iterations/neb0_image07_iter9_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 0.210375195159E+04 0.21038E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.136349574498E+03 -0.22401E+04 -0.21509E+04 2152 0.262E+02
DAV: 3 -0.463660725646E+03 -0.32731E+03 -0.32250E+03 1856 0.108E+02
DAV: 4 -0.476640827256E+03 -0.12980E+02 -0.12926E+02 1936 0.229E+01
DAV: 5 -0.477159703721E+03 -0.51888E+00 -0.51855E+00 2104 0.395E+00 0.428E+01
DAV: 6 -0.447921405804E+03 0.29238E+02 -0.14788E+02 2048 0.320E+01 0.272E+01
DAV: 7 -0.445226051838E+03 0.26954E+01 -0.24428E+01 1880 0.117E+01 0.127E+01
DAV: 8 -0.445836066257E+03 -0.61001E+00 -0.13240E+01 2008 0.674E+00 0.100E+01
DAV: 9 -0.445644580064E+03 0.19149E+00 -0.48282E+00 2448 0.708E+00 0.643E+00
DAV: 10 -0.445388775675E+03 0.25580E+00 -0.12640E+00 1816 0.226E+00 0.521E+00
DAV: 11 -0.444751376974E+03 0.63740E+00 -0.57232E-01 2312 0.206E+00 0.311E+00
DAV: 12 -0.444715410978E+03 0.35966E-01 -0.15607E+00 2024 0.174E+00 0.263E+00
DAV: 13 -0.444697959976E+03 0.17451E-01 -0.25189E-01 1904 0.744E-01 0.668E-01
DAV: 14 -0.444699458565E+03 -0.14986E-02 -0.15737E-02 1864 0.252E-01 0.468E-01
DAV: 15 -0.444701985916E+03 -0.25274E-02 -0.14809E-02 1912 0.283E-01 0.188E-01
DAV: 16 -0.444706315432E+03 -0.43295E-02 -0.53095E-03 2280 0.171E-01 0.604E-01
DAV: 17 -0.444704601891E+03 0.17135E-02 -0.11569E-03 1888 0.959E-02 0.405E-01
DAV: 18 -0.444704946128E+03 -0.34424E-03 -0.20112E-03 2088 0.116E-01 0.732E-02
DAV: 19 -0.444707117149E+03 -0.21710E-02 -0.74840E-04 1984 0.718E-02 0.115E-01
DAV: 20 -0.444709650944E+03 -0.25338E-02 -0.47292E-04 1968 0.546E-02 0.119E-01
DAV: 21 -0.444710283516E+03 -0.63257E-03 -0.23777E-04 2072 0.411E-02 0.286E-02
DAV: 22 -0.444710687716E+03 -0.40420E-03 -0.90615E-05 1840 0.252E-02 0.427E-02
DAV: 23 -0.444711492147E+03 -0.80443E-03 -0.87677E-05 1648 0.211E-02 0.384E-02
DAV: 24 -0.444711776125E+03 -0.28398E-03 -0.75732E-05 1704 0.223E-02 0.131E-02
DAV: 25 -0.444711839010E+03 -0.62886E-04 -0.27408E-05 1368 0.139E-02 0.194E-02
DAV: 26 -0.444711868058E+03 -0.29047E-04 -0.46452E-06 944 0.517E-03 0.169E-02
DAV: 27 -0.444711910367E+03 -0.42310E-04 -0.11570E-05 1152 0.949E-03 0.708E-03
DAV: 28 -0.444711926116E+03 -0.15749E-04 -0.34120E-06 944 0.456E-03 0.996E-03
DAV: 29 -0.444711932323E+03 -0.62067E-05 -0.10084E-06 952 0.324E-03
1 F= -.44471193E+03 E0= -.44469908E+03 d E =-.385571E-01