iterations/neb0_image04_iter31_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 0.209057747883E+04 0.20906E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.141718829916E+03 -0.22323E+04 -0.21414E+04 2136 0.262E+02
DAV: 3 -0.466415570299E+03 -0.32470E+03 -0.32132E+03 1880 0.108E+02
DAV: 4 -0.478583976717E+03 -0.12168E+02 -0.12118E+02 1960 0.221E+01
DAV: 5 -0.479024825795E+03 -0.44085E+00 -0.44062E+00 2120 0.370E+00 0.432E+01
DAV: 6 -0.447285900108E+03 0.31739E+02 -0.14586E+02 2032 0.315E+01 0.378E+01
DAV: 7 -0.454392590845E+03 -0.71067E+01 -0.29462E+02 1928 0.137E+01 0.208E+01
DAV: 8 -0.448330518684E+03 0.60621E+01 -0.83427E+00 1800 0.752E+00 0.127E+01
DAV: 9 -0.445840110411E+03 0.24904E+01 -0.17756E+01 2008 0.118E+01 0.981E+00
DAV: 10 -0.445062174093E+03 0.77794E+00 -0.38079E+00 1912 0.353E+00 0.105E+01
DAV: 11 -0.444374118565E+03 0.68806E+00 -0.87548E-01 1968 0.169E+00 0.562E+00
DAV: 12 -0.444667777753E+03 -0.29366E+00 -0.95916E+00 2192 0.329E+00 0.681E+00
DAV: 13 -0.444101625164E+03 0.56615E+00 -0.13808E+00 2080 0.230E+00 0.336E+00
DAV: 14 -0.444146900911E+03 -0.45276E-01 -0.10961E+00 1928 0.957E-01 0.335E+00
DAV: 15 -0.444204903938E+03 -0.58003E-01 -0.26430E+00 2248 0.109E+00 0.523E+00
DAV: 16 -0.444077695840E+03 0.12721E+00 -0.49566E-01 1880 0.775E-01 0.191E+00
DAV: 17 -0.444102744282E+03 -0.25048E-01 -0.37409E-01 1984 0.682E-01 0.245E+00
DAV: 18 -0.444079686349E+03 0.23058E-01 -0.25061E-01 1880 0.441E-01 0.121E+00
DAV: 19 -0.444091226774E+03 -0.11540E-01 -0.23757E-02 1928 0.212E-01 0.795E-01
DAV: 20 -0.444094100545E+03 -0.28738E-02 -0.85052E-03 1912 0.163E-01 0.151E-01
DAV: 21 -0.444099410393E+03 -0.53098E-02 -0.50679E-03 2152 0.136E-01 0.456E-01
DAV: 22 -0.444100688563E+03 -0.12782E-02 -0.33416E-03 1856 0.751E-02 0.136E-01
DAV: 23 -0.444102579306E+03 -0.18907E-02 -0.18359E-03 1912 0.717E-02 0.198E-01
DAV: 24 -0.444104554201E+03 -0.19749E-02 -0.43492E-04 1792 0.378E-02 0.202E-01
DAV: 25 -0.444105132452E+03 -0.57825E-03 -0.51425E-04 1768 0.322E-02 0.544E-02
DAV: 26 -0.444105631172E+03 -0.49872E-03 -0.29611E-04 1824 0.251E-02 0.614E-02
DAV: 27 -0.444105693845E+03 -0.62673E-04 -0.40118E-05 1120 0.118E-02 0.293E-02
DAV: 28 -0.444105922980E+03 -0.22913E-03 -0.41841E-05 1496 0.142E-02 0.171E-02
DAV: 29 -0.444105971423E+03 -0.48444E-04 -0.14287E-05 1120 0.674E-03 0.258E-02
DAV: 30 -0.444105993240E+03 -0.21817E-04 -0.64731E-06 952 0.668E-03 0.106E-02
DAV: 31 -0.444106009066E+03 -0.15825E-04 -0.65123E-06 976 0.504E-03 0.776E-03
DAV: 32 -0.444106021435E+03 -0.12369E-04 -0.12217E-06 968 0.307E-03 0.361E-03
DAV: 33 -0.444106037183E+03 -0.15747E-04 -0.15012E-06 1000 0.294E-03 0.237E-03
DAV: 34 -0.444106040389E+03 -0.32060E-05 -0.30631E-07 936 0.138E-03
1 F= -.44410604E+03 E0= -.44408299E+03 d E =-.691610E-01