./iterations/neb0_image08_iter3_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145224819662E+04 0.14522E+04 -0.44258E+04 330 0.697E+02
DAV: 2 0.231379260159E+03 -0.12209E+04 -0.11461E+04 426 0.163E+02
DAV: 3 -0.359298900465E+03 -0.59068E+03 -0.58720E+03 345 0.114E+02
DAV: 4 -0.432089420477E+03 -0.72791E+02 -0.72502E+02 309 0.514E+01
DAV: 5 -0.433746030317E+03 -0.16566E+01 -0.16534E+01 318 0.799E+00 0.426E+01
DAV: 6 -0.388104355860E+03 0.45642E+02 -0.14642E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.384642444719E+03 0.34619E+01 -0.13321E+01 345 0.788E+00 0.104E+01
DAV: 8 -0.383187599493E+03 0.14548E+01 -0.19221E+00 327 0.390E+00 0.428E+00
DAV: 9 -0.382648260721E+03 0.53934E+00 -0.67901E-01 336 0.218E+00 0.101E+00
DAV: 10 -0.382589693761E+03 0.58567E-01 -0.11396E-01 336 0.966E-01 0.791E-01
DAV: 11 -0.382568730955E+03 0.20963E-01 -0.73807E-02 336 0.655E-01 0.695E-01
DAV: 12 -0.382550253278E+03 0.18478E-01 -0.54922E-02 336 0.401E-01 0.510E-01
DAV: 13 -0.382543077395E+03 0.71759E-02 -0.76684E-02 372 0.485E-01 0.730E-01
DAV: 14 -0.382531237559E+03 0.11840E-01 -0.13669E-02 327 0.346E-01 0.308E-01
DAV: 15 -0.382532397991E+03 -0.11604E-02 -0.18107E-02 300 0.384E-01 0.306E-01
DAV: 16 -0.382537469845E+03 -0.50719E-02 -0.81650E-03 327 0.259E-01 0.171E-01
DAV: 17 -0.382544840188E+03 -0.73703E-02 -0.16325E-03 282 0.126E-01 0.116E-01
DAV: 18 -0.382557501328E+03 -0.12661E-01 -0.37938E-03 300 0.176E-01 0.146E-01
DAV: 19 -0.382564708957E+03 -0.72076E-02 -0.21136E-03 318 0.137E-01 0.850E-02
DAV: 20 -0.382568998072E+03 -0.42891E-02 -0.10804E-03 327 0.906E-02 0.707E-02
DAV: 21 -0.382571045021E+03 -0.20469E-02 -0.14168E-04 318 0.306E-02 0.513E-02
DAV: 22 -0.382578179496E+03 -0.71345E-02 -0.53415E-04 291 0.420E-02 0.215E-02
DAV: 23 -0.382580444420E+03 -0.22649E-02 -0.97881E-05 327 0.199E-02 0.188E-02
DAV: 24 -0.382582055195E+03 -0.16108E-02 -0.58173E-05 264 0.148E-02 0.145E-02
DAV: 25 -0.382583357671E+03 -0.13025E-02 -0.67962E-05 291 0.147E-02 0.908E-03
DAV: 26 -0.382583640926E+03 -0.28326E-03 -0.65470E-06 228 0.636E-03 0.616E-03
DAV: 27 -0.382583994321E+03 -0.35340E-03 -0.16047E-05 219 0.838E-03 0.385E-03
DAV: 28 -0.382584126827E+03 -0.13251E-03 -0.42124E-06 219 0.506E-03 0.319E-03
DAV: 29 -0.382584189377E+03 -0.62551E-04 -0.18454E-06 237 0.303E-03 0.269E-03
DAV: 30 -0.382584253626E+03 -0.64248E-04 -0.20176E-06 201 0.298E-03 0.144E-03
DAV: 31 -0.382584273545E+03 -0.19919E-04 -0.96853E-07 219 0.239E-03 0.958E-04
DAV: 32 -0.382584285430E+03 -0.11885E-04 -0.51644E-07 219 0.152E-03 0.801E-04
DAV: 33 -0.382584295174E+03 -0.97444E-05 -0.34375E-07 210 0.117E-03
1 F= -.38258430E+03 E0= -.38260160E+03 d E =0.519155E-01