./iterations/neb0_image07_iter30_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 0.162924240759E+04 0.16292E+04 -0.42274E+04 306 0.696E+02
DAV: 2 0.303179519392E+03 -0.13261E+04 -0.12478E+04 420 0.167E+02
DAV: 3 -0.355131728328E+03 -0.65831E+03 -0.65140E+03 356 0.123E+02
DAV: 4 -0.432913442551E+03 -0.77782E+02 -0.77497E+02 308 0.544E+01
DAV: 5 -0.434685038890E+03 -0.17716E+01 -0.17684E+01 324 0.839E+00 0.426E+01
DAV: 6 -0.388924837155E+03 0.45760E+02 -0.14776E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385435038192E+03 0.34898E+01 -0.12489E+01 348 0.782E+00 0.103E+01
DAV: 8 -0.384004922934E+03 0.14301E+01 -0.18820E+00 340 0.376E+00 0.420E+00
DAV: 9 -0.383471326100E+03 0.53360E+00 -0.11865E+00 332 0.221E+00 0.119E+00
DAV: 10 -0.383399442741E+03 0.71883E-01 -0.13594E-01 340 0.991E-01 0.962E-01
DAV: 11 -0.383384122368E+03 0.15320E-01 -0.24797E-01 340 0.614E-01 0.707E-01
DAV: 12 -0.383356550643E+03 0.27572E-01 -0.19284E-02 316 0.419E-01 0.570E-01
DAV: 13 -0.383338231240E+03 0.18319E-01 -0.81116E-02 332 0.597E-01 0.444E-01
DAV: 14 -0.383335260011E+03 0.29712E-02 -0.62019E-02 316 0.464E-01 0.358E-01
DAV: 15 -0.383337878824E+03 -0.26188E-02 -0.16155E-02 316 0.298E-01 0.143E-01
DAV: 16 -0.383344590585E+03 -0.67118E-02 -0.46303E-03 300 0.191E-01 0.145E-01
DAV: 17 -0.383358496607E+03 -0.13906E-01 -0.47899E-03 324 0.216E-01 0.117E-01
DAV: 18 -0.383365987500E+03 -0.74909E-02 -0.27901E-03 316 0.151E-01 0.843E-02
DAV: 19 -0.383374847535E+03 -0.88600E-02 -0.21870E-03 332 0.141E-01 0.612E-02
DAV: 20 -0.383378579699E+03 -0.37322E-02 -0.58820E-04 316 0.677E-02 0.396E-02
DAV: 21 -0.383382796874E+03 -0.42172E-02 -0.32067E-04 316 0.588E-02 0.247E-02
DAV: 22 -0.383385401977E+03 -0.26051E-02 -0.23765E-04 356 0.500E-02 0.251E-02
DAV: 23 -0.383386265790E+03 -0.86381E-03 -0.12817E-04 364 0.344E-02 0.233E-02
DAV: 24 -0.383386305430E+03 -0.39639E-04 -0.11239E-05 252 0.924E-03 0.236E-02
DAV: 25 -0.383386335097E+03 -0.29667E-04 -0.21308E-06 220 0.417E-03 0.245E-02
DAV: 26 -0.383385860408E+03 0.47469E-03 -0.65365E-05 276 0.377E-02 0.303E-02
DAV: 27 -0.383385917599E+03 -0.57191E-04 -0.15672E-04 372 0.395E-02 0.293E-02
DAV: 28 -0.383386442572E+03 -0.52497E-03 -0.22005E-04 356 0.777E-02 0.310E-02
DAV: 29 -0.383386551066E+03 -0.10849E-03 -0.37073E-04 364 0.635E-02 0.342E-02
DAV: 30 -0.383387136313E+03 -0.58525E-03 -0.27136E-04 308 0.736E-02 0.336E-02
DAV: 31 -0.383388009707E+03 -0.87339E-03 -0.57885E-04 356 0.113E-01 0.464E-02
DAV: 32 -0.383388010383E+03 -0.67641E-06 -0.76481E-04 380 0.102E-01 0.554E-02
DAV: 33 -0.383388062293E+03 -0.51910E-04 -0.28017E-04 316 0.386E-02 0.533E-02
DAV: 34 -0.383388152350E+03 -0.90056E-04 -0.13481E-05 212 0.103E-02 0.474E-02
DAV: 35 -0.383388343228E+03 -0.19088E-03 -0.10551E-04 324 0.351E-02 0.465E-02
DAV: 36 -0.383388355125E+03 -0.11896E-04 -0.29296E-05 308 0.137E-02 0.511E-02
DAV: 37 -0.383388347748E+03 0.73765E-05 -0.17487E-06 204 0.464E-03
1 F= -.38338835E+03 E0= -.38340465E+03 d E =0.489022E-01