./iterations/neb0_image08_iter58_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 0.210311482738E+04 0.21031E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.142099160502E+03 -0.22452E+04 -0.21548E+04 2176 0.262E+02
DAV: 3 -0.466178885686E+03 -0.32408E+03 -0.32079E+03 1824 0.108E+02
DAV: 4 -0.478935829192E+03 -0.12757E+02 -0.12705E+02 1984 0.227E+01
DAV: 5 -0.479405102426E+03 -0.46927E+00 -0.46905E+00 2128 0.383E+00 0.427E+01
DAV: 6 -0.447591303701E+03 0.31814E+02 -0.14400E+02 1992 0.310E+01 0.271E+01
DAV: 7 -0.448379983592E+03 -0.78868E+00 -0.59327E+01 1864 0.109E+01 0.137E+01
DAV: 8 -0.446886728487E+03 0.14933E+01 -0.86337E+00 2456 0.793E+00 0.100E+01
DAV: 9 -0.446473543405E+03 0.41319E+00 -0.14504E+01 2080 0.448E+00 0.555E+00
DAV: 10 -0.446027308412E+03 0.44623E+00 -0.87974E-01 2168 0.429E+00 0.568E+00
DAV: 11 -0.445824996890E+03 0.20231E+00 -0.35298E+00 1904 0.205E+00 0.374E+00
DAV: 12 -0.445778693737E+03 0.46303E-01 -0.13602E+00 1920 0.109E+00 0.232E+00
DAV: 13 -0.445786833353E+03 -0.81396E-02 -0.67149E-01 1960 0.665E-01 0.236E+00
DAV: 14 -0.445758452266E+03 0.28381E-01 -0.28124E-01 1960 0.571E-01 0.646E-01
DAV: 15 -0.445763524832E+03 -0.50726E-02 -0.12886E-02 1936 0.254E-01 0.414E-01
DAV: 16 -0.445763600808E+03 -0.75976E-04 -0.34425E-03 1904 0.113E-01 0.214E-01
DAV: 17 -0.445765306644E+03 -0.17058E-02 -0.17487E-03 1976 0.921E-02 0.110E-01
DAV: 18 -0.445767771574E+03 -0.24649E-02 -0.37296E-04 1904 0.596E-02 0.752E-02
DAV: 19 -0.445770163703E+03 -0.23921E-02 -0.63014E-04 1944 0.668E-02 0.212E-01
DAV: 20 -0.445771100539E+03 -0.93684E-03 -0.65113E-04 2024 0.658E-02 0.143E-01
DAV: 21 -0.445772412265E+03 -0.13117E-02 -0.31972E-04 1768 0.384E-02 0.720E-02
DAV: 22 -0.445772792937E+03 -0.38067E-03 -0.13640E-04 1872 0.288E-02 0.193E-02
DAV: 23 -0.445773011638E+03 -0.21870E-03 -0.71202E-05 1760 0.225E-02 0.155E-02
DAV: 24 -0.445773151714E+03 -0.14008E-03 -0.35279E-05 1624 0.161E-02 0.120E-02
DAV: 25 -0.445773218843E+03 -0.67129E-04 -0.10975E-05 1096 0.815E-03 0.212E-02
DAV: 26 -0.445773271853E+03 -0.53010E-04 -0.41782E-06 1048 0.577E-03 0.105E-02
DAV: 27 -0.445773313275E+03 -0.41423E-04 -0.29363E-06 1072 0.414E-03 0.448E-03
DAV: 28 -0.445773330595E+03 -0.17320E-04 -0.14251E-06 936 0.300E-03 0.722E-03
DAV: 29 -0.445773338689E+03 -0.80932E-05 -0.78991E-07 968 0.205E-03
1 F= -.44577334E+03 E0= -.44574711E+03 d E =-.786792E-01