iterations/neb0_image09_iter36_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 0.209769534939E+04 0.20977E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142639452945E+03 -0.22403E+04 -0.21506E+04 2160 0.262E+02
DAV: 3 -0.466481987935E+03 -0.32384E+03 -0.32051E+03 1832 0.108E+02
DAV: 4 -0.479257589164E+03 -0.12776E+02 -0.12727E+02 1968 0.227E+01
DAV: 5 -0.479716816261E+03 -0.45923E+00 -0.45899E+00 2120 0.379E+00 0.428E+01
DAV: 6 -0.447151279779E+03 0.32566E+02 -0.14297E+02 2024 0.309E+01 0.271E+01
DAV: 7 -0.449022673716E+03 -0.18714E+01 -0.73737E+01 1920 0.111E+01 0.137E+01
DAV: 8 -0.446282576625E+03 0.27401E+01 -0.80570E+00 2440 0.801E+00 0.882E+00
DAV: 9 -0.446849538735E+03 -0.56696E+00 -0.16208E+01 1920 0.404E+00 0.498E+00
DAV: 10 -0.445976435063E+03 0.87310E+00 -0.68242E-01 2176 0.397E+00 0.294E+00
DAV: 11 -0.446064474510E+03 -0.88039E-01 -0.18889E+00 1928 0.158E+00 0.373E+00
DAV: 12 -0.446019525382E+03 0.44949E-01 -0.21601E+00 2040 0.123E+00 0.349E+00
DAV: 13 -0.446059828825E+03 -0.40303E-01 -0.20721E+00 2248 0.104E+00 0.390E+00
DAV: 14 -0.445947832545E+03 0.11200E+00 -0.23403E-01 1968 0.671E-01 0.670E-01
DAV: 15 -0.445954334779E+03 -0.65022E-02 -0.33032E-02 1984 0.297E-01 0.270E-01
DAV: 16 -0.445956747290E+03 -0.24125E-02 -0.35668E-03 1856 0.149E-01 0.170E-01
DAV: 17 -0.445958945727E+03 -0.21984E-02 -0.15969E-03 2016 0.911E-02 0.274E-01
DAV: 18 -0.445960888368E+03 -0.19426E-02 -0.16651E-03 1992 0.705E-02 0.196E-01
DAV: 19 -0.445963602470E+03 -0.27141E-02 -0.17480E-03 2144 0.106E-01 0.242E-01
DAV: 20 -0.445965190320E+03 -0.15878E-02 -0.96761E-04 1856 0.575E-02 0.744E-02
DAV: 21 -0.445966342615E+03 -0.11523E-02 -0.40142E-04 1800 0.412E-02 0.263E-02
DAV: 22 -0.445966887612E+03 -0.54500E-03 -0.22460E-04 1952 0.304E-02 0.110E-01
DAV: 23 -0.445967050657E+03 -0.16304E-03 -0.95383E-05 1584 0.203E-02 0.154E-02
DAV: 24 -0.445967304698E+03 -0.25404E-03 -0.59985E-05 1688 0.173E-02 0.144E-02
DAV: 25 -0.445967437528E+03 -0.13283E-03 -0.18626E-05 1216 0.939E-03 0.276E-02
DAV: 26 -0.445967497548E+03 -0.60021E-04 -0.80171E-06 1088 0.639E-03 0.177E-02
DAV: 27 -0.445967513452E+03 -0.15904E-04 -0.40456E-06 968 0.443E-03 0.713E-03
DAV: 28 -0.445967548532E+03 -0.35080E-04 -0.26254E-06 1008 0.502E-03 0.227E-03
DAV: 29 -0.445967567735E+03 -0.19203E-04 -0.18586E-06 1016 0.267E-03 0.554E-03
DAV: 30 -0.445967571448E+03 -0.37135E-05 -0.40764E-07 936 0.223E-03
1 F= -.44596757E+03 E0= -.44594136E+03 d E =-.786425E-01