iterations/neb0_image06_iter28_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 0.162031854092E+04 0.16203E+04 -0.42282E+04 306 0.697E+02
DAV: 2 0.300861993089E+03 -0.13195E+04 -0.12411E+04 420 0.168E+02
DAV: 3 -0.358020518289E+03 -0.65888E+03 -0.65487E+03 364 0.123E+02
DAV: 4 -0.433213222165E+03 -0.75193E+02 -0.74918E+02 308 0.528E+01
DAV: 5 -0.434900305005E+03 -0.16871E+01 -0.16847E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388924296393E+03 0.45976E+02 -0.15052E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385442871551E+03 0.34814E+01 -0.12572E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.384024815535E+03 0.14181E+01 -0.27366E+00 332 0.392E+00 0.432E+00
DAV: 9 -0.383453063831E+03 0.57175E+00 -0.61043E-01 332 0.196E+00 0.101E+00
DAV: 10 -0.383402305268E+03 0.50759E-01 -0.29358E-01 332 0.107E+00 0.110E+00
DAV: 11 -0.383385704439E+03 0.16601E-01 -0.17455E-01 324 0.495E-01 0.728E-01
DAV: 12 -0.383373440933E+03 0.12264E-01 -0.31971E-02 316 0.343E-01 0.535E-01
DAV: 13 -0.383361823816E+03 0.11617E-01 -0.13094E-01 324 0.495E-01 0.734E-01
DAV: 14 -0.383352666737E+03 0.91571E-02 -0.60048E-02 340 0.298E-01 0.218E-01
DAV: 15 -0.383355161130E+03 -0.24944E-02 -0.72279E-03 300 0.249E-01 0.187E-01
DAV: 16 -0.383366752139E+03 -0.11591E-01 -0.58125E-03 324 0.218E-01 0.165E-01
DAV: 17 -0.383378340928E+03 -0.11589E-01 -0.30316E-03 324 0.181E-01 0.862E-02
DAV: 18 -0.383388214758E+03 -0.98738E-02 -0.22769E-03 308 0.132E-01 0.836E-02
DAV: 19 -0.383394246378E+03 -0.60316E-02 -0.57930E-04 356 0.622E-02 0.638E-02
DAV: 20 -0.383401206410E+03 -0.69600E-02 -0.37175E-04 300 0.421E-02 0.400E-02
DAV: 21 -0.383406022718E+03 -0.48163E-02 -0.25652E-04 316 0.343E-02 0.210E-02
DAV: 22 -0.383408235166E+03 -0.22124E-02 -0.11440E-04 300 0.266E-02 0.159E-02
DAV: 23 -0.383410663131E+03 -0.24280E-02 -0.10261E-04 300 0.204E-02 0.881E-03
DAV: 24 -0.383412022561E+03 -0.13594E-02 -0.81865E-05 292 0.172E-02 0.680E-03
DAV: 25 -0.383412466367E+03 -0.44381E-03 -0.20120E-05 236 0.108E-02 0.471E-03
DAV: 26 -0.383412666195E+03 -0.19983E-03 -0.89859E-06 204 0.664E-03 0.369E-03
DAV: 27 -0.383412778394E+03 -0.11220E-03 -0.47613E-06 228 0.568E-03 0.216E-03
DAV: 28 -0.383412848676E+03 -0.70282E-04 -0.46913E-06 212 0.539E-03 0.265E-03
DAV: 29 -0.383412877970E+03 -0.29294E-04 -0.15119E-06 228 0.387E-03 0.171E-03
DAV: 30 -0.383412903854E+03 -0.25885E-04 -0.28801E-06 212 0.456E-03 0.234E-03
DAV: 31 -0.383412914971E+03 -0.11116E-04 -0.10511E-06 228 0.412E-03 0.898E-04
DAV: 32 -0.383412923707E+03 -0.87357E-05 -0.10700E-06 220 0.252E-03
1 F= -.38341292E+03 E0= -.38342628E+03 d E =0.400749E-01