./iterations/neb0_image05_iter26_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 0.151220631816E+04 0.15122E+04 -0.43539E+04 322 0.697E+02
DAV: 2 0.253326171932E+03 -0.12589E+04 -0.11816E+04 428 0.164E+02
DAV: 3 -0.354584870993E+03 -0.60791E+03 -0.60420E+03 348 0.118E+02
DAV: 4 -0.433028344960E+03 -0.78443E+02 -0.78109E+02 308 0.535E+01
DAV: 5 -0.434893927255E+03 -0.18656E+01 -0.18621E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389114155685E+03 0.45780E+02 -0.14822E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385642197854E+03 0.34720E+01 -0.12577E+01 340 0.781E+00 0.104E+01
DAV: 8 -0.384231830479E+03 0.14104E+01 -0.23675E+00 332 0.380E+00 0.422E+00
DAV: 9 -0.383658247408E+03 0.57358E+00 -0.64252E-01 332 0.199E+00 0.906E-01
DAV: 10 -0.383608528004E+03 0.49719E-01 -0.10931E-01 340 0.886E-01 0.728E-01
DAV: 11 -0.383591224113E+03 0.17304E-01 -0.70744E-02 380 0.492E-01 0.656E-01
DAV: 12 -0.383567594386E+03 0.23630E-01 -0.39189E-02 364 0.471E-01 0.492E-01
DAV: 13 -0.383561446280E+03 0.61481E-02 -0.51143E-02 332 0.327E-01 0.303E-01
DAV: 14 -0.383555392101E+03 0.60542E-02 -0.14100E-02 316 0.396E-01 0.183E-01
DAV: 15 -0.383562668629E+03 -0.72765E-02 -0.10008E-02 324 0.278E-01 0.180E-01
DAV: 16 -0.383572772239E+03 -0.10104E-01 -0.39166E-03 284 0.213E-01 0.118E-01
DAV: 17 -0.383584117026E+03 -0.11345E-01 -0.37840E-03 316 0.204E-01 0.543E-02
DAV: 18 -0.383592687041E+03 -0.85700E-02 -0.17893E-03 316 0.127E-01 0.533E-02
DAV: 19 -0.383598639372E+03 -0.59523E-02 -0.45721E-04 324 0.539E-02 0.437E-02
DAV: 20 -0.383605175852E+03 -0.65365E-02 -0.38492E-04 300 0.446E-02 0.181E-02
DAV: 21 -0.383608415220E+03 -0.32394E-02 -0.19315E-04 324 0.323E-02 0.155E-02
DAV: 22 -0.383610402337E+03 -0.19871E-02 -0.11328E-04 284 0.258E-02 0.131E-02
DAV: 23 -0.383611395905E+03 -0.99357E-03 -0.42575E-05 292 0.166E-02 0.643E-03
DAV: 24 -0.383611966884E+03 -0.57098E-03 -0.25226E-05 252 0.138E-02 0.438E-03
DAV: 25 -0.383612310517E+03 -0.34363E-03 -0.16080E-05 228 0.127E-02 0.335E-03
DAV: 26 -0.383612433299E+03 -0.12278E-03 -0.10915E-05 244 0.103E-02 0.306E-03
DAV: 27 -0.383612492159E+03 -0.58859E-04 -0.42705E-06 220 0.730E-03 0.238E-03
DAV: 28 -0.383612538415E+03 -0.46257E-04 -0.42588E-06 220 0.852E-03 0.229E-03
DAV: 29 -0.383612553998E+03 -0.15583E-04 -0.56194E-06 228 0.747E-03 0.232E-03
DAV: 30 -0.383612562498E+03 -0.84990E-05 -0.25055E-06 220 0.689E-03
1 F= -.38361256E+03 E0= -.38362756E+03 d E =0.449943E-01