iterations/neb0_image02_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 0.209049910617E+04 0.20905E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.141800697151E+03 -0.22323E+04 -0.21448E+04 2144 0.261E+02
DAV: 3 -0.462176125440E+03 -0.32038E+03 -0.31642E+03 1904 0.107E+02
DAV: 4 -0.475836678396E+03 -0.13661E+02 -0.13494E+02 1944 0.227E+01
DAV: 5 -0.476351877658E+03 -0.51520E+00 -0.51487E+00 2152 0.390E+00 0.435E+01
DAV: 6 -0.456174145639E+03 0.20178E+02 -0.17383E+02 2024 0.320E+01 0.408E+01
DAV: 7 -0.452474737864E+03 0.36994E+01 -0.42824E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445438986503E+03 0.70358E+01 -0.98362E+00 1824 0.803E+00 0.130E+01
DAV: 9 -0.448264877464E+03 -0.28259E+01 -0.62268E+01 2056 0.101E+01 0.208E+01
DAV: 10 -0.445769742744E+03 0.24951E+01 -0.25636E+01 1872 0.379E+00 0.989E+00
DAV: 11 -0.445634290825E+03 0.13545E+00 -0.26845E-01 1928 0.947E-01 0.951E+00
DAV: 12 -0.445440474225E+03 0.19382E+00 -0.12782E-01 1928 0.991E-01 0.860E+00
DAV: 13 -0.445357333312E+03 0.83141E-01 -0.85698E-01 1872 0.257E+00 0.613E+00
DAV: 14 -0.445171435803E+03 0.18590E+00 -0.45029E-01 1944 0.179E+00 0.594E+00
DAV: 15 -0.444799074908E+03 0.37236E+00 -0.20181E-01 1968 0.121E+00 0.452E+00
DAV: 16 -0.444654928409E+03 0.14415E+00 -0.76726E-02 1880 0.673E-01 0.406E+00
DAV: 17 -0.444464586847E+03 0.19034E+00 -0.24949E-02 2320 0.649E-01 0.344E+00
DAV: 18 -0.444447006729E+03 0.17580E-01 -0.27935E+00 2176 0.163E+00 0.870E+00
DAV: 19 -0.444146749881E+03 0.30026E+00 -0.10842E+00 1888 0.762E-01 0.169E+00
DAV: 20 -0.444239000091E+03 -0.92250E-01 -0.21074E-02 1880 0.328E-01 0.977E-01
DAV: 21 -0.444257457791E+03 -0.18458E-01 -0.13134E-02 1872 0.285E-01 0.479E-01
DAV: 22 -0.444253082108E+03 0.43757E-02 -0.10355E-02 1976 0.330E-01 0.513E-01
DAV: 23 -0.444256146874E+03 -0.30648E-02 -0.38560E-03 1864 0.127E-01 0.246E-01
DAV: 24 -0.444257370750E+03 -0.12239E-02 -0.43516E-04 2024 0.488E-02 0.231E-01
DAV: 25 -0.444257813575E+03 -0.44283E-03 -0.79800E-05 1896 0.213E-02 0.194E-01
DAV: 26 -0.444260149243E+03 -0.23357E-02 -0.15336E-03 1864 0.101E-01 0.186E-01
DAV: 27 -0.444260245487E+03 -0.96244E-04 -0.35031E-04 1920 0.449E-02 0.182E-01
DAV: 28 -0.444260164930E+03 0.80557E-04 -0.34835E-05 1560 0.142E-02 0.182E-01
DAV: 29 -0.444260366416E+03 -0.20149E-03 -0.66584E-05 1832 0.208E-02 0.130E-01
DAV: 30 -0.444260624238E+03 -0.25782E-03 -0.71671E-05 1984 0.273E-02 0.328E-02
DAV: 31 -0.444260823911E+03 -0.19967E-03 -0.24646E-05 1392 0.117E-02 0.392E-02
DAV: 32 -0.444260934461E+03 -0.11055E-03 -0.52797E-05 1744 0.182E-02 0.595E-02
DAV: 33 -0.444260949425E+03 -0.14964E-04 -0.71299E-06 1040 0.746E-03 0.522E-02
DAV: 34 -0.444260966483E+03 -0.17058E-04 -0.79333E-06 1024 0.874E-03 0.304E-02
DAV: 35 -0.444261001885E+03 -0.35402E-04 -0.53740E-06 1096 0.684E-03 0.846E-03
DAV: 36 -0.444261021569E+03 -0.19685E-04 -0.28638E-06 1008 0.525E-03 0.644E-03
DAV: 37 -0.444261031249E+03 -0.96801E-05 -0.15790E-06 952 0.282E-03
1 F= -.44426103E+03 E0= -.44425464E+03 d E =-.191727E-01