iterations/neb0_image08_iter22_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 0.150773817102E+04 0.15077E+04 -0.43548E+04 322 0.697E+02
DAV: 2 0.251907571279E+03 -0.12558E+04 -0.11789E+04 420 0.164E+02
DAV: 3 -0.357733508115E+03 -0.60964E+03 -0.60485E+03 356 0.117E+02
DAV: 4 -0.432761150843E+03 -0.75028E+02 -0.74686E+02 316 0.516E+01
DAV: 5 -0.434487100257E+03 -0.17259E+01 -0.17229E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388618132594E+03 0.45869E+02 -0.14942E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385108952965E+03 0.35092E+01 -0.12262E+01 332 0.770E+00 0.104E+01
DAV: 8 -0.383694048679E+03 0.14149E+01 -0.23235E+00 332 0.386E+00 0.426E+00
DAV: 9 -0.383146146316E+03 0.54790E+00 -0.70145E-01 332 0.196E+00 0.120E+00
DAV: 10 -0.383105208526E+03 0.40938E-01 -0.54924E-01 348 0.101E+00 0.771E-01
DAV: 11 -0.383079914047E+03 0.25294E-01 -0.32301E-02 316 0.479E-01 0.569E-01
DAV: 12 -0.383058774110E+03 0.21140E-01 -0.91658E-02 356 0.626E-01 0.663E-01
DAV: 13 -0.383051366415E+03 0.74077E-02 -0.54788E-02 332 0.338E-01 0.337E-01
DAV: 14 -0.383051376425E+03 -0.10010E-04 -0.31549E-02 300 0.279E-01 0.439E-01
DAV: 15 -0.383053471486E+03 -0.20951E-02 -0.20104E-02 308 0.240E-01 0.146E-01
DAV: 16 -0.383064057127E+03 -0.10586E-01 -0.65627E-03 308 0.241E-01 0.137E-01
DAV: 17 -0.383074096241E+03 -0.10039E-01 -0.30918E-03 340 0.181E-01 0.271E-01
DAV: 18 -0.383075999936E+03 -0.19037E-02 -0.73540E-04 332 0.950E-02 0.928E-02
DAV: 19 -0.383085382024E+03 -0.93821E-02 -0.12577E-03 276 0.784E-02 0.535E-02
DAV: 20 -0.383092623331E+03 -0.72413E-02 -0.73284E-04 308 0.641E-02 0.548E-02
DAV: 21 -0.383097379495E+03 -0.47562E-02 -0.37471E-04 340 0.506E-02 0.370E-02
DAV: 22 -0.383102317118E+03 -0.49376E-02 -0.28362E-04 308 0.406E-02 0.498E-02
DAV: 23 -0.383104155680E+03 -0.18386E-02 -0.95931E-05 308 0.220E-02 0.345E-02
DAV: 24 -0.383105241477E+03 -0.10858E-02 -0.50760E-05 292 0.171E-02 0.938E-03
DAV: 25 -0.383106124789E+03 -0.88331E-03 -0.49466E-05 284 0.134E-02 0.104E-02
DAV: 26 -0.383106371690E+03 -0.24690E-03 -0.71582E-06 228 0.604E-03 0.691E-03
DAV: 27 -0.383106545230E+03 -0.17354E-03 -0.73223E-06 220 0.463E-03 0.467E-03
DAV: 28 -0.383106625997E+03 -0.80767E-04 -0.26305E-06 220 0.355E-03 0.261E-03
DAV: 29 -0.383106682556E+03 -0.56559E-04 -0.26993E-06 212 0.314E-03 0.172E-03
DAV: 30 -0.383106693865E+03 -0.11309E-04 -0.76976E-07 236 0.208E-03 0.134E-03
DAV: 31 -0.383106712174E+03 -0.18309E-04 -0.90839E-07 212 0.212E-03 0.142E-03
DAV: 32 -0.383106714905E+03 -0.27307E-05 -0.22791E-07 228 0.108E-03
1 F= -.38310671E+03 E0= -.38311996E+03 d E =0.397391E-01