iterations/neb0_image04_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 0.208996058794E+04 0.20900E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.140097635961E+03 -0.22301E+04 -0.21380E+04 2128 0.262E+02
DAV: 3 -0.466292783801E+03 -0.32620E+03 -0.32281E+03 1880 0.108E+02
DAV: 4 -0.478516691469E+03 -0.12224E+02 -0.12175E+02 1968 0.222E+01
DAV: 5 -0.478944703393E+03 -0.42801E+00 -0.42779E+00 2112 0.368E+00 0.431E+01
DAV: 6 -0.447286819594E+03 0.31658E+02 -0.14607E+02 2040 0.314E+01 0.377E+01
DAV: 7 -0.454157545223E+03 -0.68707E+01 -0.28751E+02 1944 0.139E+01 0.207E+01
DAV: 8 -0.448179018355E+03 0.59785E+01 -0.83472E+00 1808 0.771E+00 0.126E+01
DAV: 9 -0.445825774237E+03 0.23532E+01 -0.18278E+01 2040 0.118E+01 0.104E+01
DAV: 10 -0.444982936547E+03 0.84284E+00 -0.33779E+00 1896 0.350E+00 0.101E+01
DAV: 11 -0.444143449059E+03 0.83949E+00 -0.34950E+00 1944 0.267E+00 0.311E+00
DAV: 12 -0.444109903962E+03 0.33545E-01 -0.17039E+00 1960 0.220E+00 0.440E+00
DAV: 13 -0.444162988155E+03 -0.53084E-01 -0.23231E+00 1920 0.159E+00 0.553E+00
DAV: 14 -0.444050782271E+03 0.11221E+00 -0.14042E+00 1904 0.121E+00 0.327E+00
DAV: 15 -0.444088769695E+03 -0.37987E-01 -0.15213E+00 2064 0.931E-01 0.438E+00
DAV: 16 -0.444054776653E+03 0.33993E-01 -0.12797E+00 1960 0.835E-01 0.365E+00
DAV: 17 -0.444020002687E+03 0.34774E-01 -0.57906E-01 2008 0.604E-01 0.910E-01
DAV: 18 -0.444038569972E+03 -0.18567E-01 -0.28385E-02 1976 0.327E-01 0.178E+00
DAV: 19 -0.444028147217E+03 0.10423E-01 -0.25071E-02 1864 0.266E-01 0.105E+00
DAV: 20 -0.444041146823E+03 -0.13000E-01 -0.71015E-03 1808 0.185E-01 0.654E-01
DAV: 21 -0.444041091022E+03 0.55800E-04 -0.42657E-03 1936 0.935E-02 0.484E-01
DAV: 22 -0.444043923739E+03 -0.28327E-02 -0.70602E-03 2096 0.158E-01 0.359E-01
DAV: 23 -0.444045810347E+03 -0.18866E-02 -0.12978E-03 1784 0.715E-02 0.170E-01
DAV: 24 -0.444047726147E+03 -0.19158E-02 -0.58902E-04 1944 0.404E-02 0.264E-01
DAV: 25 -0.444048545994E+03 -0.81985E-03 -0.72962E-04 1992 0.516E-02 0.153E-01
DAV: 26 -0.444049267120E+03 -0.72113E-03 -0.10176E-03 2088 0.467E-02 0.873E-02
DAV: 27 -0.444049503431E+03 -0.23631E-03 -0.15877E-04 1800 0.254E-02 0.642E-02
DAV: 28 -0.444049692731E+03 -0.18930E-03 -0.61613E-05 1784 0.178E-02 0.383E-02
DAV: 29 -0.444049795253E+03 -0.10252E-03 -0.13263E-05 1160 0.940E-03 0.535E-02
DAV: 30 -0.444049888332E+03 -0.93079E-04 -0.66338E-05 1328 0.126E-02 0.232E-02
DAV: 31 -0.444049936622E+03 -0.48290E-04 -0.11073E-05 968 0.654E-03 0.139E-02
DAV: 32 -0.444049947741E+03 -0.11119E-04 -0.33639E-06 944 0.525E-03 0.117E-02
DAV: 33 -0.444049961837E+03 -0.14096E-04 -0.16296E-06 984 0.321E-03 0.833E-03
DAV: 34 -0.444049968929E+03 -0.70923E-05 -0.29077E-06 920 0.297E-03
1 F= -.44404997E+03 E0= -.44402471E+03 d E =-.757875E-01