iterations/neb0_image02_iter27_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 0.161787804992E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296771546708E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.358000803825E+03 -0.65477E+03 -0.65106E+03 364 0.123E+02
DAV: 4 -0.433480193544E+03 -0.75479E+02 -0.75165E+02 316 0.520E+01
DAV: 5 -0.435192617458E+03 -0.17124E+01 -0.17097E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389126840050E+03 0.46066E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607325812E+03 0.35195E+01 -0.12414E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384153287441E+03 0.14540E+01 -0.22383E+00 332 0.377E+00 0.427E+00
DAV: 9 -0.383592617378E+03 0.56067E+00 -0.75038E-01 324 0.196E+00 0.982E-01
DAV: 10 -0.383534429340E+03 0.58188E-01 -0.10868E-01 348 0.889E-01 0.845E-01
DAV: 11 -0.383526655703E+03 0.77736E-02 -0.31534E-01 348 0.727E-01 0.110E+00
DAV: 12 -0.383499620726E+03 0.27035E-01 -0.18020E-01 316 0.446E-01 0.703E-01
DAV: 13 -0.383495111236E+03 0.45095E-02 -0.58060E-02 356 0.280E-01 0.405E-01
DAV: 14 -0.383484276640E+03 0.10835E-01 -0.21432E-02 300 0.382E-01 0.190E-01
DAV: 15 -0.383488065243E+03 -0.37886E-02 -0.89022E-03 316 0.269E-01 0.252E-01
DAV: 16 -0.383499029072E+03 -0.10964E-01 -0.76364E-03 308 0.203E-01 0.139E-01
DAV: 17 -0.383511567961E+03 -0.12539E-01 -0.42784E-03 284 0.165E-01 0.715E-02
DAV: 18 -0.383520463010E+03 -0.88950E-02 -0.18002E-03 324 0.102E-01 0.110E-01
DAV: 19 -0.383530513576E+03 -0.10051E-01 -0.13633E-03 308 0.737E-02 0.422E-02
DAV: 20 -0.383535784416E+03 -0.52708E-02 -0.35666E-04 316 0.432E-02 0.416E-02
DAV: 21 -0.383538234026E+03 -0.24496E-02 -0.96578E-05 308 0.220E-02 0.235E-02
DAV: 22 -0.383542769432E+03 -0.45354E-02 -0.26699E-04 300 0.284E-02 0.116E-02
DAV: 23 -0.383544221207E+03 -0.14518E-02 -0.66916E-05 292 0.141E-02 0.764E-03
DAV: 24 -0.383545411545E+03 -0.11903E-02 -0.63793E-05 292 0.141E-02 0.620E-03
DAV: 25 -0.383545708683E+03 -0.29714E-03 -0.88703E-06 228 0.610E-03 0.454E-03
DAV: 26 -0.383545919199E+03 -0.21052E-03 -0.86397E-06 212 0.549E-03 0.206E-03
DAV: 27 -0.383545984043E+03 -0.64844E-04 -0.29849E-06 228 0.343E-03 0.185E-03
DAV: 28 -0.383546034078E+03 -0.50035E-04 -0.19179E-06 196 0.280E-03 0.103E-03
DAV: 29 -0.383546069921E+03 -0.35843E-04 -0.19955E-06 212 0.236E-03 0.125E-03
DAV: 30 -0.383546074503E+03 -0.45820E-05 -0.38070E-07 228 0.143E-03
1 F= -.38354607E+03 E0= -.38355934E+03 d E =0.397827E-01