iterations/neb0_image01_iter16_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161674692246E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296202668003E+03 -0.13205E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358060509421E+03 -0.65426E+03 -0.65071E+03 364 0.123E+02
DAV: 4 -0.433519585732E+03 -0.75459E+02 -0.75156E+02 308 0.519E+01
DAV: 5 -0.435230638343E+03 -0.17111E+01 -0.17082E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389148285940E+03 0.46082E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385618715618E+03 0.35296E+01 -0.12382E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384161677069E+03 0.14570E+01 -0.23359E+00 332 0.379E+00 0.430E+00
DAV: 9 -0.383603070697E+03 0.55861E+00 -0.10378E+00 324 0.204E+00 0.102E+00
DAV: 10 -0.383544456727E+03 0.58614E-01 -0.10822E-01 348 0.894E-01 0.772E-01
DAV: 11 -0.383505064855E+03 0.39392E-01 -0.76908E-02 332 0.698E-01 0.499E-01
DAV: 12 -0.383494753223E+03 0.10312E-01 -0.27902E-02 340 0.411E-01 0.455E-01
DAV: 13 -0.383490111080E+03 0.46421E-02 -0.47079E-02 308 0.343E-01 0.373E-01
DAV: 14 -0.383487991832E+03 0.21192E-02 -0.25090E-02 300 0.305E-01 0.208E-01
DAV: 15 -0.383493667944E+03 -0.56761E-02 -0.69035E-03 308 0.231E-01 0.133E-01
DAV: 16 -0.383502406125E+03 -0.87382E-02 -0.63902E-03 324 0.183E-01 0.261E-01
DAV: 17 -0.383512239526E+03 -0.98334E-02 -0.45948E-03 284 0.135E-01 0.720E-02
DAV: 18 -0.383521939411E+03 -0.96999E-02 -0.18672E-03 308 0.975E-02 0.472E-02
DAV: 19 -0.383531348736E+03 -0.94093E-02 -0.88496E-04 324 0.646E-02 0.353E-02
DAV: 20 -0.383536723424E+03 -0.53747E-02 -0.29716E-04 308 0.341E-02 0.351E-02
DAV: 21 -0.383541771233E+03 -0.50478E-02 -0.27427E-04 300 0.309E-02 0.182E-02
DAV: 22 -0.383544353377E+03 -0.25821E-02 -0.15073E-04 316 0.221E-02 0.161E-02
DAV: 23 -0.383545475321E+03 -0.11219E-02 -0.50606E-05 284 0.154E-02 0.126E-02
DAV: 24 -0.383546247132E+03 -0.77181E-03 -0.38104E-05 276 0.112E-02 0.776E-03
DAV: 25 -0.383546448945E+03 -0.20181E-03 -0.71290E-06 236 0.697E-03 0.291E-03
DAV: 26 -0.383546621736E+03 -0.17279E-03 -0.72024E-06 212 0.565E-03 0.520E-03
DAV: 27 -0.383546698173E+03 -0.76437E-04 -0.25052E-06 228 0.339E-03 0.119E-03
DAV: 28 -0.383546758045E+03 -0.59872E-04 -0.24569E-06 196 0.308E-03 0.152E-03
DAV: 29 -0.383546777970E+03 -0.19925E-04 -0.97633E-07 220 0.187E-03 0.687E-04
DAV: 30 -0.383546792420E+03 -0.14450E-04 -0.67003E-07 212 0.178E-03 0.741E-04
DAV: 31 -0.383546797130E+03 -0.47098E-05 -0.23271E-07 228 0.106E-03
1 F= -.38354680E+03 E0= -.38355990E+03 d E =0.393155E-01