./iterations/neb0_image02_iter51_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209708642681E+04 0.20971E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.140911099605E+03 -0.22380E+04 -0.21514E+04 2160 0.262E+02
DAV: 3 -0.462002444379E+03 -0.32109E+03 -0.31742E+03 1896 0.107E+02
DAV: 4 -0.475604918564E+03 -0.13602E+02 -0.13400E+02 1952 0.227E+01
DAV: 5 -0.476110196546E+03 -0.50528E+00 -0.50490E+00 2112 0.386E+00 0.434E+01
DAV: 6 -0.456801433865E+03 0.19309E+02 -0.19530E+02 2040 0.317E+01 0.410E+01
DAV: 7 -0.452249903336E+03 0.45515E+01 -0.42358E+01 1776 0.142E+01 0.220E+01
DAV: 8 -0.445357683957E+03 0.68922E+01 -0.98220E+00 1816 0.812E+00 0.106E+01
DAV: 9 -0.445475258624E+03 -0.11757E+00 -0.11957E+01 1936 0.671E+00 0.912E+00
DAV: 10 -0.444734988199E+03 0.74027E+00 -0.92193E-01 1864 0.235E+00 0.672E+00
DAV: 11 -0.446436838341E+03 -0.17019E+01 -0.22569E+01 2112 0.402E+00 0.138E+01
DAV: 12 -0.444182534800E+03 0.22543E+01 -0.10170E+00 2008 0.335E+00 0.134E+00
DAV: 13 -0.444348889094E+03 -0.16635E+00 -0.21780E-01 1888 0.844E-01 0.556E-01
DAV: 14 -0.444358336937E+03 -0.94478E-02 -0.12609E-02 2160 0.291E-01 0.396E-01
DAV: 15 -0.444364590212E+03 -0.62533E-02 -0.77236E-03 1904 0.251E-01 0.219E-01
DAV: 16 -0.444366219162E+03 -0.16290E-02 -0.24176E-03 1936 0.139E-01 0.124E-01
DAV: 17 -0.444367510545E+03 -0.12914E-02 -0.73586E-04 1976 0.701E-02 0.672E-02
DAV: 18 -0.444368923520E+03 -0.14130E-02 -0.27426E-04 1912 0.394E-02 0.102E-01
DAV: 19 -0.444371175298E+03 -0.22518E-02 -0.45142E-04 1864 0.508E-02 0.840E-02
DAV: 20 -0.444372046530E+03 -0.87123E-03 -0.16246E-04 1896 0.443E-02 0.449E-02
DAV: 21 -0.444372829927E+03 -0.78340E-03 -0.15645E-04 1824 0.296E-02 0.537E-02
DAV: 22 -0.444373416842E+03 -0.58691E-03 -0.75249E-05 1816 0.202E-02 0.234E-02
DAV: 23 -0.444373897189E+03 -0.48035E-03 -0.70490E-05 1656 0.169E-02 0.163E-02
DAV: 24 -0.444374033319E+03 -0.13613E-03 -0.15595E-05 1400 0.115E-02 0.750E-03
DAV: 25 -0.444374083531E+03 -0.50212E-04 -0.26032E-05 1408 0.131E-02 0.679E-03
DAV: 26 -0.444374104871E+03 -0.21341E-04 -0.41465E-06 936 0.796E-03 0.500E-03
DAV: 27 -0.444374133784E+03 -0.28913E-04 -0.81961E-06 1048 0.715E-03 0.399E-03
DAV: 28 -0.444374157062E+03 -0.23279E-04 -0.15732E-06 1064 0.280E-03 0.296E-03
DAV: 29 -0.444374165953E+03 -0.88909E-05 -0.68058E-07 936 0.225E-03
1 F= -.44437417E+03 E0= -.44436794E+03 d E =-.186779E-01