iterations/neb0_image08_iter6_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 0.151056834852E+04 0.15106E+04 -0.43572E+04 322 0.697E+02
DAV: 2 0.254103617468E+03 -0.12565E+04 -0.11789E+04 420 0.164E+02
DAV: 3 -0.354159272237E+03 -0.60826E+03 -0.60397E+03 348 0.117E+02
DAV: 4 -0.432720679344E+03 -0.78561E+02 -0.78207E+02 316 0.535E+01
DAV: 5 -0.434560972926E+03 -0.18403E+01 -0.18372E+01 340 0.826E+00 0.427E+01
DAV: 6 -0.388478284950E+03 0.46083E+02 -0.14888E+02 316 0.285E+01 0.209E+01
DAV: 7 -0.384932697435E+03 0.35456E+01 -0.12610E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.383513778563E+03 0.14189E+01 -0.26965E+00 332 0.394E+00 0.427E+00
DAV: 9 -0.382952984103E+03 0.56079E+00 -0.60983E-01 324 0.196E+00 0.103E+00
DAV: 10 -0.382909558631E+03 0.43425E-01 -0.38114E-01 332 0.111E+00 0.116E+00
DAV: 11 -0.382886687294E+03 0.22871E-01 -0.18221E-01 316 0.529E-01 0.746E-01
DAV: 12 -0.382877925062E+03 0.87622E-02 -0.57193E-02 316 0.367E-01 0.570E-01
DAV: 13 -0.382863774174E+03 0.14151E-01 -0.10918E-01 316 0.479E-01 0.597E-01
DAV: 14 -0.382855726940E+03 0.80472E-02 -0.51935E-02 324 0.328E-01 0.218E-01
DAV: 15 -0.382857794475E+03 -0.20675E-02 -0.80789E-03 292 0.269E-01 0.187E-01
DAV: 16 -0.382867524675E+03 -0.97302E-02 -0.39951E-03 316 0.185E-01 0.147E-01
DAV: 17 -0.382880724782E+03 -0.13200E-01 -0.29859E-03 300 0.172E-01 0.733E-02
DAV: 18 -0.382889994003E+03 -0.92692E-02 -0.23789E-03 308 0.131E-01 0.779E-02
DAV: 19 -0.382897173136E+03 -0.71791E-02 -0.76647E-04 356 0.651E-02 0.593E-02
DAV: 20 -0.382904201752E+03 -0.70286E-02 -0.42394E-04 300 0.442E-02 0.319E-02
DAV: 21 -0.382908480155E+03 -0.42784E-02 -0.20888E-04 316 0.309E-02 0.211E-02
DAV: 22 -0.382910871998E+03 -0.23918E-02 -0.12450E-04 308 0.239E-02 0.146E-02
DAV: 23 -0.382912733116E+03 -0.18611E-02 -0.75604E-05 300 0.171E-02 0.715E-03
DAV: 24 -0.382913836254E+03 -0.11031E-02 -0.57123E-05 284 0.142E-02 0.688E-03
DAV: 25 -0.382914206399E+03 -0.37015E-03 -0.14603E-05 228 0.837E-03 0.410E-03
DAV: 26 -0.382914456382E+03 -0.24998E-03 -0.13134E-05 228 0.617E-03 0.343E-03
DAV: 27 -0.382914553365E+03 -0.96983E-04 -0.35815E-06 228 0.483E-03 0.228E-03
DAV: 28 -0.382914601060E+03 -0.47695E-04 -0.21066E-06 220 0.350E-03 0.206E-03
DAV: 29 -0.382914638163E+03 -0.37103E-04 -0.11108E-06 220 0.278E-03 0.123E-03
DAV: 30 -0.382914668358E+03 -0.30195E-04 -0.20042E-06 212 0.337E-03 0.177E-03
DAV: 31 -0.382914670789E+03 -0.24314E-05 -0.43181E-07 236 0.189E-03
1 F= -.38291467E+03 E0= -.38292786E+03 d E =0.395767E-01