./iterations/neb0_image07_iter22_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.162983326347E+04 0.16298E+04 -0.42280E+04 306 0.696E+02
DAV: 2 0.303568368518E+03 -0.13263E+04 -0.12482E+04 420 0.167E+02
DAV: 3 -0.355117966790E+03 -0.65869E+03 -0.65179E+03 356 0.123E+02
DAV: 4 -0.432954273103E+03 -0.77836E+02 -0.77553E+02 308 0.545E+01
DAV: 5 -0.434722679123E+03 -0.17684E+01 -0.17652E+01 332 0.839E+00 0.426E+01
DAV: 6 -0.388882992071E+03 0.45840E+02 -0.14800E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385395099815E+03 0.34879E+01 -0.12616E+01 348 0.781E+00 0.104E+01
DAV: 8 -0.383979539507E+03 0.14156E+01 -0.32327E+00 332 0.395E+00 0.429E+00
DAV: 9 -0.383402696285E+03 0.57684E+00 -0.69091E-01 332 0.210E+00 0.978E-01
DAV: 10 -0.383343725090E+03 0.58971E-01 -0.16322E-01 348 0.100E+00 0.786E-01
DAV: 11 -0.383325777846E+03 0.17947E-01 -0.87695E-02 348 0.476E-01 0.580E-01
DAV: 12 -0.383296986038E+03 0.28792E-01 -0.20591E-02 308 0.470E-01 0.292E-01
DAV: 13 -0.383283670180E+03 0.13316E-01 -0.25402E-02 308 0.501E-01 0.252E-01
DAV: 14 -0.383292136484E+03 -0.84663E-02 -0.30717E-02 324 0.470E-01 0.235E-01
DAV: 15 -0.383295989561E+03 -0.38531E-02 -0.51745E-03 308 0.252E-01 0.190E-01
DAV: 16 -0.383305782240E+03 -0.97927E-02 -0.39062E-03 300 0.192E-01 0.898E-02
DAV: 17 -0.383318227012E+03 -0.12445E-01 -0.56123E-03 324 0.201E-01 0.131E-01
DAV: 18 -0.383324612334E+03 -0.63853E-02 -0.27071E-03 332 0.120E-01 0.490E-02
DAV: 19 -0.383328571422E+03 -0.39591E-02 -0.55952E-04 324 0.618E-02 0.348E-02
DAV: 20 -0.383334487047E+03 -0.59156E-02 -0.31945E-04 300 0.407E-02 0.163E-02
DAV: 21 -0.383337923280E+03 -0.34362E-02 -0.21661E-04 316 0.305E-02 0.114E-02
DAV: 22 -0.383339538333E+03 -0.16151E-02 -0.66341E-05 284 0.180E-02 0.716E-03
DAV: 23 -0.383340650353E+03 -0.11120E-02 -0.53123E-05 300 0.144E-02 0.561E-03
DAV: 24 -0.383341036385E+03 -0.38603E-03 -0.11574E-05 236 0.790E-03 0.454E-03
DAV: 25 -0.383341273283E+03 -0.23690E-03 -0.12158E-05 228 0.856E-03 0.262E-03
DAV: 26 -0.383341358921E+03 -0.85639E-04 -0.39019E-06 228 0.511E-03 0.320E-03
DAV: 27 -0.383341434498E+03 -0.75577E-04 -0.37073E-06 212 0.547E-03 0.170E-03
DAV: 28 -0.383341465080E+03 -0.30581E-04 -0.24792E-06 228 0.369E-03 0.167E-03
DAV: 29 -0.383341481311E+03 -0.16231E-04 -0.93785E-07 220 0.253E-03 0.931E-04
DAV: 30 -0.383341487944E+03 -0.66332E-05 -0.57163E-07 228 0.198E-03
1 F= -.38334149E+03 E0= -.38335003E+03 d E =0.256290E-01