iterations/neb0_image01_iter62_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 0.144726593209E+04 0.14473E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.224001564799E+03 -0.12233E+04 -0.11462E+04 435 0.163E+02
DAV: 3 -0.363150760994E+03 -0.58715E+03 -0.58378E+03 345 0.114E+02
DAV: 4 -0.433513633455E+03 -0.70363E+02 -0.70091E+02 318 0.508E+01
DAV: 5 -0.435086953992E+03 -0.15733E+01 -0.15708E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389099200381E+03 0.45988E+02 -0.14824E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385623760024E+03 0.34754E+01 -0.13298E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152501100E+03 0.14713E+01 -0.22267E+00 336 0.384E+00 0.432E+00
DAV: 9 -0.383605348062E+03 0.54715E+00 -0.15647E+00 345 0.238E+00 0.126E+00
DAV: 10 -0.383527480907E+03 0.77867E-01 -0.14994E-01 318 0.107E+00 0.947E-01
DAV: 11 -0.383503610383E+03 0.23871E-01 -0.17551E-01 336 0.867E-01 0.846E-01
DAV: 12 -0.383482346112E+03 0.21264E-01 -0.16687E-01 336 0.605E-01 0.687E-01
DAV: 13 -0.383477585075E+03 0.47610E-02 -0.83646E-02 345 0.333E-01 0.656E-01
DAV: 14 -0.383463127140E+03 0.14458E-01 -0.94259E-02 318 0.444E-01 0.456E-01
DAV: 15 -0.383458441100E+03 0.46860E-02 -0.12589E-02 318 0.350E-01 0.275E-01
DAV: 16 -0.383467418733E+03 -0.89776E-02 -0.80013E-03 291 0.288E-01 0.143E-01
DAV: 17 -0.383480999204E+03 -0.13580E-01 -0.56204E-03 318 0.219E-01 0.260E-01
DAV: 18 -0.383489565173E+03 -0.85660E-02 -0.34826E-03 327 0.135E-01 0.921E-02
DAV: 19 -0.383494210446E+03 -0.46453E-02 -0.65760E-04 327 0.688E-02 0.667E-02
DAV: 20 -0.383500442860E+03 -0.62324E-02 -0.40767E-04 318 0.540E-02 0.594E-02
DAV: 21 -0.383504981311E+03 -0.45385E-02 -0.31338E-04 390 0.523E-02 0.371E-02
DAV: 22 -0.383506877274E+03 -0.18960E-02 -0.13903E-04 372 0.309E-02 0.294E-02
DAV: 23 -0.383506816259E+03 0.61015E-04 -0.18202E-05 282 0.952E-03 0.310E-02
DAV: 24 -0.383506783673E+03 0.32586E-04 -0.12119E-06 246 0.285E-03 0.310E-02
DAV: 25 -0.383506883759E+03 -0.10009E-03 -0.11292E-04 363 0.333E-02 0.277E-02
DAV: 26 -0.383508412775E+03 -0.15290E-02 -0.22955E-04 345 0.399E-02 0.312E-02
DAV: 27 -0.383509263849E+03 -0.85107E-03 -0.13562E-04 354 0.289E-02 0.388E-02
DAV: 28 -0.383509943817E+03 -0.67997E-03 -0.50520E-05 354 0.283E-02 0.447E-02
DAV: 29 -0.383511714149E+03 -0.17703E-02 -0.37651E-04 390 0.667E-02 0.519E-02
DAV: 30 -0.383512092036E+03 -0.37789E-03 -0.39395E-04 336 0.473E-02 0.619E-02
DAV: 31 -0.383512066523E+03 0.25513E-04 -0.81060E-05 309 0.189E-02 0.720E-02
DAV: 32 -0.383512077579E+03 -0.11057E-04 -0.53933E-05 291 0.221E-02 0.655E-02
DAV: 33 -0.383512374552E+03 -0.29697E-03 -0.18708E-04 354 0.376E-02 0.469E-02
DAV: 34 -0.383512944949E+03 -0.57040E-03 -0.18077E-04 354 0.401E-02 0.286E-02
DAV: 35 -0.383513442430E+03 -0.49748E-03 -0.48802E-04 390 0.773E-02 0.393E-02
DAV: 36 -0.383513524138E+03 -0.81708E-04 -0.41648E-04 327 0.426E-02 0.542E-02
DAV: 37 -0.383513530384E+03 -0.62460E-05 -0.44444E-05 309 0.130E-02
1 F= -.38351353E+03 E0= -.38352855E+03 d E =0.450718E-01