iterations/neb0_image07_iter1_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 0.150706551285E+04 0.15071E+04 -0.43558E+04 322 0.697E+02
DAV: 2 0.249460880372E+03 -0.12576E+04 -0.11827E+04 428 0.164E+02
DAV: 3 -0.355570893597E+03 -0.60503E+03 -0.60106E+03 348 0.117E+02
DAV: 4 -0.432725673754E+03 -0.77155E+02 -0.76826E+02 316 0.531E+01
DAV: 5 -0.434535836336E+03 -0.18102E+01 -0.18072E+01 340 0.817E+00 0.426E+01
DAV: 6 -0.388651936399E+03 0.45884E+02 -0.14892E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385150587621E+03 0.35013E+01 -0.12611E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.383737425086E+03 0.14132E+01 -0.22492E+00 332 0.381E+00 0.427E+00
DAV: 9 -0.383174105686E+03 0.56332E+00 -0.74571E-01 324 0.201E+00 0.101E+00
DAV: 10 -0.383115668089E+03 0.58438E-01 -0.10583E-01 340 0.857E-01 0.773E-01
DAV: 11 -0.383106828282E+03 0.88398E-02 -0.22401E-01 332 0.608E-01 0.108E+00
DAV: 12 -0.383085599991E+03 0.21228E-01 -0.29555E-01 332 0.498E-01 0.511E-01
DAV: 13 -0.383080403427E+03 0.51966E-02 -0.45804E-02 324 0.353E-01 0.521E-01
DAV: 14 -0.383070910450E+03 0.94930E-02 -0.48262E-02 324 0.386E-01 0.254E-01
DAV: 15 -0.383075078523E+03 -0.41681E-02 -0.11616E-02 292 0.264E-01 0.158E-01
DAV: 16 -0.383084747577E+03 -0.96691E-02 -0.32703E-03 308 0.170E-01 0.110E-01
DAV: 17 -0.383098852202E+03 -0.14105E-01 -0.31082E-03 292 0.155E-01 0.842E-02
DAV: 18 -0.383108687582E+03 -0.98354E-02 -0.19471E-03 316 0.111E-01 0.828E-02
DAV: 19 -0.383115916327E+03 -0.72287E-02 -0.48574E-04 308 0.529E-02 0.508E-02
DAV: 20 -0.383124201172E+03 -0.82848E-02 -0.78405E-04 308 0.545E-02 0.261E-02
DAV: 21 -0.383126206312E+03 -0.20051E-02 -0.85637E-05 324 0.234E-02 0.342E-02
DAV: 22 -0.383127711414E+03 -0.15051E-02 -0.97214E-05 316 0.210E-02 0.120E-02
DAV: 23 -0.383129389919E+03 -0.16785E-02 -0.82135E-05 292 0.172E-02 0.673E-03
DAV: 24 -0.383130213115E+03 -0.82320E-03 -0.35639E-05 276 0.105E-02 0.478E-03
DAV: 25 -0.383130575858E+03 -0.36274E-03 -0.11277E-05 220 0.653E-03 0.272E-03
DAV: 26 -0.383130806777E+03 -0.23092E-03 -0.11477E-05 236 0.549E-03 0.259E-03
DAV: 27 -0.383130850183E+03 -0.43405E-04 -0.14862E-06 236 0.328E-03 0.204E-03
DAV: 28 -0.383130913380E+03 -0.63197E-04 -0.23683E-06 204 0.306E-03 0.106E-03
DAV: 29 -0.383130933119E+03 -0.19739E-04 -0.78809E-07 220 0.162E-03 0.840E-04
DAV: 30 -0.383130945877E+03 -0.12758E-04 -0.54299E-07 228 0.185E-03 0.576E-04
DAV: 31 -0.383130953003E+03 -0.71268E-05 -0.25585E-07 220 0.103E-03
1 F= -.38313095E+03 E0= -.38314378E+03 d E =0.384913E-01