iterations/neb0_image01_iter11_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 0.208724313833E+04 0.20872E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.140847252730E+03 -0.22281E+04 -0.21408E+04 2136 0.261E+02
DAV: 3 -0.461787831187E+03 -0.32094E+03 -0.31718E+03 1904 0.107E+02
DAV: 4 -0.475465054139E+03 -0.13677E+02 -0.13462E+02 1968 0.227E+01
DAV: 5 -0.475953211851E+03 -0.48816E+00 -0.48784E+00 2104 0.381E+00 0.433E+01
DAV: 6 -0.457619788005E+03 0.18333E+02 -0.20339E+02 2048 0.317E+01 0.411E+01
DAV: 7 -0.450336321473E+03 0.72835E+01 -0.42673E+01 1784 0.139E+01 0.200E+01
DAV: 8 -0.445767659737E+03 0.45687E+01 -0.80678E+00 1792 0.717E+00 0.115E+01
DAV: 9 -0.446336975472E+03 -0.56932E+00 -0.21352E+01 2036 0.815E+00 0.990E+00
DAV: 10 -0.445830490041E+03 0.50649E+00 -0.15257E+00 1816 0.225E+00 0.849E+00
DAV: 11 -0.445127658826E+03 0.70283E+00 -0.48924E-01 2000 0.165E+00 0.648E+00
DAV: 12 -0.445114667055E+03 0.12992E-01 -0.48945E+00 2016 0.316E+00 0.144E+01
DAV: 13 -0.444360773922E+03 0.75389E+00 -0.54315E+00 1936 0.234E+00 0.347E+00
DAV: 14 -0.444492434711E+03 -0.13166E+00 -0.18612E-01 1944 0.982E-01 0.332E+00
DAV: 15 -0.444396776863E+03 0.95658E-01 -0.24334E-02 1904 0.445E-01 0.234E+00
DAV: 16 -0.444369238332E+03 0.27539E-01 -0.87579E-03 2032 0.289E-01 0.106E+00
DAV: 17 -0.444383848524E+03 -0.14610E-01 -0.48404E-03 1960 0.248E-01 0.140E+00
DAV: 18 -0.444371968329E+03 0.11880E-01 -0.22043E-01 1960 0.409E-01 0.497E-01
DAV: 19 -0.444383281312E+03 -0.11313E-01 -0.48500E-03 1904 0.143E-01 0.365E-01
DAV: 20 -0.444382634609E+03 0.64670E-03 -0.61231E-04 1944 0.600E-02 0.265E-01
DAV: 21 -0.444383549635E+03 -0.91503E-03 -0.64629E-04 2368 0.899E-02 0.105E-01
DAV: 22 -0.444384676946E+03 -0.11273E-02 -0.42031E-04 1808 0.465E-02 0.114E-01
DAV: 23 -0.444385089688E+03 -0.41274E-03 -0.72577E-05 1912 0.241E-02 0.124E-01
DAV: 24 -0.444385314764E+03 -0.22508E-03 -0.19408E-04 1848 0.394E-02 0.449E-02
DAV: 25 -0.444385651554E+03 -0.33679E-03 -0.44421E-05 1768 0.165E-02 0.222E-02
DAV: 26 -0.444385991502E+03 -0.33995E-03 -0.28865E-05 1480 0.134E-02 0.134E-02
DAV: 27 -0.444386288081E+03 -0.29658E-03 -0.78357E-05 1792 0.202E-02 0.127E-02
DAV: 28 -0.444386307764E+03 -0.19683E-04 -0.61717E-06 1080 0.759E-03 0.100E-02
DAV: 29 -0.444386337312E+03 -0.29548E-04 -0.98520E-06 1144 0.749E-03 0.599E-03
DAV: 30 -0.444386353076E+03 -0.15764E-04 -0.21114E-06 1000 0.414E-03 0.707E-03
DAV: 31 -0.444386371125E+03 -0.18050E-04 -0.13219E-06 1040 0.229E-03 0.129E-03
DAV: 32 -0.444386376692E+03 -0.55666E-05 -0.43963E-07 912 0.154E-03
1 F= -.44438638E+03 E0= -.44437973E+03 d E =-.199276E-01