iterations/neb0_image04_iter25_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 0.209162555443E+04 0.20916E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.139034670053E+03 -0.22307E+04 -0.21385E+04 2120 0.262E+02
DAV: 3 -0.466182481831E+03 -0.32715E+03 -0.32375E+03 1872 0.108E+02
DAV: 4 -0.478442971956E+03 -0.12260E+02 -0.12210E+02 1960 0.223E+01
DAV: 5 -0.478889670916E+03 -0.44670E+00 -0.44647E+00 2120 0.373E+00 0.431E+01
DAV: 6 -0.447177222570E+03 0.31712E+02 -0.14651E+02 2048 0.315E+01 0.380E+01
DAV: 7 -0.454190952025E+03 -0.70137E+01 -0.29897E+02 1920 0.137E+01 0.208E+01
DAV: 8 -0.448178261043E+03 0.60127E+01 -0.83125E+00 1800 0.759E+00 0.127E+01
DAV: 9 -0.445677246761E+03 0.25010E+01 -0.17989E+01 2032 0.115E+01 0.982E+00
DAV: 10 -0.444854796965E+03 0.82245E+00 -0.35215E+00 1904 0.340E+00 0.104E+01
DAV: 11 -0.444207239464E+03 0.64756E+00 -0.11259E+00 1984 0.169E+00 0.542E+00
DAV: 12 -0.444483748898E+03 -0.27651E+00 -0.79649E+00 2192 0.337E+00 0.661E+00
DAV: 13 -0.444455112663E+03 0.28636E-01 -0.38393E+00 2120 0.296E+00 0.989E+00
DAV: 14 -0.444170311711E+03 0.28480E+00 -0.26729E-01 1800 0.799E-01 0.827E+00
DAV: 15 -0.444005410972E+03 0.16490E+00 -0.39176E+00 2120 0.183E+00 0.618E+00
DAV: 16 -0.443842885937E+03 0.16253E+00 -0.74603E-01 1952 0.115E+00 0.146E+00
DAV: 17 -0.443895850504E+03 -0.52965E-01 -0.53525E-02 1864 0.412E-01 0.224E+00
DAV: 18 -0.443882248952E+03 0.13602E-01 -0.31693E-02 1968 0.232E-01 0.972E-01
DAV: 19 -0.443914245936E+03 -0.31997E-01 -0.17558E-02 2008 0.217E-01 0.997E-01
DAV: 20 -0.443915793797E+03 -0.15479E-02 -0.14483E-02 1920 0.182E-01 0.415E-01
DAV: 21 -0.443919042773E+03 -0.32490E-02 -0.37675E-03 1984 0.110E-01 0.232E-01
DAV: 22 -0.443920809259E+03 -0.17665E-02 -0.43429E-03 1904 0.110E-01 0.267E-01
DAV: 23 -0.443921785525E+03 -0.97627E-03 -0.17392E-03 1864 0.623E-02 0.116E-01
DAV: 24 -0.443923871960E+03 -0.20864E-02 -0.99153E-04 1864 0.415E-02 0.268E-01
DAV: 25 -0.443924473564E+03 -0.60160E-03 -0.70853E-04 1784 0.394E-02 0.670E-02
DAV: 26 -0.443925725791E+03 -0.12522E-02 -0.18125E-04 1784 0.282E-02 0.103E-01
DAV: 27 -0.443926051000E+03 -0.32521E-03 -0.28436E-04 1808 0.258E-02 0.792E-02
DAV: 28 -0.443926142979E+03 -0.91979E-04 -0.49129E-05 1432 0.174E-02 0.582E-02
DAV: 29 -0.443926264276E+03 -0.12130E-03 -0.23312E-04 1824 0.227E-02 0.582E-02
DAV: 30 -0.443926285833E+03 -0.21557E-04 -0.43801E-05 1256 0.109E-02 0.138E-02
DAV: 31 -0.443926322323E+03 -0.36489E-04 -0.59661E-06 1048 0.580E-03 0.818E-03
DAV: 32 -0.443926334889E+03 -0.12567E-04 -0.44045E-06 960 0.525E-03 0.743E-03
DAV: 33 -0.443926344157E+03 -0.92680E-05 -0.30724E-06 944 0.378E-03
1 F= -.44392634E+03 E0= -.44390219E+03 d E =-.724713E-01