./iterations/neb0_image03_iter8_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 0.151025658107E+04 0.15103E+04 -0.43527E+04 322 0.697E+02
DAV: 2 0.254326041459E+03 -0.12559E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.357364325480E+03 -0.61169E+03 -0.60757E+03 356 0.118E+02
DAV: 4 -0.433284264828E+03 -0.75920E+02 -0.75593E+02 316 0.519E+01
DAV: 5 -0.435034714630E+03 -0.17504E+01 -0.17477E+01 324 0.806E+00 0.426E+01
DAV: 6 -0.389184646798E+03 0.45850E+02 -0.14941E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385740987738E+03 0.34437E+01 -0.12517E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.384318073455E+03 0.14229E+01 -0.19887E+00 332 0.372E+00 0.422E+00
DAV: 9 -0.383779073519E+03 0.53900E+00 -0.10580E+00 324 0.213E+00 0.119E+00
DAV: 10 -0.383711543700E+03 0.67530E-01 -0.15647E-01 340 0.932E-01 0.837E-01
DAV: 11 -0.383695972653E+03 0.15571E-01 -0.17302E-01 324 0.545E-01 0.644E-01
DAV: 12 -0.383669210259E+03 0.26762E-01 -0.13830E-02 324 0.398E-01 0.442E-01
DAV: 13 -0.383666543150E+03 0.26671E-02 -0.21453E-01 316 0.654E-01 0.109E+00
DAV: 14 -0.383650333314E+03 0.16210E-01 -0.66051E-02 324 0.339E-01 0.343E-01
DAV: 15 -0.383653391551E+03 -0.30582E-02 -0.24265E-02 292 0.312E-01 0.303E-01
DAV: 16 -0.383661239872E+03 -0.78483E-02 -0.16559E-02 332 0.269E-01 0.268E-01
DAV: 17 -0.383668153811E+03 -0.69139E-02 -0.77717E-03 324 0.235E-01 0.244E-01
DAV: 18 -0.383675924283E+03 -0.77705E-02 -0.55637E-03 372 0.244E-01 0.199E-01
DAV: 19 -0.383676854893E+03 -0.93061E-03 -0.26764E-03 332 0.118E-01 0.166E-01
DAV: 20 -0.383678561299E+03 -0.17064E-02 -0.30707E-04 316 0.633E-02 0.137E-01
DAV: 21 -0.383681146721E+03 -0.25854E-02 -0.74355E-04 372 0.112E-01 0.135E-01
DAV: 22 -0.383689459592E+03 -0.83129E-02 -0.25632E-03 348 0.302E-01 0.297E-01
DAV: 23 -0.383689875361E+03 -0.41577E-03 -0.32966E-03 308 0.126E-01 0.176E-01
DAV: 24 -0.383690203369E+03 -0.32801E-03 -0.39922E-03 356 0.116E-01 0.936E-02
DAV: 25 -0.383694099870E+03 -0.38965E-02 -0.62873E-04 292 0.791E-02 0.566E-02
DAV: 26 -0.383696712980E+03 -0.26131E-02 -0.13869E-03 332 0.713E-02 0.580E-02
DAV: 27 -0.383698402296E+03 -0.16893E-02 -0.22345E-04 308 0.408E-02 0.432E-02
DAV: 28 -0.383700469259E+03 -0.20670E-02 -0.32873E-04 332 0.429E-02 0.188E-02
DAV: 29 -0.383701468820E+03 -0.99956E-03 -0.10992E-04 308 0.262E-02 0.203E-02
DAV: 30 -0.383701865530E+03 -0.39671E-03 -0.21553E-05 252 0.133E-02 0.182E-02
DAV: 31 -0.383702105659E+03 -0.24013E-03 -0.22393E-05 228 0.119E-02 0.124E-02
DAV: 32 -0.383702469080E+03 -0.36342E-03 -0.30801E-05 228 0.108E-02 0.755E-03
DAV: 33 -0.383702526050E+03 -0.56970E-04 -0.78302E-06 236 0.725E-03 0.103E-02
DAV: 34 -0.383702606250E+03 -0.80200E-04 -0.43635E-06 212 0.452E-03 0.850E-03
DAV: 35 -0.383702701030E+03 -0.94780E-04 -0.17071E-05 220 0.859E-03 0.263E-03
DAV: 36 -0.383702728002E+03 -0.26972E-04 -0.39158E-06 228 0.396E-03 0.269E-03
DAV: 37 -0.383702733206E+03 -0.52033E-05 -0.68076E-07 244 0.182E-03
1 F= -.38370273E+03 E0= -.38372438E+03 d E =0.649326E-01