iterations/neb0_image04_iter22_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 0.209200394764E+04 0.20920E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.140536667304E+03 -0.22325E+04 -0.21415E+04 2136 0.262E+02
DAV: 3 -0.465842534452E+03 -0.32531E+03 -0.32190E+03 1864 0.108E+02
DAV: 4 -0.478127362289E+03 -0.12285E+02 -0.12233E+02 1944 0.223E+01
DAV: 5 -0.478595598214E+03 -0.46824E+00 -0.46799E+00 2136 0.381E+00 0.429E+01
DAV: 6 -0.447515888509E+03 0.31080E+02 -0.14652E+02 2048 0.318E+01 0.385E+01
DAV: 7 -0.454119626246E+03 -0.66037E+01 -0.26415E+02 1928 0.140E+01 0.210E+01
DAV: 8 -0.448064987281E+03 0.60546E+01 -0.90367E+00 1816 0.768E+00 0.128E+01
DAV: 9 -0.445616780749E+03 0.24482E+01 -0.22189E+01 2040 0.116E+01 0.945E+00
DAV: 10 -0.444792504503E+03 0.82428E+00 -0.38447E+00 1904 0.355E+00 0.101E+01
DAV: 11 -0.444164701916E+03 0.62780E+00 -0.89784E-01 1928 0.191E+00 0.615E+00
DAV: 12 -0.444550722192E+03 -0.38602E+00 -0.11440E+01 2176 0.370E+00 0.699E+00
DAV: 13 -0.444171992561E+03 0.37873E+00 -0.51685E+00 2096 0.300E+00 0.988E+00
DAV: 14 -0.444059933821E+03 0.11206E+00 -0.23074E-01 1840 0.773E-01 0.995E+00
DAV: 15 -0.444080803704E+03 -0.20870E-01 -0.26695E-02 2104 0.362E-01 0.104E+01
DAV: 16 -0.444036509852E+03 0.44294E-01 -0.38018E-02 1992 0.430E-01 0.941E+00
DAV: 17 -0.444167897202E+03 -0.13139E+00 -0.13416E+00 1880 0.146E+00 0.785E+00
DAV: 18 -0.444123903234E+03 0.43994E-01 -0.17743E+00 1912 0.166E+00 0.602E+00
DAV: 19 -0.444366850071E+03 -0.24295E+00 -0.49481E-01 1824 0.113E+00 0.789E+00
DAV: 20 -0.444302427609E+03 0.64422E-01 -0.30660E-02 1880 0.473E-01 0.764E+00
DAV: 21 -0.444110283440E+03 0.19214E+00 -0.14605E-01 2008 0.105E+00 0.642E+00
DAV: 22 -0.444111910670E+03 -0.16272E-02 -0.88661E-02 1952 0.479E-01 0.616E+00
DAV: 23 -0.444118666305E+03 -0.67556E-02 -0.10685E-02 1888 0.222E-01 0.654E+00
DAV: 24 -0.444085904626E+03 0.32762E-01 -0.31187E-03 1816 0.109E-01 0.638E+00
DAV: 25 -0.443935587077E+03 0.15032E+00 -0.13227E-01 1880 0.665E-01 0.473E+00
DAV: 26 -0.443897233668E+03 0.38353E-01 -0.31864E-02 1928 0.362E-01 0.429E+00
DAV: 27 -0.443895669744E+03 0.15639E-02 -0.19970E-03 1984 0.877E-02 0.423E+00
DAV: 28 -0.443909386701E+03 -0.13717E-01 -0.14648E-03 2152 0.937E-02 0.445E+00
DAV: 29 -0.443913582997E+03 -0.41963E-02 -0.29441E-03 1936 0.147E-01 0.449E+00
DAV: 30 -0.443895433131E+03 0.18150E-01 -0.22780E-03 1904 0.119E-01 0.426E+00
DAV: 31 -0.443784283967E+03 0.11115E+00 -0.32535E-01 1800 0.990E-01 0.183E+00
DAV: 32 -0.443807921371E+03 -0.23637E-01 -0.25850E-02 1968 0.277E-01 0.147E+00
DAV: 33 -0.443816355012E+03 -0.84336E-02 -0.15484E-02 1800 0.224E-01 0.161E+00
DAV: 34 -0.443807482197E+03 0.88728E-02 -0.13383E-02 2000 0.360E-01 0.124E+00
DAV: 35 -0.443805249531E+03 0.22327E-02 -0.32227E-02 1832 0.459E-01 0.758E-01
DAV: 36 -0.443804395822E+03 0.85371E-03 -0.92255E-03 1832 0.243E-01 0.575E-01
DAV: 37 -0.443805655032E+03 -0.12592E-02 -0.49944E-03 1864 0.166E-01 0.457E-01
DAV: 38 -0.443806896986E+03 -0.12420E-02 -0.30011E-03 2024 0.107E-01 0.462E-01
DAV: 39 -0.443805392554E+03 0.15044E-02 -0.34336E-03 1800 0.119E-01 0.373E-01
DAV: 40 -0.443804936002E+03 0.45655E-03 -0.23979E-03 1840 0.876E-02 0.175E-01
DAV: 41 -0.443806084475E+03 -0.11485E-02 -0.58540E-04 1856 0.413E-02 0.915E-02
DAV: 42 -0.443806299742E+03 -0.21527E-03 -0.35769E-04 1784 0.350E-02 0.859E-02
DAV: 43 -0.443806360346E+03 -0.60604E-04 -0.20507E-04 1640 0.165E-02 0.858E-02
DAV: 44 -0.443806410312E+03 -0.49965E-04 -0.21568E-04 1712 0.270E-02 0.770E-02
DAV: 45 -0.443806456543E+03 -0.46231E-04 -0.35520E-05 1376 0.134E-02 0.671E-02
DAV: 46 -0.443806456930E+03 -0.38745E-06 -0.13429E-05 1136 0.873E-03
1 F= -.44380646E+03 E0= -.44378106E+03 d E =-.761781E-01