iterations/neb0_image07_iter17_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 0.150767919650E+04 0.15077E+04 -0.43564E+04 322 0.697E+02
DAV: 2 0.249057776706E+03 -0.12586E+04 -0.11840E+04 428 0.164E+02
DAV: 3 -0.359162647412E+03 -0.60822E+03 -0.60423E+03 356 0.117E+02
DAV: 4 -0.433118724955E+03 -0.73956E+02 -0.73641E+02 316 0.513E+01
DAV: 5 -0.434814523609E+03 -0.16958E+01 -0.16929E+01 332 0.788E+00 0.427E+01
DAV: 6 -0.388793289695E+03 0.46021E+02 -0.14986E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385285027437E+03 0.35083E+01 -0.12650E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.383866454564E+03 0.14186E+01 -0.26347E+00 332 0.391E+00 0.431E+00
DAV: 9 -0.383321333531E+03 0.54512E+00 -0.88724E-01 324 0.203E+00 0.115E+00
DAV: 10 -0.383256853404E+03 0.64480E-01 -0.28489E-01 340 0.101E+00 0.851E-01
DAV: 11 -0.383228761982E+03 0.28091E-01 -0.39476E-02 308 0.501E-01 0.545E-01
DAV: 12 -0.383207923996E+03 0.20838E-01 -0.38384E-02 324 0.502E-01 0.340E-01
DAV: 13 -0.383203282101E+03 0.46419E-02 -0.92480E-03 308 0.318E-01 0.238E-01
DAV: 14 -0.383207840715E+03 -0.45586E-02 -0.94670E-03 316 0.301E-01 0.308E-01
DAV: 15 -0.383211433100E+03 -0.35924E-02 -0.52257E-03 324 0.217E-01 0.235E-01
DAV: 16 -0.383220598921E+03 -0.91658E-02 -0.85418E-03 276 0.154E-01 0.191E-01
DAV: 17 -0.383227958082E+03 -0.73592E-02 -0.65657E-03 332 0.146E-01 0.172E-01
DAV: 18 -0.383237152912E+03 -0.91948E-02 -0.29667E-03 284 0.130E-01 0.499E-02
DAV: 19 -0.383244453835E+03 -0.73009E-02 -0.84218E-04 324 0.696E-02 0.398E-02
DAV: 20 -0.383251644825E+03 -0.71910E-02 -0.36476E-04 300 0.416E-02 0.269E-02
DAV: 21 -0.383257366193E+03 -0.57214E-02 -0.31896E-04 308 0.353E-02 0.129E-02
DAV: 22 -0.383260028331E+03 -0.26621E-02 -0.13956E-04 308 0.225E-02 0.794E-03
DAV: 23 -0.383261352949E+03 -0.13246E-02 -0.65261E-05 292 0.144E-02 0.103E-02
DAV: 24 -0.383261979231E+03 -0.62628E-03 -0.28689E-05 252 0.101E-02 0.376E-03
DAV: 25 -0.383262241248E+03 -0.26202E-03 -0.10768E-05 228 0.612E-03 0.228E-03
DAV: 26 -0.383262343397E+03 -0.10215E-03 -0.35756E-06 228 0.384E-03 0.204E-03
DAV: 27 -0.383262445411E+03 -0.10201E-03 -0.43009E-06 220 0.366E-03 0.151E-03
DAV: 28 -0.383262472682E+03 -0.27271E-04 -0.14497E-06 228 0.243E-03 0.817E-04
DAV: 29 -0.383262489223E+03 -0.16541E-04 -0.10831E-06 220 0.234E-03 0.894E-04
DAV: 30 -0.383262494612E+03 -0.53890E-05 -0.32862E-07 228 0.138E-03
1 F= -.38326249E+03 E0= -.38327555E+03 d E =0.391640E-01