iterations/neb0_image09_iter27_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 0.145030805700E+04 0.14503E+04 -0.44251E+04 330 0.697E+02
DAV: 2 0.230180027920E+03 -0.12201E+04 -0.11458E+04 426 0.163E+02
DAV: 3 -0.361793694710E+03 -0.59197E+03 -0.58744E+03 354 0.114E+02
DAV: 4 -0.432447982040E+03 -0.70654E+02 -0.70393E+02 309 0.496E+01
DAV: 5 -0.434047252909E+03 -0.15993E+01 -0.15962E+01 318 0.778E+00 0.426E+01
DAV: 6 -0.388394941611E+03 0.45652E+02 -0.14847E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384978090672E+03 0.34169E+01 -0.12572E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383531479864E+03 0.14466E+01 -0.21069E+00 336 0.381E+00 0.431E+00
DAV: 9 -0.382977537183E+03 0.55394E+00 -0.93505E-01 336 0.223E+00 0.105E+00
DAV: 10 -0.382904935696E+03 0.72601E-01 -0.12188E-01 327 0.958E-01 0.939E-01
DAV: 11 -0.382894764689E+03 0.10171E-01 -0.17611E-01 381 0.830E-01 0.105E+00
DAV: 12 -0.382855847516E+03 0.38917E-01 -0.68693E-02 354 0.561E-01 0.467E-01
DAV: 13 -0.382844622227E+03 0.11225E-01 -0.34352E-02 327 0.422E-01 0.397E-01
DAV: 14 -0.382835390116E+03 0.92321E-02 -0.12276E-02 309 0.356E-01 0.298E-01
DAV: 15 -0.382840427800E+03 -0.50377E-02 -0.84381E-03 318 0.312E-01 0.193E-01
DAV: 16 -0.382850249927E+03 -0.98221E-02 -0.56833E-03 300 0.231E-01 0.163E-01
DAV: 17 -0.382857746352E+03 -0.74964E-02 -0.21600E-03 327 0.146E-01 0.107E-01
DAV: 18 -0.382865682324E+03 -0.79360E-02 -0.11165E-03 309 0.106E-01 0.131E-01
DAV: 19 -0.382873579154E+03 -0.78968E-02 -0.79910E-04 291 0.866E-02 0.703E-02
DAV: 20 -0.382878688091E+03 -0.51089E-02 -0.71746E-04 336 0.594E-02 0.461E-02
DAV: 21 -0.382883165859E+03 -0.44778E-02 -0.24673E-04 309 0.363E-02 0.335E-02
DAV: 22 -0.382886391596E+03 -0.32257E-02 -0.15030E-04 309 0.234E-02 0.213E-02
DAV: 23 -0.382888745817E+03 -0.23542E-02 -0.16248E-04 282 0.246E-02 0.161E-02
DAV: 24 -0.382889210338E+03 -0.46452E-03 -0.17029E-05 237 0.105E-02 0.102E-02
DAV: 25 -0.382889843943E+03 -0.63361E-03 -0.25589E-05 228 0.963E-03 0.449E-03
DAV: 26 -0.382890099579E+03 -0.25564E-03 -0.70176E-06 228 0.593E-03 0.308E-03
DAV: 27 -0.382890278976E+03 -0.17940E-03 -0.52844E-06 201 0.466E-03 0.497E-03
DAV: 28 -0.382890362646E+03 -0.83670E-04 -0.35128E-06 210 0.390E-03 0.225E-03
DAV: 29 -0.382890406099E+03 -0.43453E-04 -0.19759E-06 219 0.313E-03 0.248E-03
DAV: 30 -0.382890423655E+03 -0.17556E-04 -0.11166E-06 210 0.271E-03 0.245E-03
DAV: 31 -0.382890441382E+03 -0.17727E-04 -0.94826E-07 201 0.239E-03 0.103E-03
DAV: 32 -0.382890447821E+03 -0.64395E-05 -0.37813E-07 219 0.126E-03
1 F= -.38289045E+03 E0= -.38290728E+03 d E =0.505058E-01