332 0.817E+00 0.427E+01
DAV: 6 -0.388807674016E+03 0.46030E+02 -0.14916E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385283522462E+03 0.35242E+01 -0.12387E+01 348 0.780E+00 0.104E+01
DAV: 8 -0.383846785974E+03 0.14367E+01 -0.18539E+00 332 0.376E+00 0.420E+00
DAV: 9 -0.383323778950E+03 0.52301E+00 -0.13164E+00 332 0.221E+00 0.125E+00
DAV: 10 -0.383259626079E+03 0.64153E-01 -0.27431E-01 332 0.101E+00 0.122E+00
DAV: 11 -0.383233020113E+03 0.26606E-01 -0.21047E-01 348 0.567E-01 0.739E-01
DAV: 12 -0.383205685042E+03 0.27335E-01 -0.23084E-02 316 0.449E-01 0.411E-01
DAV: 13 -0.383183950019E+03 0.21735E-01 -0.20352E-02 316 0.508E-01 0.348E-01
DAV: 14 -0.383184416450E+03 -0.46643E-03 -0.60949E-02 348 0.535E-01 0.406E-01
DAV: 15 -0.383184196674E+03 0.21978E-03 -0.22492E-02 292 0.332E-01 0.150E-01
DAV: 16 -0.383195115501E+03 -0.10919E-01 -0.47878E-03 300 0.208E-01 0.108E-01
DAV: 17 -0.383207803535E+03 -0.12688E-01 -0.38273E-03 292 0.218E-01 0.832E-02
DAV: 18 -0.383215448893E+03 -0.76454E-02 -0.23847E-03 316 0.152E-01 0.118E-01
DAV: 19 -0.383220131025E+03 -0.46821E-02 -0.18308E-03 332 0.955E-02 0.478E-02
DAV: 20 -0.383226750434E+03 -0.66194E-02 -0.60547E-04 308 0.814E-02 0.514E-02
DAV: 21 -0.383229707159E+03 -0.29567E-02 -0.53346E-04 388 0.725E-02 0.600E-02
DAV: 22 -0.383230040515E+03 -0.33336E-03 -0.13089E-04 332 0.302E-02 0.547E-02
DAV: 23 -0.383230061826E+03 -0.21310E-04 -0.34737E-06 228 0.479E-03 0.547E-02
DAV: 24 -0.383230071742E+03 -0.99164E-05 -0.10714E-06 220 0.238E-03
1 F= -.38323007E+03 E0= -.38324623E+03 d E =0.484651E-01