iterations/neb0_image01_iter68_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 0.208836248127E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141267516236E+03 -0.22296E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461753984109E+03 -0.32049E+03 -0.31688E+03 1896 0.107E+02
DAV: 4 -0.475278842328E+03 -0.13525E+02 -0.13303E+02 1944 0.227E+01
DAV: 5 -0.475820989532E+03 -0.54215E+00 -0.54171E+00 2128 0.394E+00 0.435E+01
DAV: 6 -0.459016870598E+03 0.16804E+02 -0.24250E+02 2048 0.321E+01 0.412E+01
DAV: 7 -0.449848191154E+03 0.91687E+01 -0.42262E+01 1756 0.140E+01 0.198E+01
DAV: 8 -0.445406729998E+03 0.44415E+01 -0.83999E+00 1792 0.704E+00 0.112E+01
DAV: 9 -0.446508545788E+03 -0.11018E+01 -0.23732E+01 2104 0.767E+00 0.988E+00
DAV: 10 -0.445987719698E+03 0.52083E+00 -0.14257E+00 1824 0.219E+00 0.885E+00
DAV: 11 -0.444859243398E+03 0.11285E+01 -0.17256E+00 1968 0.237E+00 0.560E+00
DAV: 12 -0.444968065770E+03 -0.10882E+00 -0.69783E+00 2064 0.264E+00 0.138E+01
DAV: 13 -0.444478396590E+03 0.48967E+00 -0.60660E+00 1984 0.239E+00 0.380E+00
DAV: 14 -0.444513140864E+03 -0.34744E-01 -0.13344E-01 1864 0.734E-01 0.337E+00
DAV: 15 -0.444400349555E+03 0.11279E+00 -0.18342E-02 2008 0.463E-01 0.137E+00
DAV: 16 -0.444406653029E+03 -0.63035E-02 -0.10779E-02 1888 0.336E-01 0.982E-01
DAV: 17 -0.444416125022E+03 -0.94720E-02 -0.15869E-01 2080 0.369E-01 0.763E-01
DAV: 18 -0.444421584354E+03 -0.54593E-02 -0.44003E-03 1912 0.166E-01 0.390E-01
DAV: 19 -0.444421378266E+03 0.20609E-03 -0.15648E-03 1888 0.908E-02 0.215E-01
DAV: 20 -0.444422429345E+03 -0.10511E-02 -0.67641E-04 1960 0.691E-02 0.531E-02
DAV: 21 -0.444423566270E+03 -0.11369E-02 -0.25144E-04 1800 0.383E-02 0.612E-02
DAV: 22 -0.444424646296E+03 -0.10800E-02 -0.18561E-04 1888 0.372E-02 0.140E-01
DAV: 23 -0.444424680593E+03 -0.34298E-04 -0.18186E-04 1976 0.402E-02 0.286E-02
DAV: 24 -0.444425081857E+03 -0.40126E-03 -0.50023E-05 1696 0.186E-02 0.231E-02
DAV: 25 -0.444425517481E+03 -0.43562E-03 -0.94419E-05 1864 0.216E-02 0.321E-02
DAV: 26 -0.444425677085E+03 -0.15960E-03 -0.26835E-05 1496 0.170E-02 0.151E-02
DAV: 27 -0.444425763255E+03 -0.86170E-04 -0.23631E-05 1544 0.103E-02 0.126E-02
DAV: 28 -0.444425783185E+03 -0.19930E-04 -0.49399E-06 1008 0.562E-03 0.587E-03
DAV: 29 -0.444425809887E+03 -0.26702E-04 -0.75044E-06 1144 0.762E-03 0.184E-02
DAV: 30 -0.444425818076E+03 -0.81893E-05 -0.26078E-06 952 0.422E-03
1 F= -.44442582E+03 E0= -.44441887E+03 d E =-.208567E-01