iterations/neb0_image02_iter28_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 0.208942215580E+04 0.20894E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.141796572005E+03 -0.22312E+04 -0.21437E+04 2144 0.261E+02
DAV: 3 -0.462199687986E+03 -0.32040E+03 -0.31635E+03 1912 0.107E+02
DAV: 4 -0.475829005820E+03 -0.13629E+02 -0.13485E+02 1928 0.228E+01
DAV: 5 -0.476365092646E+03 -0.53609E+00 -0.53570E+00 2152 0.393E+00 0.434E+01
DAV: 6 -0.456182236801E+03 0.20183E+02 -0.17362E+02 2040 0.318E+01 0.408E+01
DAV: 7 -0.452542109203E+03 0.36401E+01 -0.42700E+01 1776 0.141E+01 0.220E+01
DAV: 8 -0.445526132922E+03 0.70160E+01 -0.98341E+00 1840 0.796E+00 0.131E+01
DAV: 9 -0.448480741390E+03 -0.29546E+01 -0.63204E+01 2064 0.101E+01 0.219E+01
DAV: 10 -0.445802364441E+03 0.26784E+01 -0.32566E+01 1868 0.386E+00 0.996E+00
DAV: 11 -0.445648509015E+03 0.15386E+00 -0.29460E-01 1944 0.996E-01 0.950E+00
DAV: 12 -0.445398802087E+03 0.24971E+00 -0.18747E-01 1896 0.119E+00 0.824E+00
DAV: 13 -0.445334701427E+03 0.64101E-01 -0.95911E-01 1936 0.280E+00 0.572E+00
DAV: 14 -0.445059595340E+03 0.27511E+00 -0.33553E-01 2008 0.144E+00 0.504E+00
DAV: 15 -0.444816648021E+03 0.24295E+00 -0.12177E-01 1968 0.913E-01 0.412E+00
DAV: 16 -0.444702148921E+03 0.11450E+00 -0.41786E-02 1896 0.521E-01 0.378E+00
DAV: 17 -0.444496033439E+03 0.20612E+00 -0.26826E-02 2456 0.652E-01 0.307E+00
DAV: 18 -0.444458635233E+03 0.37398E-01 -0.21677E+00 2128 0.145E+00 0.735E+00
DAV: 19 -0.444231100628E+03 0.22753E+00 -0.78370E-01 1880 0.687E-01 0.131E+00
DAV: 20 -0.444315319675E+03 -0.84219E-01 -0.57806E-02 1872 0.311E-01 0.106E+00
DAV: 21 -0.444316481923E+03 -0.11622E-02 -0.21944E-02 1976 0.352E-01 0.493E-01
DAV: 22 -0.444314165177E+03 0.23167E-02 -0.14941E-02 1872 0.292E-01 0.848E-01
DAV: 23 -0.444314647769E+03 -0.48259E-03 -0.23557E-03 1904 0.116E-01 0.763E-01
DAV: 24 -0.444313798443E+03 0.84933E-03 -0.48409E-04 1912 0.580E-02 0.554E-01
DAV: 25 -0.444315927025E+03 -0.21286E-02 -0.86485E-04 1968 0.848E-02 0.302E-01
DAV: 26 -0.444317756543E+03 -0.18295E-02 -0.81759E-04 1984 0.765E-02 0.109E-01
DAV: 27 -0.444319112604E+03 -0.13561E-02 -0.19214E-04 1776 0.433E-02 0.118E-01
DAV: 28 -0.444319770451E+03 -0.65785E-03 -0.16544E-04 1984 0.373E-02 0.290E-01
DAV: 29 -0.444319288500E+03 0.48195E-03 -0.10376E-04 1856 0.255E-02 0.171E-01
DAV: 30 -0.444319485700E+03 -0.19720E-03 -0.49180E-05 1464 0.193E-02 0.807E-02
DAV: 31 -0.444319646104E+03 -0.16040E-03 -0.56661E-05 1640 0.229E-02 0.767E-02
DAV: 32 -0.444319766786E+03 -0.12068E-03 -0.23310E-05 1504 0.109E-02 0.721E-02
DAV: 33 -0.444319848229E+03 -0.81443E-04 -0.11233E-05 1248 0.903E-03 0.323E-02
DAV: 34 -0.444319912946E+03 -0.64718E-04 -0.12464E-05 1232 0.891E-03 0.189E-02
DAV: 35 -0.444319921329E+03 -0.83823E-05 -0.21170E-06 936 0.310E-03
1 F= -.44431992E+03 E0= -.44431352E+03 d E =-.192136E-01