iterations/neb0_image01_iter60_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 0.144754311654E+04 0.14475E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.223975972019E+03 -0.12236E+04 -0.11465E+04 435 0.163E+02
DAV: 3 -0.363212615497E+03 -0.58719E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433520445128E+03 -0.70308E+02 -0.70036E+02 318 0.508E+01
DAV: 5 -0.435093117664E+03 -0.15727E+01 -0.15702E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389090937252E+03 0.46002E+02 -0.14835E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385619593530E+03 0.34713E+01 -0.13186E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384154554249E+03 0.14650E+01 -0.23129E+00 336 0.383E+00 0.433E+00
DAV: 9 -0.383603918882E+03 0.55064E+00 -0.15274E+00 327 0.235E+00 0.122E+00
DAV: 10 -0.383526577107E+03 0.77342E-01 -0.14887E-01 327 0.106E+00 0.101E+00
DAV: 11 -0.383508994375E+03 0.17583E-01 -0.40884E-01 327 0.936E-01 0.736E-01
DAV: 12 -0.383483949252E+03 0.25045E-01 -0.34886E-02 318 0.491E-01 0.673E-01
DAV: 13 -0.383475707480E+03 0.82418E-02 -0.95697E-02 354 0.517E-01 0.630E-01
DAV: 14 -0.383458233527E+03 0.17474E-01 -0.17380E-02 318 0.421E-01 0.265E-01
DAV: 15 -0.383457809300E+03 0.42423E-03 -0.16953E-02 327 0.393E-01 0.305E-01
DAV: 16 -0.383462140650E+03 -0.43314E-02 -0.69851E-03 354 0.285E-01 0.314E-01
DAV: 17 -0.383466521489E+03 -0.43808E-02 -0.61140E-03 282 0.179E-01 0.188E-01
DAV: 18 -0.383469449082E+03 -0.29276E-02 -0.20778E-03 309 0.106E-01 0.172E-01
DAV: 19 -0.383480096302E+03 -0.10647E-01 -0.31430E-03 300 0.161E-01 0.197E-01
DAV: 20 -0.383486260794E+03 -0.61645E-02 -0.11251E-03 309 0.108E-01 0.108E-01
DAV: 21 -0.383490578093E+03 -0.43173E-02 -0.59604E-04 327 0.662E-02 0.543E-02
DAV: 22 -0.383496536066E+03 -0.59580E-02 -0.39461E-04 309 0.524E-02 0.694E-02
DAV: 23 -0.383502140400E+03 -0.56043E-02 -0.36960E-04 309 0.469E-02 0.276E-02
DAV: 24 -0.383504214537E+03 -0.20741E-02 -0.12158E-04 336 0.291E-02 0.247E-02
DAV: 25 -0.383506183674E+03 -0.19691E-02 -0.71805E-05 309 0.173E-02 0.180E-02
DAV: 26 -0.383508333485E+03 -0.21498E-02 -0.15636E-04 291 0.199E-02 0.255E-02
DAV: 27 -0.383508708493E+03 -0.37501E-03 -0.26580E-05 255 0.997E-03 0.958E-03
DAV: 28 -0.383508929724E+03 -0.22123E-03 -0.15979E-05 237 0.775E-03 0.118E-02
DAV: 29 -0.383509135818E+03 -0.20609E-03 -0.68380E-06 219 0.604E-03 0.102E-02
DAV: 30 -0.383509251349E+03 -0.11553E-03 -0.87814E-06 228 0.610E-03 0.525E-03
DAV: 31 -0.383509286944E+03 -0.35595E-04 -0.26393E-06 228 0.363E-03 0.648E-03
DAV: 32 -0.383509307753E+03 -0.20809E-04 -0.10344E-06 192 0.228E-03 0.431E-03
DAV: 33 -0.383509340480E+03 -0.32726E-04 -0.17039E-06 201 0.291E-03 0.215E-03
DAV: 34 -0.383509346126E+03 -0.56461E-05 -0.45430E-07 228 0.169E-03
1 F= -.38350935E+03 E0= -.38352587E+03 d E =0.495735E-01