iterations/neb0_image08_iter34_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 0.210453620602E+04 0.21045E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.141277232204E+03 -0.22458E+04 -0.21559E+04 2168 0.262E+02
DAV: 3 -0.466631438076E+03 -0.32535E+03 -0.32213E+03 1856 0.108E+02
DAV: 4 -0.478904309798E+03 -0.12273E+02 -0.12224E+02 1944 0.224E+01
DAV: 5 -0.479365226612E+03 -0.46092E+00 -0.46070E+00 2128 0.380E+00 0.429E+01
DAV: 6 -0.447621181314E+03 0.31744E+02 -0.14428E+02 1984 0.311E+01 0.271E+01
DAV: 7 -0.448021946815E+03 -0.40077E+00 -0.43982E+01 1856 0.112E+01 0.135E+01
DAV: 8 -0.447009326773E+03 0.10126E+01 -0.78190E+00 2376 0.803E+00 0.991E+00
DAV: 9 -0.446121974072E+03 0.88735E+00 -0.10039E+01 2048 0.456E+00 0.560E+00
DAV: 10 -0.446244557167E+03 -0.12258E+00 -0.92692E-01 2264 0.438E+00 0.644E+00
DAV: 11 -0.445639436426E+03 0.60512E+00 -0.18761E+00 1944 0.217E+00 0.121E+00
DAV: 12 -0.445666093417E+03 -0.26657E-01 -0.20020E-01 1920 0.108E+00 0.884E-01
DAV: 13 -0.445670529805E+03 -0.44364E-02 -0.41432E-02 1824 0.439E-01 0.621E-01
DAV: 14 -0.445673278828E+03 -0.27490E-02 -0.16791E-02 1912 0.338E-01 0.264E-01
DAV: 15 -0.445676294142E+03 -0.30153E-02 -0.69989E-03 2024 0.211E-01 0.279E-01
DAV: 16 -0.445678089864E+03 -0.17957E-02 -0.53782E-03 2120 0.114E-01 0.357E-01
DAV: 17 -0.445679673459E+03 -0.15836E-02 -0.10561E-02 2080 0.124E-01 0.455E-01
DAV: 18 -0.445680318255E+03 -0.64480E-03 -0.52700E-03 1880 0.828E-02 0.907E-02
DAV: 19 -0.445682891796E+03 -0.25735E-02 -0.99350E-04 1888 0.675E-02 0.269E-01
DAV: 20 -0.445684305382E+03 -0.14136E-02 -0.54615E-04 1976 0.793E-02 0.431E-02
DAV: 21 -0.445685516869E+03 -0.12115E-02 -0.68936E-04 1864 0.636E-02 0.108E-01
DAV: 22 -0.445686005473E+03 -0.48860E-03 -0.17387E-04 1872 0.371E-02 0.126E-01
DAV: 23 -0.445686211343E+03 -0.20587E-03 -0.15073E-04 1880 0.270E-02 0.188E-02
DAV: 24 -0.445686443213E+03 -0.23187E-03 -0.54788E-05 1712 0.172E-02 0.239E-02
DAV: 25 -0.445686529905E+03 -0.86692E-04 -0.12410E-05 1136 0.100E-02 0.688E-03
DAV: 26 -0.445686595418E+03 -0.65513E-04 -0.65283E-06 1064 0.634E-03 0.812E-03
DAV: 27 -0.445686626793E+03 -0.31375E-04 -0.24541E-06 1024 0.377E-03 0.559E-03
DAV: 28 -0.445686646236E+03 -0.19443E-04 -0.11791E-06 960 0.260E-03 0.401E-03
DAV: 29 -0.445686657328E+03 -0.11092E-04 -0.76676E-07 1000 0.175E-03 0.746E-04
DAV: 30 -0.445686659364E+03 -0.20359E-05 -0.17094E-07 936 0.904E-04
1 F= -.44568666E+03 E0= -.44566171E+03 d E =-.748423E-01