iterations/neb0_image09_iter30_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 0.209785395892E+04 0.20979E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142592404280E+03 -0.22404E+04 -0.21508E+04 2160 0.262E+02
DAV: 3 -0.466456335006E+03 -0.32386E+03 -0.32051E+03 1840 0.108E+02
DAV: 4 -0.479217554531E+03 -0.12761E+02 -0.12713E+02 1968 0.227E+01
DAV: 5 -0.479675517734E+03 -0.45796E+00 -0.45774E+00 2128 0.379E+00 0.428E+01
DAV: 6 -0.447145093688E+03 0.32530E+02 -0.14267E+02 2016 0.310E+01 0.271E+01
DAV: 7 -0.448988336288E+03 -0.18432E+01 -0.73346E+01 1904 0.111E+01 0.136E+01
DAV: 8 -0.446290354892E+03 0.26980E+01 -0.80009E+00 2440 0.797E+00 0.892E+00
DAV: 9 -0.446860860647E+03 -0.57051E+00 -0.16932E+01 1944 0.407E+00 0.505E+00
DAV: 10 -0.445959848771E+03 0.90101E+00 -0.71516E-01 2184 0.398E+00 0.278E+00
DAV: 11 -0.446040240139E+03 -0.80391E-01 -0.17048E+00 1904 0.154E+00 0.355E+00
DAV: 12 -0.446010037138E+03 0.30203E-01 -0.20634E+00 2048 0.119E+00 0.351E+00
DAV: 13 -0.446042374886E+03 -0.32338E-01 -0.20129E+00 2240 0.103E+00 0.382E+00
DAV: 14 -0.445936484896E+03 0.10589E+00 -0.30982E-01 1968 0.690E-01 0.477E-01
DAV: 15 -0.445944404649E+03 -0.79198E-02 -0.26886E-02 1952 0.297E-01 0.283E-01
DAV: 16 -0.445946260206E+03 -0.18556E-02 -0.34723E-03 1880 0.141E-01 0.194E-01
DAV: 17 -0.445948450180E+03 -0.21900E-02 -0.15592E-03 1992 0.907E-02 0.297E-01
DAV: 18 -0.445950468340E+03 -0.20182E-02 -0.27182E-03 2024 0.779E-02 0.252E-01
DAV: 19 -0.445952982709E+03 -0.25144E-02 -0.24443E-03 2056 0.109E-01 0.234E-01
DAV: 20 -0.445954712418E+03 -0.17297E-02 -0.10876E-03 1848 0.577E-02 0.729E-02
DAV: 21 -0.445955793509E+03 -0.10811E-02 -0.37355E-04 1808 0.397E-02 0.405E-02
DAV: 22 -0.445956337532E+03 -0.54402E-03 -0.29049E-04 1928 0.348E-02 0.101E-01
DAV: 23 -0.445956488680E+03 -0.15115E-03 -0.74596E-05 1632 0.184E-02 0.291E-02
DAV: 24 -0.445956690205E+03 -0.20152E-03 -0.70500E-05 1752 0.195E-02 0.886E-03
DAV: 25 -0.445956817269E+03 -0.12706E-03 -0.10857E-05 1144 0.839E-03 0.163E-02
DAV: 26 -0.445956904326E+03 -0.87057E-04 -0.99210E-06 1152 0.694E-03 0.120E-02
DAV: 27 -0.445956923360E+03 -0.19033E-04 -0.38281E-06 936 0.437E-03 0.104E-02
DAV: 28 -0.445956959017E+03 -0.35658E-04 -0.30062E-06 1040 0.514E-03 0.257E-03
DAV: 29 -0.445956974623E+03 -0.15606E-04 -0.20220E-06 968 0.293E-03 0.718E-03
DAV: 30 -0.445956978731E+03 -0.41076E-05 -0.56850E-07 936 0.251E-03
1 F= -.44595698E+03 E0= -.44593085E+03 d E =-.783884E-01