./iterations/neb0_image06_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 0.151352130377E+04 0.15135E+04 -0.43543E+04 322 0.696E+02
DAV: 2 0.253651317705E+03 -0.12599E+04 -0.11812E+04 428 0.164E+02
DAV: 3 -0.359946371507E+03 -0.61360E+03 -0.61025E+03 356 0.118E+02
DAV: 4 -0.433016568713E+03 -0.73070E+02 -0.72811E+02 308 0.520E+01
DAV: 5 -0.434663024662E+03 -0.16465E+01 -0.16434E+01 332 0.798E+00 0.426E+01
DAV: 6 -0.388862271394E+03 0.45801E+02 -0.14844E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385387316415E+03 0.34750E+01 -0.12636E+01 340 0.785E+00 0.104E+01
DAV: 8 -0.383978039889E+03 0.14093E+01 -0.29030E+00 332 0.393E+00 0.427E+00
DAV: 9 -0.383407701939E+03 0.57034E+00 -0.67177E-01 332 0.206E+00 0.964E-01
DAV: 10 -0.383349873215E+03 0.57829E-01 -0.13402E-01 340 0.975E-01 0.694E-01
DAV: 11 -0.383327286187E+03 0.22587E-01 -0.36027E-02 316 0.455E-01 0.508E-01
DAV: 12 -0.383306021609E+03 0.21265E-01 -0.62120E-02 324 0.497E-01 0.511E-01
DAV: 13 -0.383298341053E+03 0.76806E-02 -0.44718E-02 340 0.352E-01 0.216E-01
DAV: 14 -0.383297472059E+03 0.86899E-03 -0.94947E-03 300 0.372E-01 0.153E-01
DAV: 15 -0.383307145732E+03 -0.96737E-02 -0.75604E-03 324 0.273E-01 0.117E-01
DAV: 16 -0.383318076359E+03 -0.10931E-01 -0.28508E-03 292 0.213E-01 0.733E-02
DAV: 17 -0.383329096386E+03 -0.11020E-01 -0.29433E-03 316 0.186E-01 0.603E-02
DAV: 18 -0.383335850784E+03 -0.67544E-02 -0.12642E-03 316 0.102E-01 0.435E-02
DAV: 19 -0.383340105493E+03 -0.42547E-02 -0.22027E-04 308 0.444E-02 0.270E-02
DAV: 20 -0.383346104670E+03 -0.59992E-02 -0.33043E-04 292 0.586E-02 0.177E-02
DAV: 21 -0.383348812870E+03 -0.27082E-02 -0.24934E-04 308 0.439E-02 0.111E-02
DAV: 22 -0.383350277170E+03 -0.14643E-02 -0.98651E-05 308 0.286E-02 0.848E-03
DAV: 23 -0.383350848285E+03 -0.57112E-03 -0.26596E-05 260 0.173E-02 0.579E-03
DAV: 24 -0.383351288353E+03 -0.44007E-03 -0.21535E-05 236 0.143E-02 0.491E-03
DAV: 25 -0.383351424639E+03 -0.13629E-03 -0.90132E-06 228 0.952E-03 0.347E-03
DAV: 26 -0.383351534567E+03 -0.10993E-03 -0.64440E-06 212 0.816E-03 0.276E-03
DAV: 27 -0.383351588598E+03 -0.54031E-04 -0.28331E-06 228 0.525E-03 0.170E-03
DAV: 28 -0.383351641661E+03 -0.53063E-04 -0.35811E-06 212 0.532E-03 0.157E-03
DAV: 29 -0.383351660507E+03 -0.18846E-04 -0.14227E-06 228 0.314E-03 0.110E-03
DAV: 30 -0.383351666639E+03 -0.61326E-05 -0.65414E-07 228 0.212E-03
1 F= -.38335167E+03 E0= -.38336011E+03 d E =0.253220E-01