./neb0_image03_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 0.151046020187E+04 0.15105E+04 -0.43528E+04 322 0.697E+02
DAV: 2 0.254403990451E+03 -0.12561E+04 -0.11785E+04 428 0.164E+02
DAV: 3 -0.354517866084E+03 -0.60892E+03 -0.60478E+03 348 0.118E+02
DAV: 4 -0.433154167389E+03 -0.78636E+02 -0.78312E+02 308 0.536E+01
DAV: 5 -0.435018013512E+03 -0.18638E+01 -0.18605E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389194389879E+03 0.45824E+02 -0.14858E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385741259419E+03 0.34531E+01 -0.12552E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.384322632339E+03 0.14186E+01 -0.20342E+00 332 0.372E+00 0.420E+00
DAV: 9 -0.383769386430E+03 0.55325E+00 -0.80811E-01 324 0.200E+00 0.119E+00
DAV: 10 -0.383726735252E+03 0.42651E-01 -0.33445E-01 372 0.927E-01 0.877E-01
DAV: 11 -0.383691577111E+03 0.35158E-01 -0.31343E-02 316 0.500E-01 0.583E-01
DAV: 12 -0.383682870480E+03 0.87066E-02 -0.12646E-01 340 0.437E-01 0.608E-01
DAV: 13 -0.383662554902E+03 0.20316E-01 -0.28239E-02 308 0.417E-01 0.406E-01
DAV: 14 -0.383660500163E+03 0.20547E-02 -0.39189E-02 316 0.403E-01 0.345E-01
DAV: 15 -0.383665577523E+03 -0.50774E-02 -0.28877E-02 332 0.338E-01 0.291E-01
DAV: 16 -0.383671953533E+03 -0.63760E-02 -0.87009E-03 316 0.260E-01 0.183E-01
DAV: 17 -0.383682593987E+03 -0.10640E-01 -0.53371E-03 316 0.224E-01 0.910E-02
DAV: 18 -0.383691136139E+03 -0.85422E-02 -0.25336E-03 332 0.188E-01 0.779E-02
DAV: 19 -0.383694533451E+03 -0.33973E-02 -0.13544E-03 316 0.101E-01 0.726E-02
DAV: 20 -0.383697869359E+03 -0.33359E-02 -0.37937E-04 316 0.730E-02 0.641E-02
DAV: 21 -0.383699825895E+03 -0.19565E-02 -0.30786E-04 364 0.623E-02 0.575E-02
DAV: 22 -0.383700309839E+03 -0.48394E-03 -0.14769E-04 324 0.347E-02 0.589E-02
DAV: 23 -0.383700219606E+03 0.90233E-04 -0.16665E-05 244 0.125E-02 0.604E-02
DAV: 24 -0.383700668437E+03 -0.44883E-03 -0.68706E-04 348 0.143E-01 0.874E-02
DAV: 25 -0.383700619194E+03 0.49243E-04 -0.16839E-03 380 0.157E-01 0.832E-02
DAV: 26 -0.383700742542E+03 -0.12335E-03 -0.86928E-04 332 0.722E-02 0.737E-02
DAV: 27 -0.383701149567E+03 -0.40703E-03 -0.54651E-05 292 0.240E-02 0.725E-02
DAV: 28 -0.383701890558E+03 -0.74099E-03 -0.66218E-04 388 0.164E-01 0.784E-02
DAV: 29 -0.383701790202E+03 0.10036E-03 -0.93583E-04 340 0.825E-02 0.786E-02
DAV: 30 -0.383702268090E+03 -0.47789E-03 -0.39206E-04 332 0.122E-01 0.661E-02
DAV: 31 -0.383707134686E+03 -0.48666E-02 -0.26346E-03 356 0.329E-01 0.803E-02
DAV: 32 -0.383712008498E+03 -0.48738E-02 -0.82281E-03 380 0.411E-01 0.167E-01
DAV: 33 -0.383712031476E+03 -0.22978E-04 -0.44313E-03 308 0.226E-01 0.122E-01
DAV: 34 -0.383711189058E+03 0.84242E-03 -0.21170E-03 412 0.208E-01 0.756E-02
DAV: 35 -0.383710379988E+03 0.80907E-03 -0.47542E-03 404 0.412E-01 0.934E-02
DAV: 36 -0.383710044714E+03 0.33527E-03 -0.67395E-03 348 0.260E-01 0.105E-01
DAV: 37 -0.383709908195E+03 0.13652E-03 -0.21474E-03 340 0.126E-01 0.908E-02
DAV: 38 -0.383709762350E+03 0.14584E-03 -0.14154E-04 316 0.341E-02 0.834E-02
DAV: 39 -0.383709766457E+03 -0.41069E-05 -0.24988E-05 308 0.115E-02
1 F= -.38370977E+03 E0= -.38373172E+03 d E =0.658717E-01