./iterations/neb0_image02_iter16_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 0.144810766759E+04 0.14481E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224479074281E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362862801744E+03 -0.58734E+03 -0.58421E+03 345 0.114E+02
DAV: 4 -0.433466452804E+03 -0.70604E+02 -0.70367E+02 309 0.508E+01
DAV: 5 -0.435050444172E+03 -0.15840E+01 -0.15814E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389086780893E+03 0.45964E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385617441408E+03 0.34693E+01 -0.13353E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384139316608E+03 0.14781E+01 -0.20152E+00 336 0.380E+00 0.429E+00
DAV: 9 -0.383589021587E+03 0.55030E+00 -0.10340E+00 336 0.225E+00 0.116E+00
DAV: 10 -0.383527437554E+03 0.61584E-01 -0.20165E-01 327 0.997E-01 0.114E+00
DAV: 11 -0.383506917764E+03 0.20520E-01 -0.27653E-01 327 0.612E-01 0.919E-01
DAV: 12 -0.383489399528E+03 0.17518E-01 -0.17087E-01 372 0.575E-01 0.106E+00
DAV: 13 -0.383472107950E+03 0.17292E-01 -0.35183E-02 381 0.474E-01 0.626E-01
DAV: 14 -0.383456876431E+03 0.15232E-01 -0.26129E-02 327 0.452E-01 0.343E-01
DAV: 15 -0.383454778792E+03 0.20976E-02 -0.12383E-02 318 0.337E-01 0.190E-01
DAV: 16 -0.383459853155E+03 -0.50744E-02 -0.71398E-03 309 0.210E-01 0.151E-01
DAV: 17 -0.383467128550E+03 -0.72754E-02 -0.26349E-03 282 0.146E-01 0.136E-01
DAV: 18 -0.383480607192E+03 -0.13479E-01 -0.38491E-03 309 0.181E-01 0.773E-02
DAV: 19 -0.383488991840E+03 -0.83846E-02 -0.17406E-03 309 0.125E-01 0.530E-02
DAV: 20 -0.383494952259E+03 -0.59604E-02 -0.54263E-04 336 0.674E-02 0.577E-02
DAV: 21 -0.383499714113E+03 -0.47619E-02 -0.19950E-04 300 0.386E-02 0.297E-02
DAV: 22 -0.383505387112E+03 -0.56730E-02 -0.36461E-04 309 0.354E-02 0.147E-02
DAV: 23 -0.383507131490E+03 -0.17444E-02 -0.50930E-05 300 0.151E-02 0.101E-02
DAV: 24 -0.383509254646E+03 -0.21232E-02 -0.11879E-04 282 0.200E-02 0.739E-03
DAV: 25 -0.383509933247E+03 -0.67860E-03 -0.23817E-05 255 0.945E-03 0.692E-03
DAV: 26 -0.383510320187E+03 -0.38694E-03 -0.22441E-05 246 0.126E-02 0.457E-03
DAV: 27 -0.383510386411E+03 -0.66224E-04 -0.28072E-06 237 0.497E-03 0.384E-03
DAV: 28 -0.383510486733E+03 -0.10032E-03 -0.26163E-06 201 0.445E-03 0.379E-03
DAV: 29 -0.383510587767E+03 -0.10103E-03 -0.35211E-06 210 0.452E-03 0.189E-03
DAV: 30 -0.383510629355E+03 -0.41588E-04 -0.12640E-06 210 0.261E-03 0.160E-03
DAV: 31 -0.383510648964E+03 -0.19610E-04 -0.10741E-06 219 0.314E-03 0.943E-04
DAV: 32 -0.383510659789E+03 -0.10824E-04 -0.56395E-07 210 0.179E-03 0.120E-03
DAV: 33 -0.383510664093E+03 -0.43046E-05 -0.18552E-07 219 0.910E-04
1 F= -.38351066E+03 E0= -.38352727E+03 d E =0.498118E-01