./neb0_image09_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 0.151131136115E+04 0.15113E+04 -0.43575E+04 322 0.697E+02
DAV: 2 0.253520165245E+03 -0.12578E+04 -0.11821E+04 428 0.165E+02
DAV: 3 -0.361598724636E+03 -0.61512E+03 -0.61082E+03 364 0.117E+02
DAV: 4 -0.431826495899E+03 -0.70228E+02 -0.69945E+02 316 0.502E+01
DAV: 5 -0.433350552513E+03 -0.15241E+01 -0.15215E+01 332 0.767E+00 0.427E+01
DAV: 6 -0.387347180848E+03 0.46003E+02 -0.14989E+02 308 0.287E+01 0.209E+01
DAV: 7 -0.383817656397E+03 0.35295E+01 -0.12274E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.382396563004E+03 0.14211E+01 -0.22881E+00 332 0.384E+00 0.425E+00
DAV: 9 -0.381839488578E+03 0.55707E+00 -0.71946E-01 324 0.201E+00 0.107E+00
DAV: 10 -0.381781460870E+03 0.58028E-01 -0.14098E-01 356 0.901E-01 0.783E-01
DAV: 11 -0.381761642323E+03 0.19819E-01 -0.71190E-02 340 0.467E-01 0.620E-01
DAV: 12 -0.381742883148E+03 0.18759E-01 -0.82821E-02 324 0.499E-01 0.496E-01
DAV: 13 -0.381730502468E+03 0.12381E-01 -0.31581E-02 308 0.375E-01 0.358E-01
DAV: 14 -0.381733798829E+03 -0.32964E-02 -0.37568E-02 372 0.323E-01 0.373E-01
DAV: 15 -0.381734827879E+03 -0.10291E-02 -0.10688E-02 300 0.257E-01 0.188E-01
DAV: 16 -0.381744325255E+03 -0.94974E-02 -0.13321E-02 308 0.197E-01 0.253E-01
DAV: 17 -0.381751369611E+03 -0.70444E-02 -0.54667E-03 292 0.153E-01 0.102E-01
DAV: 18 -0.381761828937E+03 -0.10459E-01 -0.29598E-03 300 0.125E-01 0.594E-02
DAV: 19 -0.381769418127E+03 -0.75892E-02 -0.92009E-04 332 0.697E-02 0.402E-02
DAV: 20 -0.381776706626E+03 -0.72885E-02 -0.42055E-04 300 0.498E-02 0.355E-02
DAV: 21 -0.381784049528E+03 -0.73429E-02 -0.56215E-04 316 0.443E-02 0.292E-02
DAV: 22 -0.381786450854E+03 -0.24013E-02 -0.18246E-04 316 0.280E-02 0.143E-02
DAV: 23 -0.381787922419E+03 -0.14716E-02 -0.78579E-05 316 0.188E-02 0.854E-03
DAV: 24 -0.381788805811E+03 -0.88339E-03 -0.36302E-05 260 0.115E-02 0.785E-03
DAV: 25 -0.381789367308E+03 -0.56150E-03 -0.35119E-05 276 0.107E-02 0.400E-03
DAV: 26 -0.381789485638E+03 -0.11833E-03 -0.45244E-06 236 0.502E-03 0.345E-03
DAV: 27 -0.381789625262E+03 -0.13962E-03 -0.72483E-06 204 0.594E-03 0.219E-03
DAV: 28 -0.381789686468E+03 -0.61206E-04 -0.21077E-06 228 0.321E-03 0.188E-03
DAV: 29 -0.381789725270E+03 -0.38802E-04 -0.19530E-06 212 0.361E-03 0.988E-04
DAV: 30 -0.381789749629E+03 -0.24360E-04 -0.88867E-07 220 0.193E-03 0.666E-04
DAV: 31 -0.381789761147E+03 -0.11518E-04 -0.47580E-07 220 0.133E-03 0.407E-04
DAV: 32 -0.381789768042E+03 -0.68947E-05 -0.25732E-07 220 0.957E-04
1 F= -.38178977E+03 E0= -.38180679E+03 d E =0.510649E-01