iterations/neb0_image04_iter39_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 0.209001853947E+04 0.20900E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.141015572771E+03 -0.22310E+04 -0.21398E+04 2128 0.262E+02
DAV: 3 -0.465976215241E+03 -0.32496E+03 -0.32148E+03 1864 0.107E+02
DAV: 4 -0.478462640309E+03 -0.12486E+02 -0.12432E+02 1952 0.224E+01
DAV: 5 -0.478923102715E+03 -0.46046E+00 -0.46022E+00 2136 0.377E+00 0.431E+01
DAV: 6 -0.447570652920E+03 0.31352E+02 -0.14650E+02 2056 0.318E+01 0.385E+01
DAV: 7 -0.454582190370E+03 -0.70115E+01 -0.31293E+02 1920 0.137E+01 0.210E+01
DAV: 8 -0.448559111384E+03 0.60231E+01 -0.90274E+00 1792 0.742E+00 0.128E+01
DAV: 9 -0.446017584322E+03 0.25415E+01 -0.21508E+01 2032 0.113E+01 0.920E+00
DAV: 10 -0.445215424627E+03 0.80216E+00 -0.40599E+00 1912 0.355E+00 0.102E+01
DAV: 11 -0.444645499708E+03 0.56992E+00 -0.61426E-01 1944 0.172E+00 0.653E+00
DAV: 12 -0.445122980508E+03 -0.47748E+00 -0.10042E+01 2168 0.395E+00 0.721E+00
DAV: 13 -0.444288694520E+03 0.83429E+00 -0.90259E-01 1992 0.316E+00 0.581E+00
DAV: 14 -0.444169206158E+03 0.11949E+00 -0.52728E-01 1832 0.902E-01 0.329E+00
DAV: 15 -0.444255143996E+03 -0.85938E-01 -0.19779E+00 1952 0.114E+00 0.555E+00
DAV: 16 -0.444094498619E+03 0.16065E+00 -0.37726E-01 1864 0.747E-01 0.234E+00
DAV: 17 -0.444106794149E+03 -0.12296E-01 -0.64385E-02 1952 0.456E-01 0.627E-01
DAV: 18 -0.444138849478E+03 -0.32055E-01 -0.36230E-02 2000 0.354E-01 0.663E-01
DAV: 19 -0.444142366485E+03 -0.35170E-02 -0.96369E-03 1896 0.194E-01 0.256E-01
DAV: 20 -0.444144334703E+03 -0.19682E-02 -0.21271E-03 1928 0.119E-01 0.257E-01
DAV: 21 -0.444147065594E+03 -0.27309E-02 -0.19578E-03 1872 0.102E-01 0.215E-01
DAV: 22 -0.444149771463E+03 -0.27059E-02 -0.12557E-03 1992 0.634E-02 0.801E-02
DAV: 23 -0.444152201930E+03 -0.24305E-02 -0.89526E-04 1896 0.669E-02 0.139E-01
DAV: 24 -0.444153023233E+03 -0.82130E-03 -0.38262E-04 1920 0.316E-02 0.423E-02
DAV: 25 -0.444153542043E+03 -0.51881E-03 -0.12908E-04 1680 0.225E-02 0.760E-02
DAV: 26 -0.444154019057E+03 -0.47701E-03 -0.21466E-04 1760 0.200E-02 0.346E-02
DAV: 27 -0.444154215750E+03 -0.19669E-03 -0.26742E-05 1312 0.105E-02 0.966E-03
DAV: 28 -0.444154319208E+03 -0.10346E-03 -0.84766E-06 1256 0.612E-03 0.113E-02
DAV: 29 -0.444154380167E+03 -0.60959E-04 -0.51975E-06 1104 0.562E-03 0.718E-03
DAV: 30 -0.444154409169E+03 -0.29002E-04 -0.37021E-06 1024 0.457E-03 0.431E-03
DAV: 31 -0.444154420196E+03 -0.11027E-04 -0.12990E-06 936 0.286E-03 0.417E-03
DAV: 32 -0.444154426326E+03 -0.61306E-05 -0.56371E-07 944 0.161E-03
1 F= -.44415443E+03 E0= -.44413395E+03 d E =-.614189E-01