iterations/neb0_image06_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 0.162047807358E+04 0.16205E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.301367775257E+03 -0.13191E+04 -0.12410E+04 420 0.168E+02
DAV: 3 -0.357658187187E+03 -0.65903E+03 -0.65430E+03 364 0.123E+02
DAV: 4 -0.433114376774E+03 -0.75456E+02 -0.75180E+02 308 0.529E+01
DAV: 5 -0.434811185180E+03 -0.16968E+01 -0.16944E+01 348 0.812E+00 0.427E+01
DAV: 6 -0.388870683545E+03 0.45941E+02 -0.15053E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385395826201E+03 0.34749E+01 -0.12531E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.383965051752E+03 0.14308E+01 -0.22417E+00 332 0.380E+00 0.427E+00
DAV: 9 -0.383399898820E+03 0.56515E+00 -0.78323E-01 324 0.204E+00 0.101E+00
DAV: 10 -0.383344091744E+03 0.55807E-01 -0.11531E-01 340 0.856E-01 0.812E-01
DAV: 11 -0.383332069243E+03 0.12023E-01 -0.18632E-01 348 0.574E-01 0.981E-01
DAV: 12 -0.383312041830E+03 0.20027E-01 -0.26580E-01 340 0.475E-01 0.496E-01
DAV: 13 -0.383298149193E+03 0.13893E-01 -0.60484E-02 324 0.455E-01 0.406E-01
DAV: 14 -0.383296867305E+03 0.12819E-02 -0.30803E-02 332 0.306E-01 0.229E-01
DAV: 15 -0.383301449984E+03 -0.45827E-02 -0.54473E-03 300 0.243E-01 0.166E-01
DAV: 16 -0.383312908281E+03 -0.11458E-01 -0.55045E-03 300 0.191E-01 0.117E-01
DAV: 17 -0.383324530168E+03 -0.11622E-01 -0.40695E-03 292 0.153E-01 0.616E-02
DAV: 18 -0.383334417535E+03 -0.98874E-02 -0.14184E-03 316 0.893E-02 0.516E-02
DAV: 19 -0.383340921424E+03 -0.65039E-02 -0.26563E-04 308 0.391E-02 0.572E-02
DAV: 20 -0.383349576379E+03 -0.86550E-02 -0.71354E-04 308 0.556E-02 0.250E-02
DAV: 21 -0.383352345986E+03 -0.27696E-02 -0.17441E-04 308 0.291E-02 0.278E-02
DAV: 22 -0.383353535166E+03 -0.11892E-02 -0.54686E-05 308 0.176E-02 0.133E-02
DAV: 23 -0.383355329420E+03 -0.17943E-02 -0.90599E-05 292 0.175E-02 0.564E-03
DAV: 24 -0.383356027045E+03 -0.69762E-03 -0.29945E-05 268 0.967E-03 0.629E-03
DAV: 25 -0.383356382624E+03 -0.35558E-03 -0.11786E-05 204 0.797E-03 0.384E-03
DAV: 26 -0.383356519884E+03 -0.13726E-03 -0.82997E-06 228 0.556E-03 0.268E-03
DAV: 27 -0.383356558147E+03 -0.38263E-04 -0.16200E-06 244 0.310E-03 0.166E-03
DAV: 28 -0.383356629976E+03 -0.71828E-04 -0.31733E-06 212 0.377E-03 0.158E-03
DAV: 29 -0.383356652715E+03 -0.22740E-04 -0.99920E-07 220 0.226E-03 0.105E-03
DAV: 30 -0.383356665727E+03 -0.13012E-04 -0.87266E-07 228 0.229E-03 0.105E-03
DAV: 31 -0.383356674445E+03 -0.87183E-05 -0.37189E-07 212 0.179E-03
1 F= -.38335667E+03 E0= -.38336950E+03 d E =0.384832E-01