iterations/neb0_image05_iter7_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 0.161973115877E+04 0.16197E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.300177774396E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358357793368E+03 -0.65854E+03 -0.65499E+03 364 0.123E+02
DAV: 4 -0.433353194607E+03 -0.74995E+02 -0.74718E+02 308 0.528E+01
DAV: 5 -0.435019029210E+03 -0.16658E+01 -0.16631E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389011588706E+03 0.46007E+02 -0.14969E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385509030541E+03 0.35026E+01 -0.12519E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384076381939E+03 0.14326E+01 -0.24237E+00 332 0.383E+00 0.430E+00
DAV: 9 -0.383531478587E+03 0.54490E+00 -0.93746E-01 324 0.202E+00 0.110E+00
DAV: 10 -0.383462174316E+03 0.69304E-01 -0.18008E-01 340 0.969E-01 0.828E-01
DAV: 11 -0.383440349904E+03 0.21824E-01 -0.55361E-02 316 0.486E-01 0.642E-01
DAV: 12 -0.383426270800E+03 0.14079E-01 -0.21133E-01 308 0.539E-01 0.428E-01
DAV: 13 -0.383419831570E+03 0.64392E-02 -0.17782E-02 316 0.343E-01 0.381E-01
DAV: 14 -0.383420543838E+03 -0.71227E-03 -0.44918E-02 340 0.364E-01 0.419E-01
DAV: 15 -0.383422268703E+03 -0.17249E-02 -0.23626E-02 332 0.279E-01 0.246E-01
DAV: 16 -0.383426538795E+03 -0.42701E-02 -0.32949E-03 340 0.167E-01 0.195E-01
DAV: 17 -0.383434170342E+03 -0.76315E-02 -0.49904E-03 332 0.160E-01 0.207E-01
DAV: 18 -0.383441157291E+03 -0.69869E-02 -0.22741E-03 316 0.130E-01 0.827E-02
DAV: 19 -0.383451961552E+03 -0.10804E-01 -0.15713E-03 308 0.124E-01 0.211E-01
DAV: 20 -0.383455497321E+03 -0.35358E-02 -0.72175E-04 324 0.760E-02 0.649E-02
DAV: 21 -0.383461377917E+03 -0.58806E-02 -0.51085E-04 308 0.463E-02 0.314E-02
DAV: 22 -0.383466148577E+03 -0.47707E-02 -0.28576E-04 316 0.354E-02 0.237E-02
DAV: 23 -0.383468659564E+03 -0.25110E-02 -0.15638E-04 316 0.300E-02 0.141E-02
DAV: 24 -0.383470739193E+03 -0.20796E-02 -0.11931E-04 308 0.237E-02 0.363E-02
DAV: 25 -0.383471627361E+03 -0.88817E-03 -0.50909E-05 284 0.208E-02 0.715E-03
DAV: 26 -0.383472103025E+03 -0.47566E-03 -0.44696E-05 300 0.143E-02 0.211E-02
DAV: 27 -0.383472142608E+03 -0.39583E-04 -0.26444E-06 244 0.615E-03 0.835E-03
DAV: 28 -0.383472340516E+03 -0.19791E-03 -0.12357E-05 212 0.869E-03 0.293E-03
DAV: 29 -0.383472395662E+03 -0.55146E-04 -0.24150E-06 228 0.375E-03 0.234E-03
DAV: 30 -0.383472448342E+03 -0.52680E-04 -0.15811E-06 212 0.304E-03 0.163E-03
DAV: 31 -0.383472481351E+03 -0.33009E-04 -0.13865E-06 220 0.267E-03 0.965E-04
DAV: 32 -0.383472497952E+03 -0.16601E-04 -0.51324E-07 220 0.152E-03 0.131E-03
DAV: 33 -0.383472507393E+03 -0.94416E-05 -0.44411E-07 220 0.137E-03
1 F= -.38347251E+03 E0= -.38348547E+03 d E =0.388743E-01