iterations/neb0_image01_iter22_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 0.208823498246E+04 0.20882E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.141260263491E+03 -0.22295E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.462053530349E+03 -0.32079E+03 -0.31680E+03 1920 0.107E+02
DAV: 4 -0.475695366086E+03 -0.13642E+02 -0.13486E+02 1952 0.227E+01
DAV: 5 -0.476179309100E+03 -0.48394E+00 -0.48359E+00 2132 0.380E+00 0.434E+01
DAV: 6 -0.457060117232E+03 0.19119E+02 -0.19609E+02 2016 0.316E+01 0.411E+01
DAV: 7 -0.452274344452E+03 0.47858E+01 -0.41888E+01 1768 0.139E+01 0.219E+01
DAV: 8 -0.445405236370E+03 0.68691E+01 -0.95554E+00 1808 0.795E+00 0.105E+01
DAV: 9 -0.445163000458E+03 0.24224E+00 -0.67409E+00 1904 0.571E+00 0.889E+00
DAV: 10 -0.444449439322E+03 0.71356E+00 -0.73400E-01 1896 0.226E+00 0.558E+00
DAV: 11 -0.446493115424E+03 -0.20437E+01 -0.21207E+01 1976 0.294E+00 0.137E+01
DAV: 12 -0.444237769715E+03 0.22553E+01 -0.74065E-01 1960 0.253E+00 0.224E+00
DAV: 13 -0.444370770236E+03 -0.13300E+00 -0.28977E-01 2032 0.968E-01 0.165E+00
DAV: 14 -0.444402389811E+03 -0.31620E-01 -0.24901E-01 1808 0.500E-01 0.137E+00
DAV: 15 -0.444391168374E+03 0.11221E-01 -0.96815E-03 1960 0.341E-01 0.339E-01
DAV: 16 -0.444397761772E+03 -0.65934E-02 -0.36835E-03 1888 0.149E-01 0.236E-01
DAV: 17 -0.444400100405E+03 -0.23386E-02 -0.17387E-03 2048 0.108E-01 0.228E-01
DAV: 18 -0.444401383572E+03 -0.12832E-02 -0.33629E-04 1864 0.527E-02 0.176E-01
DAV: 19 -0.444403563286E+03 -0.21797E-02 -0.55902E-04 2080 0.748E-02 0.366E-02
DAV: 20 -0.444405229375E+03 -0.16661E-02 -0.26505E-04 1784 0.338E-02 0.546E-02
DAV: 21 -0.444405677056E+03 -0.44768E-03 -0.10021E-04 1920 0.244E-02 0.405E-02
DAV: 22 -0.444406431294E+03 -0.75424E-03 -0.72681E-05 1536 0.213E-02 0.138E-02
DAV: 23 -0.444406683947E+03 -0.25265E-03 -0.79121E-05 1888 0.225E-02 0.123E-02
DAV: 24 -0.444406723156E+03 -0.39210E-04 -0.12869E-05 1008 0.915E-03 0.977E-03
DAV: 25 -0.444406779107E+03 -0.55951E-04 -0.94179E-06 1216 0.988E-03 0.604E-03
DAV: 26 -0.444406822355E+03 -0.43248E-04 -0.12916E-05 1080 0.105E-02 0.113E-02
DAV: 27 -0.444406844336E+03 -0.21981E-04 -0.35413E-06 1000 0.445E-03 0.867E-03
DAV: 28 -0.444406858876E+03 -0.14540E-04 -0.19492E-06 1016 0.425E-03 0.242E-03
DAV: 29 -0.444406863064E+03 -0.41880E-05 -0.10120E-06 936 0.254E-03
1 F= -.44440686E+03 E0= -.44440050E+03 d E =-.190891E-01