iterations/neb0_image05_iter16_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 0.145061155269E+04 0.14506E+04 -0.44213E+04 330 0.697E+02
DAV: 2 0.232655232478E+03 -0.12180E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.361033850832E+03 -0.59369E+03 -0.59046E+03 345 0.114E+02
DAV: 4 -0.433166801428E+03 -0.72133E+02 -0.71890E+02 309 0.516E+01
DAV: 5 -0.434814251550E+03 -0.16475E+01 -0.16446E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388954702383E+03 0.45860E+02 -0.14711E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385502132481E+03 0.34526E+01 -0.13456E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.384051283235E+03 0.14508E+01 -0.23476E+00 336 0.389E+00 0.435E+00
DAV: 9 -0.383506040161E+03 0.54524E+00 -0.12281E+00 327 0.231E+00 0.142E+00
DAV: 10 -0.383444514843E+03 0.61525E-01 -0.41156E-01 327 0.130E+00 0.127E+00
DAV: 11 -0.383410343133E+03 0.34172E-01 -0.31608E-01 363 0.784E-01 0.881E-01
DAV: 12 -0.383397195545E+03 0.13148E-01 -0.42787E-02 327 0.559E-01 0.974E-01
DAV: 13 -0.383377673761E+03 0.19522E-01 -0.47177E-02 345 0.516E-01 0.682E-01
DAV: 14 -0.383363372057E+03 0.14302E-01 -0.87592E-02 345 0.490E-01 0.489E-01
DAV: 15 -0.383364078576E+03 -0.70652E-03 -0.28444E-02 318 0.419E-01 0.755E-01
DAV: 16 -0.383359579314E+03 0.44993E-02 -0.10787E-02 363 0.327E-01 0.262E-01
DAV: 17 -0.383366146191E+03 -0.65669E-02 -0.14532E-02 291 0.229E-01 0.186E-01
DAV: 18 -0.383377670954E+03 -0.11525E-01 -0.87372E-03 300 0.186E-01 0.211E-01
DAV: 19 -0.383386132038E+03 -0.84611E-02 -0.48510E-03 318 0.195E-01 0.117E-01
DAV: 20 -0.383390933937E+03 -0.48019E-02 -0.11777E-03 327 0.954E-02 0.102E-01
DAV: 21 -0.383397871363E+03 -0.69374E-02 -0.41563E-04 318 0.509E-02 0.109E-01
DAV: 22 -0.383403458932E+03 -0.55876E-02 -0.47884E-04 327 0.536E-02 0.487E-02
DAV: 23 -0.383406641828E+03 -0.31829E-02 -0.31483E-04 309 0.419E-02 0.268E-02
DAV: 24 -0.383409195260E+03 -0.25534E-02 -0.14017E-04 318 0.240E-02 0.358E-02
DAV: 25 -0.383410463777E+03 -0.12685E-02 -0.47629E-05 282 0.132E-02 0.248E-02
DAV: 26 -0.383411467922E+03 -0.10041E-02 -0.52168E-05 291 0.158E-02 0.706E-03
DAV: 27 -0.383411827357E+03 -0.35943E-03 -0.12204E-05 219 0.839E-03 0.737E-03
DAV: 28 -0.383411973681E+03 -0.14632E-03 -0.79011E-06 237 0.602E-03 0.639E-03
DAV: 29 -0.383412160579E+03 -0.18690E-03 -0.68880E-06 192 0.599E-03 0.621E-03
DAV: 30 -0.383412202667E+03 -0.42089E-04 -0.24361E-06 228 0.333E-03 0.420E-03
DAV: 31 -0.383412233559E+03 -0.30891E-04 -0.10902E-06 228 0.217E-03 0.293E-03
DAV: 32 -0.383412266329E+03 -0.32771E-04 -0.10695E-06 219 0.238E-03 0.112E-03
DAV: 33 -0.383412284961E+03 -0.18632E-04 -0.75975E-07 219 0.180E-03 0.769E-04
DAV: 34 -0.383412293769E+03 -0.88080E-05 -0.34744E-07 228 0.119E-03
1 F= -.38341229E+03 E0= -.38342895E+03 d E =0.499811E-01