iterations/neb0_image09_iter37_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 0.209748925503E+04 0.20975E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142655528289E+03 -0.22401E+04 -0.21505E+04 2160 0.262E+02
DAV: 3 -0.466466157209E+03 -0.32381E+03 -0.32048E+03 1832 0.108E+02
DAV: 4 -0.479242942511E+03 -0.12777E+02 -0.12728E+02 1976 0.227E+01
DAV: 5 -0.479701635125E+03 -0.45869E+00 -0.45845E+00 2112 0.379E+00 0.428E+01
DAV: 6 -0.447148701296E+03 0.32553E+02 -0.14281E+02 2024 0.309E+01 0.271E+01
DAV: 7 -0.449025858240E+03 -0.18772E+01 -0.73879E+01 1920 0.111E+01 0.137E+01
DAV: 8 -0.446277220104E+03 0.27486E+01 -0.80703E+00 2456 0.802E+00 0.878E+00
DAV: 9 -0.446841439077E+03 -0.56422E+00 -0.15957E+01 1904 0.402E+00 0.495E+00
DAV: 10 -0.445980074282E+03 0.86136E+00 -0.66516E-01 2152 0.396E+00 0.300E+00
DAV: 11 -0.446069663053E+03 -0.89589E-01 -0.19542E+00 1896 0.159E+00 0.377E+00
DAV: 12 -0.446018138725E+03 0.51524E-01 -0.21494E+00 1984 0.123E+00 0.344E+00
DAV: 13 -0.446058180611E+03 -0.40042E-01 -0.20117E+00 2248 0.103E+00 0.386E+00
DAV: 14 -0.445948853322E+03 0.10933E+00 -0.24853E-01 2008 0.667E-01 0.599E-01
DAV: 15 -0.445956032878E+03 -0.71796E-02 -0.30216E-02 1984 0.291E-01 0.277E-01
DAV: 16 -0.445958196329E+03 -0.21635E-02 -0.35419E-03 1856 0.146E-01 0.116E-01
DAV: 17 -0.445960423478E+03 -0.22271E-02 -0.15922E-03 2016 0.927E-02 0.260E-01
DAV: 18 -0.445962492830E+03 -0.20694E-02 -0.16738E-03 1920 0.718E-02 0.200E-01
DAV: 19 -0.445965002170E+03 -0.25093E-02 -0.16359E-03 2096 0.101E-01 0.220E-01
DAV: 20 -0.445966606980E+03 -0.16048E-02 -0.68498E-04 1832 0.488E-02 0.432E-02
DAV: 21 -0.445967826253E+03 -0.12193E-02 -0.38486E-04 1808 0.410E-02 0.274E-02
DAV: 22 -0.445968402346E+03 -0.57609E-03 -0.21416E-04 1936 0.295E-02 0.120E-01
DAV: 23 -0.445968537229E+03 -0.13488E-03 -0.11969E-04 1624 0.215E-02 0.149E-02
DAV: 24 -0.445968790977E+03 -0.25375E-03 -0.57350E-05 1640 0.169E-02 0.362E-02
DAV: 25 -0.445968935746E+03 -0.14477E-03 -0.41996E-05 1304 0.124E-02 0.407E-02
DAV: 26 -0.445968978979E+03 -0.43233E-04 -0.76508E-06 1072 0.625E-03 0.183E-02
DAV: 27 -0.445969002459E+03 -0.23480E-04 -0.44447E-06 984 0.455E-03 0.428E-03
DAV: 28 -0.445969034541E+03 -0.32082E-04 -0.15001E-06 1016 0.324E-03 0.193E-03
DAV: 29 -0.445969053359E+03 -0.18818E-04 -0.12535E-06 992 0.200E-03 0.192E-03
DAV: 30 -0.445969056422E+03 -0.30628E-05 -0.27029E-07 936 0.159E-03
1 F= -.44596906E+03 E0= -.44594285E+03 d E =-.786100E-01