iterations/neb0_image04_iter60_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 0.209177925107E+04 0.20918E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139139294180E+03 -0.22309E+04 -0.21422E+04 2136 0.262E+02
DAV: 3 -0.464840609087E+03 -0.32570E+03 -0.32145E+03 1848 0.107E+02
DAV: 4 -0.477582245433E+03 -0.12742E+02 -0.12690E+02 1968 0.226E+01
DAV: 5 -0.478056192637E+03 -0.47395E+00 -0.47366E+00 2144 0.379E+00 0.430E+01
DAV: 6 -0.448789692817E+03 0.29266E+02 -0.14845E+02 2016 0.320E+01 0.376E+01
DAV: 7 -0.453403363992E+03 -0.46137E+01 -0.23041E+02 1904 0.152E+01 0.206E+01
DAV: 8 -0.447271657040E+03 0.61317E+01 -0.93001E+00 1776 0.881E+00 0.128E+01
DAV: 9 -0.446758899774E+03 0.51276E+00 -0.34116E+01 1960 0.128E+01 0.104E+01
DAV: 10 -0.445977769648E+03 0.78113E+00 -0.40111E+00 1840 0.388E+00 0.986E+00
DAV: 11 -0.444751978630E+03 0.12258E+01 -0.14690E+00 1992 0.301E+00 0.588E+00
DAV: 12 -0.445254329406E+03 -0.50235E+00 -0.10119E+01 2200 0.370E+00 0.844E+00
DAV: 13 -0.444452815583E+03 0.80151E+00 -0.85518E-01 2104 0.287E+00 0.328E+00
DAV: 14 -0.444507696701E+03 -0.54881E-01 -0.13110E+00 1880 0.124E+00 0.403E+00
DAV: 15 -0.444421873465E+03 0.85823E-01 -0.29281E-01 1968 0.789E-01 0.172E+00
DAV: 16 -0.444421676435E+03 0.19703E-03 -0.87086E-02 2088 0.623E-01 0.891E-01
DAV: 17 -0.444428085140E+03 -0.64087E-02 -0.23414E-02 1888 0.331E-01 0.901E-01
DAV: 18 -0.444427074675E+03 0.10105E-02 -0.45599E-03 1920 0.136E-01 0.462E-01
DAV: 19 -0.444433775562E+03 -0.67009E-02 -0.11610E-02 2136 0.212E-01 0.671E-01
DAV: 20 -0.444432113781E+03 0.16618E-02 -0.44634E-03 1880 0.155E-01 0.298E-01
DAV: 21 -0.444434478082E+03 -0.23643E-02 -0.38267E-03 2144 0.117E-01 0.901E-02
DAV: 22 -0.444437151037E+03 -0.26730E-02 -0.14263E-03 1904 0.787E-02 0.235E-01
DAV: 23 -0.444437553815E+03 -0.40278E-03 -0.31676E-04 1904 0.452E-02 0.186E-01
DAV: 24 -0.444438596047E+03 -0.10422E-02 -0.49328E-04 1984 0.463E-02 0.867E-02
DAV: 25 -0.444439366019E+03 -0.76997E-03 -0.13854E-04 1808 0.272E-02 0.774E-02
DAV: 26 -0.444439644304E+03 -0.27828E-03 -0.11607E-04 1768 0.233E-02 0.777E-02
DAV: 27 -0.444439748812E+03 -0.10451E-03 -0.62597E-05 1480 0.187E-02 0.367E-02
DAV: 28 -0.444439863838E+03 -0.11503E-03 -0.72066E-05 1664 0.199E-02 0.215E-02
DAV: 29 -0.444439932869E+03 -0.69031E-04 -0.14872E-05 1200 0.843E-03 0.551E-03
DAV: 30 -0.444439957226E+03 -0.24357E-04 -0.32822E-06 1008 0.454E-03 0.309E-03
DAV: 31 -0.444439966704E+03 -0.94776E-05 -0.14953E-06 936 0.324E-03
1 F= -.44443997E+03 E0= -.44443485E+03 d E =-.153620E-01