./iterations/neb0_image06_iter15_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145141298455E+04 0.14514E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.227819538522E+03 -0.12236E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.365375688520E+03 -0.59320E+03 -0.58989E+03 354 0.114E+02
DAV: 4 -0.433204530444E+03 -0.67829E+02 -0.67575E+02 318 0.490E+01
DAV: 5 -0.434687436660E+03 -0.14829E+01 -0.14805E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388839577605E+03 0.45848E+02 -0.14839E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385399084987E+03 0.34405E+01 -0.13345E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383956555341E+03 0.14425E+01 -0.26069E+00 336 0.394E+00 0.439E+00
DAV: 9 -0.383425852683E+03 0.53070E+00 -0.16762E+00 336 0.243E+00 0.135E+00
DAV: 10 -0.383329967259E+03 0.95885E-01 -0.17391E-01 327 0.117E+00 0.114E+00
DAV: 11 -0.383318154364E+03 0.11813E-01 -0.53171E-01 354 0.106E+00 0.900E-01
DAV: 12 -0.383287046950E+03 0.31107E-01 -0.64308E-02 327 0.545E-01 0.776E-01
DAV: 13 -0.383283630121E+03 0.34168E-02 -0.18349E-02 354 0.445E-01 0.100E+00
DAV: 14 -0.383262845048E+03 0.20785E-01 -0.55223E-02 345 0.518E-01 0.493E-01
DAV: 15 -0.383257342588E+03 0.55025E-02 -0.23237E-02 327 0.370E-01 0.246E-01
DAV: 16 -0.383260359304E+03 -0.30167E-02 -0.98038E-03 300 0.257E-01 0.314E-01
DAV: 17 -0.383263101450E+03 -0.27421E-02 -0.13769E-02 354 0.183E-01 0.232E-01
DAV: 18 -0.383272491066E+03 -0.93896E-02 -0.40435E-03 291 0.194E-01 0.137E-01
DAV: 19 -0.383281315925E+03 -0.88249E-02 -0.28389E-03 309 0.158E-01 0.964E-02
DAV: 20 -0.383289363250E+03 -0.80473E-02 -0.15862E-03 327 0.120E-01 0.724E-02
DAV: 21 -0.383294539562E+03 -0.51763E-02 -0.41483E-04 309 0.532E-02 0.519E-02
DAV: 22 -0.383301603266E+03 -0.70637E-02 -0.46406E-04 291 0.499E-02 0.361E-02
DAV: 23 -0.383303991040E+03 -0.23878E-02 -0.19508E-04 354 0.364E-02 0.246E-02
DAV: 24 -0.383306241177E+03 -0.22501E-02 -0.94502E-05 282 0.207E-02 0.171E-02
DAV: 25 -0.383308138993E+03 -0.18978E-02 -0.11009E-04 309 0.179E-02 0.918E-03
DAV: 26 -0.383309011327E+03 -0.87233E-03 -0.33473E-05 282 0.110E-02 0.122E-02
DAV: 27 -0.383309483491E+03 -0.47216E-03 -0.20413E-05 246 0.961E-03 0.428E-03
DAV: 28 -0.383309619364E+03 -0.13587E-03 -0.40839E-06 237 0.538E-03 0.595E-03
DAV: 29 -0.383309780962E+03 -0.16160E-03 -0.70335E-06 210 0.615E-03 0.384E-03
DAV: 30 -0.383309863621E+03 -0.82660E-04 -0.31578E-06 219 0.384E-03 0.350E-03
DAV: 31 -0.383309900322E+03 -0.36701E-04 -0.14823E-06 219 0.279E-03 0.164E-03
DAV: 32 -0.383309926051E+03 -0.25728E-04 -0.13411E-06 219 0.257E-03 0.170E-03
DAV: 33 -0.383309937810E+03 -0.11760E-04 -0.47573E-07 210 0.163E-03 0.111E-03
DAV: 34 -0.383309944787E+03 -0.69768E-05 -0.50887E-07 228 0.195E-03
1 F= -.38330994E+03 E0= -.38332668E+03 d E =0.501985E-01