iterations/neb0_image01_iter62_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 0.208814163698E+04 0.20881E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141263588163E+03 -0.22294E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.461736227531E+03 -0.32047E+03 -0.31684E+03 1896 0.107E+02
DAV: 4 -0.475289360890E+03 -0.13553E+02 -0.13324E+02 1944 0.227E+01
DAV: 5 -0.475829251518E+03 -0.53989E+00 -0.53954E+00 2120 0.394E+00 0.435E+01
DAV: 6 -0.458772397796E+03 0.17057E+02 -0.24079E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.449965622701E+03 0.88068E+01 -0.41514E+01 1772 0.140E+01 0.199E+01
DAV: 8 -0.445456723226E+03 0.45089E+01 -0.83024E+00 1816 0.704E+00 0.114E+01
DAV: 9 -0.446648474367E+03 -0.11918E+01 -0.26318E+01 2116 0.798E+00 0.101E+01
DAV: 10 -0.446116422236E+03 0.53205E+00 -0.15048E+00 1832 0.227E+00 0.911E+00
DAV: 11 -0.444928094317E+03 0.11883E+01 -0.17962E+00 1968 0.242E+00 0.580E+00
DAV: 12 -0.444707924375E+03 0.22017E+00 -0.54157E+00 2024 0.257E+00 0.112E+01
DAV: 13 -0.444542723258E+03 0.16520E+00 -0.89381E+00 1968 0.224E+00 0.375E+00
DAV: 14 -0.444520474188E+03 0.22249E-01 -0.11831E-01 1864 0.702E-01 0.344E+00
DAV: 15 -0.444392765813E+03 0.12771E+00 -0.21510E-02 2008 0.522E-01 0.117E+00
DAV: 16 -0.444404736826E+03 -0.11971E-01 -0.13696E-02 1864 0.345E-01 0.802E-01
DAV: 17 -0.444417399226E+03 -0.12662E-01 -0.11581E-01 2096 0.357E-01 0.870E-01
DAV: 18 -0.444419855680E+03 -0.24565E-02 -0.44525E-03 1904 0.174E-01 0.438E-01
DAV: 19 -0.444419553333E+03 0.30235E-03 -0.16874E-03 1880 0.950E-02 0.225E-01
DAV: 20 -0.444420818704E+03 -0.12654E-02 -0.78391E-04 1928 0.750E-02 0.522E-02
DAV: 21 -0.444422024058E+03 -0.12054E-02 -0.34123E-04 1800 0.441E-02 0.898E-02
DAV: 22 -0.444422962900E+03 -0.93884E-03 -0.16586E-04 1944 0.337E-02 0.116E-01
DAV: 23 -0.444423140162E+03 -0.17726E-03 -0.17596E-04 1952 0.411E-02 0.250E-02
DAV: 24 -0.444423610142E+03 -0.46998E-03 -0.64500E-05 1832 0.229E-02 0.225E-02
DAV: 25 -0.444424032918E+03 -0.42278E-03 -0.68931E-05 1776 0.165E-02 0.332E-02
DAV: 26 -0.444424151638E+03 -0.11872E-03 -0.16941E-05 1464 0.120E-02 0.101E-02
DAV: 27 -0.444424209862E+03 -0.58224E-04 -0.19977E-05 1496 0.106E-02 0.132E-02
DAV: 28 -0.444424220267E+03 -0.10405E-04 -0.39387E-06 936 0.580E-03 0.717E-03
DAV: 29 -0.444424246825E+03 -0.26559E-04 -0.12854E-05 1240 0.944E-03 0.148E-02
DAV: 30 -0.444424254154E+03 -0.73288E-05 -0.21897E-06 952 0.441E-03
1 F= -.44442425E+03 E0= -.44441742E+03 d E =-.205172E-01