iterations/neb0_image03_iter30_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 0.209838104142E+04 0.20984E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137635274395E+03 -0.22360E+04 -0.21457E+04 2152 0.262E+02
DAV: 3 -0.464018232715E+03 -0.32638E+03 -0.32121E+03 1872 0.108E+02
DAV: 4 -0.477143615689E+03 -0.13125E+02 -0.13076E+02 1976 0.229E+01
DAV: 5 -0.477607752042E+03 -0.46414E+00 -0.46391E+00 2096 0.382E+00 0.432E+01
DAV: 6 -0.451974024439E+03 0.25634E+02 -0.14671E+02 2016 0.317E+01 0.418E+01
DAV: 7 -0.454165074541E+03 -0.21911E+01 -0.13012E+02 1792 0.146E+01 0.219E+01
DAV: 8 -0.447740922621E+03 0.64242E+01 -0.98477E+00 1872 0.888E+00 0.136E+01
DAV: 9 -0.446604147766E+03 0.11368E+01 -0.15730E+01 2056 0.119E+01 0.119E+01
DAV: 10 -0.445855637190E+03 0.74851E+00 -0.47649E+00 1840 0.370E+00 0.109E+01
DAV: 11 -0.445306185721E+03 0.54945E+00 -0.38457E-01 1984 0.191E+00 0.981E+00
DAV: 12 -0.444531856582E+03 0.77433E+00 -0.75896E+00 2112 0.424E+00 0.105E+01
DAV: 13 -0.444495336262E+03 0.36520E-01 -0.64735E+00 2032 0.364E+00 0.625E+00
DAV: 14 -0.444030769956E+03 0.46457E+00 -0.96043E-01 1880 0.150E+00 0.158E+00
DAV: 15 -0.444055812764E+03 -0.25043E-01 -0.95144E-02 1920 0.679E-01 0.207E+00
DAV: 16 -0.444073829916E+03 -0.18017E-01 -0.22313E-02 1896 0.343E-01 0.179E+00
DAV: 17 -0.444065818544E+03 0.80114E-02 -0.81441E-03 2016 0.229E-01 0.114E+00
DAV: 18 -0.444065448326E+03 0.37022E-03 -0.40413E-03 1928 0.183E-01 0.426E-01
DAV: 19 -0.444072394661E+03 -0.69463E-02 -0.38988E-03 1888 0.138E-01 0.428E-01
DAV: 20 -0.444075433423E+03 -0.30388E-02 -0.14441E-03 1888 0.119E-01 0.635E-01
DAV: 21 -0.444073102855E+03 0.23306E-02 -0.52010E-04 1816 0.760E-02 0.826E-02
DAV: 22 -0.444075679532E+03 -0.25767E-02 -0.22796E-04 1872 0.312E-02 0.306E-02
DAV: 23 -0.444078143472E+03 -0.24639E-02 -0.56169E-04 1792 0.502E-02 0.752E-02
DAV: 24 -0.444078326088E+03 -0.18262E-03 -0.88987E-05 1936 0.235E-02 0.386E-02
DAV: 25 -0.444078648662E+03 -0.32257E-03 -0.44617E-05 1528 0.169E-02 0.691E-02
DAV: 26 -0.444078852479E+03 -0.20382E-03 -0.66810E-05 1824 0.246E-02 0.543E-02
DAV: 27 -0.444078972126E+03 -0.11965E-03 -0.23039E-05 1336 0.121E-02 0.194E-02
DAV: 28 -0.444079034564E+03 -0.62438E-04 -0.12442E-05 1248 0.103E-02 0.103E-02
DAV: 29 -0.444079058169E+03 -0.23605E-04 -0.85977E-06 936 0.805E-03 0.882E-03
DAV: 30 -0.444079080409E+03 -0.22239E-04 -0.31061E-06 1008 0.482E-03 0.385E-03
DAV: 31 -0.444079097067E+03 -0.16658E-04 -0.23287E-06 952 0.405E-03 0.219E-03
DAV: 32 -0.444079106542E+03 -0.94756E-05 -0.75067E-07 944 0.198E-03
1 F= -.44407911E+03 E0= -.44406546E+03 d E =-.409496E-01