iterations/neb0_image04_iter19_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 0.208938349374E+04 0.20894E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.140113605267E+03 -0.22295E+04 -0.21386E+04 2136 0.261E+02
DAV: 3 -0.465228231994E+03 -0.32511E+03 -0.32153E+03 1864 0.107E+02
DAV: 4 -0.477840280769E+03 -0.12612E+02 -0.12556E+02 1968 0.225E+01
DAV: 5 -0.478320316684E+03 -0.48004E+00 -0.47976E+00 2136 0.381E+00 0.428E+01
DAV: 6 -0.447825850545E+03 0.30494E+02 -0.14653E+02 2024 0.318E+01 0.376E+01
DAV: 7 -0.453695162746E+03 -0.58693E+01 -0.22942E+02 1920 0.145E+01 0.207E+01
DAV: 8 -0.447544235799E+03 0.61509E+01 -0.90077E+00 1808 0.847E+00 0.128E+01
DAV: 9 -0.445911455025E+03 0.16328E+01 -0.24882E+01 1976 0.130E+01 0.116E+01
DAV: 10 -0.444767572193E+03 0.11439E+01 -0.46015E+00 1912 0.400E+00 0.916E+00
DAV: 11 -0.444318354937E+03 0.44922E+00 -0.11343E+00 1984 0.181E+00 0.835E+00
DAV: 12 -0.443976568127E+03 0.34179E+00 -0.32523E+00 1952 0.193E+00 0.476E+00
DAV: 13 -0.444161452791E+03 -0.18488E+00 -0.49865E+00 2200 0.242E+00 0.665E+00
DAV: 14 -0.443965424320E+03 0.19603E+00 -0.42838E+00 2176 0.187E+00 0.537E+00
DAV: 15 -0.443828209829E+03 0.13721E+00 -0.11297E+00 1960 0.942E-01 0.133E+00
DAV: 16 -0.443893220445E+03 -0.65011E-01 -0.17606E-01 1928 0.649E-01 0.319E+00
DAV: 17 -0.443846676799E+03 0.46544E-01 -0.25684E-01 1992 0.468E-01 0.191E+00
DAV: 18 -0.443839581201E+03 0.70956E-02 -0.47051E-02 2048 0.345E-01 0.125E+00
DAV: 19 -0.443844761641E+03 -0.51804E-02 -0.10353E-02 1896 0.193E-01 0.460E-01
DAV: 20 -0.443856349049E+03 -0.11587E-01 -0.75311E-03 1816 0.131E-01 0.394E-01
DAV: 21 -0.443858952739E+03 -0.26037E-02 -0.73739E-04 1952 0.726E-02 0.239E-01
DAV: 22 -0.443860726408E+03 -0.17737E-02 -0.48304E-04 1912 0.483E-02 0.206E-01
DAV: 23 -0.443863053173E+03 -0.23268E-02 -0.65682E-04 1824 0.497E-02 0.830E-02
DAV: 24 -0.443864594753E+03 -0.15416E-02 -0.30658E-04 1896 0.392E-02 0.944E-02
DAV: 25 -0.443865051394E+03 -0.45664E-03 -0.67602E-05 1552 0.172E-02 0.116E-01
DAV: 26 -0.443865418691E+03 -0.36730E-03 -0.19989E-04 1600 0.250E-02 0.492E-02
DAV: 27 -0.443865685041E+03 -0.26635E-03 -0.17964E-04 1744 0.203E-02 0.309E-02
DAV: 28 -0.443865724828E+03 -0.39787E-04 -0.29464E-05 1144 0.148E-02 0.138E-02
DAV: 29 -0.443865786808E+03 -0.61980E-04 -0.35576E-05 1400 0.118E-02 0.131E-02
DAV: 30 -0.443865803280E+03 -0.16473E-04 -0.41143E-06 936 0.715E-03 0.774E-03
DAV: 31 -0.443865832825E+03 -0.29545E-04 -0.63217E-06 1040 0.634E-03 0.533E-03
DAV: 32 -0.443865841263E+03 -0.84378E-05 -0.18622E-06 936 0.252E-03
1 F= -.44386584E+03 E0= -.44383978E+03 d E =-.781703E-01