iterations/neb0_image01_iter11_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 0.161673155438E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296185495122E+03 -0.13205E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358054785144E+03 -0.65424E+03 -0.65068E+03 364 0.123E+02
DAV: 4 -0.433516736106E+03 -0.75462E+02 -0.75159E+02 308 0.519E+01
DAV: 5 -0.435228176468E+03 -0.17114E+01 -0.17086E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389145686386E+03 0.46082E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385620758634E+03 0.35249E+01 -0.12462E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384172398607E+03 0.14484E+01 -0.26115E+00 332 0.386E+00 0.429E+00
DAV: 9 -0.383588304434E+03 0.58409E+00 -0.62456E-01 332 0.195E+00 0.105E+00
DAV: 10 -0.383546744085E+03 0.41560E-01 -0.47401E-01 332 0.115E+00 0.118E+00
DAV: 11 -0.383517016774E+03 0.29727E-01 -0.15880E-01 316 0.558E-01 0.757E-01
DAV: 12 -0.383508694663E+03 0.83221E-02 -0.66352E-02 332 0.369E-01 0.571E-01
DAV: 13 -0.383492616178E+03 0.16078E-01 -0.94530E-02 316 0.476E-01 0.552E-01
DAV: 14 -0.383484693299E+03 0.79229E-02 -0.50267E-02 316 0.339E-01 0.225E-01
DAV: 15 -0.383487096481E+03 -0.24032E-02 -0.88070E-03 308 0.286E-01 0.206E-01
DAV: 16 -0.383496149875E+03 -0.90534E-02 -0.40521E-03 332 0.200E-01 0.136E-01
DAV: 17 -0.383513583785E+03 -0.17434E-01 -0.13102E-02 324 0.258E-01 0.256E-01
DAV: 18 -0.383514136686E+03 -0.55290E-03 -0.40367E-03 324 0.114E-01 0.132E-01
DAV: 19 -0.383518274147E+03 -0.41375E-02 -0.53496E-04 268 0.486E-02 0.972E-02
DAV: 20 -0.383525783472E+03 -0.75093E-02 -0.61943E-04 300 0.554E-02 0.615E-02
DAV: 21 -0.383532880280E+03 -0.70968E-02 -0.53218E-04 308 0.464E-02 0.369E-02
DAV: 22 -0.383538970008E+03 -0.60897E-02 -0.38248E-04 308 0.386E-02 0.262E-02
DAV: 23 -0.383541155580E+03 -0.21856E-02 -0.11270E-04 316 0.203E-02 0.144E-02
DAV: 24 -0.383543088119E+03 -0.19325E-02 -0.90497E-05 292 0.186E-02 0.757E-03
DAV: 25 -0.383543949994E+03 -0.86188E-03 -0.39160E-05 284 0.114E-02 0.846E-03
DAV: 26 -0.383544544134E+03 -0.59414E-03 -0.25333E-05 252 0.101E-02 0.448E-03
DAV: 27 -0.383544742909E+03 -0.19877E-03 -0.77526E-06 228 0.544E-03 0.345E-03
DAV: 28 -0.383544829001E+03 -0.86091E-04 -0.31631E-06 228 0.426E-03 0.179E-03
DAV: 29 -0.383544920148E+03 -0.91148E-04 -0.37165E-06 212 0.379E-03 0.212E-03
DAV: 30 -0.383544944345E+03 -0.24197E-04 -0.11849E-06 228 0.258E-03 0.119E-03
DAV: 31 -0.383544957936E+03 -0.13591E-04 -0.69254E-07 204 0.162E-03 0.787E-04
DAV: 32 -0.383544966115E+03 -0.81795E-05 -0.29543E-07 220 0.115E-03
1 F= -.38354497E+03 E0= -.38356218E+03 d E =0.516316E-01