iterations/neb0_image06_iter13_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 0.209555895954E+04 0.20956E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.137255270326E+03 -0.22328E+04 -0.21428E+04 2136 0.262E+02
DAV: 3 -0.462598324979E+03 -0.32534E+03 -0.32051E+03 1944 0.107E+02
DAV: 4 -0.475452189064E+03 -0.12854E+02 -0.12812E+02 1944 0.226E+01
DAV: 5 -0.475895063245E+03 -0.44287E+00 -0.44262E+00 2088 0.372E+00 0.429E+01
DAV: 6 -0.449109164878E+03 0.26786E+02 -0.15194E+02 2048 0.328E+01 0.309E+01
DAV: 7 -0.447691685770E+03 0.14175E+01 -0.93607E+01 1960 0.157E+01 0.175E+01
DAV: 8 -0.445403073784E+03 0.22886E+01 -0.12745E+01 2176 0.120E+01 0.999E+00
DAV: 9 -0.444865323934E+03 0.53775E+00 -0.57366E+00 1816 0.556E+00 0.710E+00
DAV: 10 -0.444407059531E+03 0.45826E+00 -0.14431E+00 1952 0.338E+00 0.305E+00
DAV: 11 -0.444575472038E+03 -0.16841E+00 -0.26634E+00 2040 0.235E+00 0.664E+00
DAV: 12 -0.444334572145E+03 0.24090E+00 -0.27321E+00 2104 0.186E+00 0.169E+00
DAV: 13 -0.444371539419E+03 -0.36967E-01 -0.12068E-01 1896 0.743E-01 0.107E+00
DAV: 14 -0.444380033899E+03 -0.84945E-02 -0.14324E-02 2048 0.359E-01 0.135E+00
DAV: 15 -0.444365508811E+03 0.14525E-01 -0.11787E-01 2208 0.513E-01 0.344E-01
DAV: 16 -0.444369390027E+03 -0.38812E-02 -0.82541E-03 1920 0.191E-01 0.292E-01
DAV: 17 -0.444369931785E+03 -0.54176E-03 -0.46570E-03 1992 0.148E-01 0.563E-02
DAV: 18 -0.444371785502E+03 -0.18537E-02 -0.22477E-03 2000 0.809E-02 0.161E-01
DAV: 19 -0.444372704819E+03 -0.91932E-03 -0.14304E-03 2096 0.580E-02 0.344E-02
DAV: 20 -0.444374821785E+03 -0.21170E-02 -0.90517E-04 1832 0.574E-02 0.874E-02
DAV: 21 -0.444375548047E+03 -0.72626E-03 -0.27346E-04 1936 0.313E-02 0.453E-02
DAV: 22 -0.444375983965E+03 -0.43592E-03 -0.40662E-04 1824 0.355E-02 0.374E-02
DAV: 23 -0.444376082220E+03 -0.98255E-04 -0.48257E-05 1392 0.126E-02 0.184E-02
DAV: 24 -0.444376575832E+03 -0.49361E-03 -0.10849E-04 1624 0.193E-02 0.130E-02
DAV: 25 -0.444376658040E+03 -0.82208E-04 -0.24763E-05 1456 0.994E-03 0.165E-02
DAV: 26 -0.444376685192E+03 -0.27152E-04 -0.76057E-06 992 0.550E-03 0.875E-03
DAV: 27 -0.444376706840E+03 -0.21648E-04 -0.84788E-06 1072 0.642E-03 0.281E-03
DAV: 28 -0.444376722028E+03 -0.15188E-04 -0.34524E-06 968 0.506E-03 0.248E-03
DAV: 29 -0.444376732112E+03 -0.10084E-04 -0.21335E-06 976 0.291E-03 0.300E-03
DAV: 30 -0.444376738700E+03 -0.65880E-05 -0.87198E-07 944 0.271E-03
1 F= -.44437674E+03 E0= -.44436908E+03 d E =-.229870E-01