iterations/neb0_image05_iter11_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 0.161995532318E+04 0.16200E+04 -0.42286E+04 306 0.697E+02
DAV: 2 0.300245546656E+03 -0.13197E+04 -0.12417E+04 420 0.168E+02
DAV: 3 -0.358412522983E+03 -0.65866E+03 -0.65513E+03 364 0.123E+02
DAV: 4 -0.433397323370E+03 -0.74985E+02 -0.74708E+02 308 0.528E+01
DAV: 5 -0.435061484776E+03 -0.16642E+01 -0.16615E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389011667270E+03 0.46050E+02 -0.14971E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385520014364E+03 0.34917E+01 -0.12879E+01 340 0.774E+00 0.104E+01
DAV: 8 -0.384087267251E+03 0.14327E+01 -0.24479E+00 332 0.388E+00 0.429E+00
DAV: 9 -0.383519204525E+03 0.56806E+00 -0.62041E-01 332 0.193E+00 0.980E-01
DAV: 10 -0.383457360792E+03 0.61844E-01 -0.15814E-01 332 0.998E-01 0.728E-01
DAV: 11 -0.383440482273E+03 0.16879E-01 -0.28204E-02 356 0.479E-01 0.622E-01
DAV: 12 -0.383433056459E+03 0.74258E-02 -0.65680E-02 308 0.325E-01 0.474E-01
DAV: 13 -0.383419886456E+03 0.13170E-01 -0.43661E-02 308 0.379E-01 0.391E-01
DAV: 14 -0.383420083198E+03 -0.19674E-03 -0.41453E-02 380 0.255E-01 0.262E-01
DAV: 15 -0.383421829121E+03 -0.17459E-02 -0.17527E-02 292 0.284E-01 0.288E-01
DAV: 16 -0.383434309140E+03 -0.12480E-01 -0.18263E-02 300 0.255E-01 0.289E-01
DAV: 17 -0.383445886254E+03 -0.11577E-01 -0.17006E-02 284 0.223E-01 0.206E-01
DAV: 18 -0.383451469592E+03 -0.55833E-02 -0.30104E-03 316 0.127E-01 0.892E-02
DAV: 19 -0.383458858782E+03 -0.73892E-02 -0.85345E-04 292 0.741E-02 0.972E-02
DAV: 20 -0.383463081135E+03 -0.42224E-02 -0.34093E-04 356 0.443E-02 0.389E-02
DAV: 21 -0.383469594215E+03 -0.65131E-02 -0.50495E-04 308 0.488E-02 0.227E-02
DAV: 22 -0.383472784633E+03 -0.31904E-02 -0.15614E-04 316 0.265E-02 0.233E-02
DAV: 23 -0.383474376068E+03 -0.15914E-02 -0.84047E-05 308 0.205E-02 0.133E-02
DAV: 24 -0.383476166420E+03 -0.17904E-02 -0.87050E-05 300 0.180E-02 0.155E-02
DAV: 25 -0.383476614451E+03 -0.44803E-03 -0.14401E-05 244 0.858E-03 0.718E-03
DAV: 26 -0.383477045724E+03 -0.43127E-03 -0.24882E-05 236 0.934E-03 0.537E-03
DAV: 27 -0.383477169309E+03 -0.12358E-03 -0.43109E-06 228 0.512E-03 0.381E-03
DAV: 28 -0.383477220775E+03 -0.51467E-04 -0.15692E-06 236 0.301E-03 0.308E-03
DAV: 29 -0.383477326895E+03 -0.10612E-03 -0.36009E-06 204 0.397E-03 0.166E-03
DAV: 30 -0.383477351135E+03 -0.24239E-04 -0.15510E-06 228 0.262E-03 0.934E-04
DAV: 31 -0.383477368153E+03 -0.17018E-04 -0.65985E-07 212 0.165E-03 0.632E-04
DAV: 32 -0.383477383172E+03 -0.15019E-04 -0.60515E-07 220 0.163E-03 0.509E-04
DAV: 33 -0.383477390588E+03 -0.74159E-05 -0.38987E-07 228 0.148E-03
1 F= -.38347739E+03 E0= -.38349096E+03 d E =0.406954E-01