iterations/neb0_image04_iter67_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144860132533E+04 0.14486E+04 -0.44207E+04 330 0.697E+02
DAV: 2 0.227237255991E+03 -0.12214E+04 -0.11450E+04 426 0.163E+02
DAV: 3 -0.365347172574E+03 -0.59258E+03 -0.58923E+03 354 0.114E+02
DAV: 4 -0.433491989625E+03 -0.68145E+02 -0.67900E+02 309 0.494E+01
DAV: 5 -0.435008840459E+03 -0.15169E+01 -0.15144E+01 318 0.760E+00 0.427E+01
DAV: 6 -0.389048642755E+03 0.45960E+02 -0.14873E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385576119011E+03 0.34725E+01 -0.13105E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384097047599E+03 0.14791E+01 -0.18811E+00 327 0.378E+00 0.430E+00
DAV: 9 -0.383562886820E+03 0.53416E+00 -0.15764E+00 336 0.217E+00 0.110E+00
DAV: 10 -0.383494297536E+03 0.68589E-01 -0.11894E-01 327 0.920E-01 0.829E-01
DAV: 11 -0.383455933994E+03 0.38364E-01 -0.11077E-01 327 0.702E-01 0.740E-01
DAV: 12 -0.383444243976E+03 0.11690E-01 -0.13100E-01 381 0.560E-01 0.882E-01
DAV: 13 -0.383430235770E+03 0.14008E-01 -0.13805E-01 372 0.414E-01 0.528E-01
DAV: 14 -0.383427578496E+03 0.26573E-02 -0.90783E-02 345 0.388E-01 0.710E-01
DAV: 15 -0.383421576646E+03 0.60018E-02 -0.35807E-02 318 0.364E-01 0.316E-01
DAV: 16 -0.383428856672E+03 -0.72800E-02 -0.87196E-03 318 0.300E-01 0.131E-01
DAV: 17 -0.383438543129E+03 -0.96865E-02 -0.36562E-03 318 0.178E-01 0.130E-01
DAV: 18 -0.383448787251E+03 -0.10244E-01 -0.13528E-03 309 0.114E-01 0.114E-01
DAV: 19 -0.383457401863E+03 -0.86146E-02 -0.12046E-03 309 0.914E-02 0.655E-02
DAV: 20 -0.383463144986E+03 -0.57431E-02 -0.50424E-04 336 0.612E-02 0.312E-02
DAV: 21 -0.383466746096E+03 -0.36011E-02 -0.15251E-04 309 0.311E-02 0.263E-02
DAV: 22 -0.383470991228E+03 -0.42451E-02 -0.25860E-04 291 0.381E-02 0.215E-02
DAV: 23 -0.383472088323E+03 -0.10971E-02 -0.10204E-04 345 0.235E-02 0.198E-02
DAV: 24 -0.383472268892E+03 -0.18057E-03 -0.13678E-05 273 0.857E-03 0.190E-02
DAV: 25 -0.383472355777E+03 -0.86884E-04 -0.20793E-06 228 0.364E-03 0.203E-02
DAV: 26 -0.383472277387E+03 0.78389E-04 -0.21966E-05 273 0.232E-02 0.256E-02
DAV: 27 -0.383472472560E+03 -0.19517E-03 -0.10911E-04 345 0.292E-02 0.288E-02
DAV: 28 -0.383472567324E+03 -0.94763E-04 -0.57774E-05 327 0.174E-02 0.269E-02
DAV: 29 -0.383472782850E+03 -0.21553E-03 -0.24753E-05 255 0.209E-02 0.266E-02
DAV: 30 -0.383473453454E+03 -0.67060E-03 -0.52447E-04 408 0.785E-02 0.244E-02
DAV: 31 -0.383473594284E+03 -0.14083E-03 -0.20527E-04 336 0.449E-02 0.233E-02
DAV: 32 -0.383474065612E+03 -0.47133E-03 -0.46444E-04 372 0.636E-02 0.206E-02
DAV: 33 -0.383474210255E+03 -0.14464E-03 -0.23611E-04 345 0.358E-02 0.203E-02
DAV: 34 -0.383474241188E+03 -0.30933E-04 -0.99589E-05 444 0.395E-02 0.293E-02
DAV: 35 -0.383474261759E+03 -0.20570E-04 -0.58368E-05 291 0.168E-02 0.312E-02
DAV: 36 -0.383474259640E+03 0.21190E-05 -0.50216E-06 246 0.143E-02
1 F= -.38347426E+03 E0= -.38348953E+03 d E =0.458123E-01