iterations/neb0_image09_iter43_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 0.209714269994E+04 0.20971E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142634125390E+03 -0.22398E+04 -0.21500E+04 2152 0.262E+02
DAV: 3 -0.466134844985E+03 -0.32350E+03 -0.32011E+03 1824 0.108E+02
DAV: 4 -0.479166914277E+03 -0.13032E+02 -0.12978E+02 1976 0.229E+01
DAV: 5 -0.479638897246E+03 -0.47198E+00 -0.47175E+00 2144 0.382E+00 0.427E+01
DAV: 6 -0.447111848260E+03 0.32527E+02 -0.14305E+02 2008 0.309E+01 0.271E+01
DAV: 7 -0.449042160798E+03 -0.19303E+01 -0.75428E+01 1920 0.111E+01 0.137E+01
DAV: 8 -0.446208608375E+03 0.28336E+01 -0.81575E+00 2464 0.799E+00 0.851E+00
DAV: 9 -0.446765711086E+03 -0.55710E+00 -0.14200E+01 1920 0.389E+00 0.481E+00
DAV: 10 -0.445983159615E+03 0.78255E+00 -0.62826E-01 2128 0.388E+00 0.353E+00
DAV: 11 -0.446113276420E+03 -0.13012E+00 -0.27757E+00 1960 0.170E+00 0.418E+00
DAV: 12 -0.445967351152E+03 0.14593E+00 -0.10832E+00 1976 0.130E+00 0.280E+00
DAV: 13 -0.445997152364E+03 -0.29801E-01 -0.12772E+00 2008 0.879E-01 0.318E+00
DAV: 14 -0.445928397566E+03 0.68755E-01 -0.40088E-01 1960 0.630E-01 0.477E-01
DAV: 15 -0.445936862322E+03 -0.84648E-02 -0.13689E-02 2000 0.242E-01 0.571E-01
DAV: 16 -0.445937064086E+03 -0.20176E-03 -0.11720E-02 1904 0.162E-01 0.321E-01
DAV: 17 -0.445938660596E+03 -0.15965E-02 -0.46553E-03 1856 0.108E-01 0.156E-01
DAV: 18 -0.445941860763E+03 -0.32002E-02 -0.60557E-03 1944 0.787E-02 0.402E-01
DAV: 19 -0.445943323858E+03 -0.14631E-02 -0.75977E-03 2120 0.114E-01 0.245E-01
DAV: 20 -0.445945180337E+03 -0.18565E-02 -0.68824E-04 1824 0.488E-02 0.177E-01
DAV: 21 -0.445945771395E+03 -0.59106E-03 -0.49256E-04 2120 0.518E-02 0.224E-02
DAV: 22 -0.445946266814E+03 -0.49542E-03 -0.14094E-04 1784 0.271E-02 0.212E-02
DAV: 23 -0.445946547239E+03 -0.28042E-03 -0.70580E-05 1560 0.163E-02 0.738E-02
DAV: 24 -0.445946640150E+03 -0.92912E-04 -0.95153E-05 1480 0.183E-02 0.187E-02
DAV: 25 -0.445946771660E+03 -0.13151E-03 -0.19701E-05 1248 0.104E-02 0.427E-03
DAV: 26 -0.445946855354E+03 -0.83694E-04 -0.83269E-06 1176 0.618E-03 0.846E-03
DAV: 27 -0.445946880704E+03 -0.25350E-04 -0.15707E-06 944 0.331E-03 0.103E-02
DAV: 28 -0.445946910572E+03 -0.29868E-04 -0.26362E-06 1080 0.380E-03 0.445E-03
DAV: 29 -0.445946917197E+03 -0.66254E-05 -0.66378E-07 936 0.229E-03
1 F= -.44594692E+03 E0= -.44592087E+03 d E =-.781385E-01