iterations/neb0_image01_iter32_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 0.208826580671E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141113557694E+03 -0.22294E+04 -0.21419E+04 2144 0.261E+02
DAV: 3 -0.461739305803E+03 -0.32063E+03 -0.31716E+03 1888 0.107E+02
DAV: 4 -0.475110877230E+03 -0.13372E+02 -0.13176E+02 1992 0.226E+01
DAV: 5 -0.475603843940E+03 -0.49297E+00 -0.49122E+00 2112 0.377E+00 0.435E+01
DAV: 6 -0.458376290820E+03 0.17228E+02 -0.23904E+02 2048 0.318E+01 0.412E+01
DAV: 7 -0.450059908186E+03 0.83164E+01 -0.42914E+01 1756 0.138E+01 0.200E+01
DAV: 8 -0.445519405296E+03 0.45405E+01 -0.82908E+00 1800 0.723E+00 0.115E+01
DAV: 9 -0.446581833129E+03 -0.10624E+01 -0.26183E+01 2048 0.839E+00 0.998E+00
DAV: 10 -0.446066140327E+03 0.51569E+00 -0.16051E+00 1824 0.231E+00 0.903E+00
DAV: 11 -0.444886746899E+03 0.11794E+01 -0.18249E+00 1992 0.234E+00 0.572E+00
DAV: 12 -0.444949941150E+03 -0.63194E-01 -0.71225E+00 2056 0.275E+00 0.139E+01
DAV: 13 -0.444492425424E+03 0.45752E+00 -0.65229E+00 1984 0.257E+00 0.379E+00
DAV: 14 -0.444528628886E+03 -0.36203E-01 -0.15296E-01 1880 0.765E-01 0.344E+00
DAV: 15 -0.444389096432E+03 0.13953E+00 -0.22672E-02 2040 0.518E-01 0.176E+00
DAV: 16 -0.444380273409E+03 0.88230E-02 -0.14601E-02 1904 0.392E-01 0.556E-01
DAV: 17 -0.444395491646E+03 -0.15218E-01 -0.23876E-02 2000 0.303E-01 0.252E-01
DAV: 18 -0.444403320272E+03 -0.78286E-02 -0.33508E-03 1864 0.158E-01 0.386E-01
DAV: 19 -0.444403060077E+03 0.26019E-03 -0.14830E-03 1920 0.932E-02 0.895E-02
DAV: 20 -0.444403914409E+03 -0.85433E-03 -0.37778E-04 1872 0.454E-02 0.558E-02
DAV: 21 -0.444405653999E+03 -0.17396E-02 -0.43969E-04 2080 0.679E-02 0.215E-01
DAV: 22 -0.444405241901E+03 0.41210E-03 -0.21120E-04 2200 0.557E-02 0.313E-02
DAV: 23 -0.444406053173E+03 -0.81127E-03 -0.27738E-04 1856 0.375E-02 0.252E-02
DAV: 24 -0.444406253882E+03 -0.20071E-03 -0.29015E-05 1584 0.166E-02 0.310E-02
DAV: 25 -0.444406707127E+03 -0.45325E-03 -0.10611E-04 1840 0.277E-02 0.262E-02
DAV: 26 -0.444406893690E+03 -0.18656E-03 -0.30060E-05 1568 0.142E-02 0.895E-03
DAV: 27 -0.444406953429E+03 -0.59739E-04 -0.12729E-05 1248 0.840E-03 0.620E-03
DAV: 28 -0.444406984430E+03 -0.31001E-04 -0.43756E-06 1056 0.487E-03 0.470E-03
DAV: 29 -0.444407010434E+03 -0.26004E-04 -0.23797E-06 1096 0.348E-03 0.410E-03
DAV: 30 -0.444407018838E+03 -0.84043E-05 -0.10221E-06 936 0.269E-03
1 F= -.44440702E+03 E0= -.44440000E+03 d E =-.210656E-01