iterations/neb0_image01_iter59_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 0.208820507327E+04 0.20882E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141277355525E+03 -0.22295E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461750453613E+03 -0.32047E+03 -0.31684E+03 1896 0.107E+02
DAV: 4 -0.475296853487E+03 -0.13546E+02 -0.13318E+02 1944 0.227E+01
DAV: 5 -0.475836602581E+03 -0.53975E+00 -0.53939E+00 2128 0.394E+00 0.435E+01
DAV: 6 -0.458818801075E+03 0.17018E+02 -0.24115E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.449923566108E+03 0.88952E+01 -0.41582E+01 1756 0.140E+01 0.198E+01
DAV: 8 -0.445439263337E+03 0.44843E+01 -0.82584E+00 1800 0.708E+00 0.114E+01
DAV: 9 -0.446644702417E+03 -0.12054E+01 -0.26346E+01 2108 0.797E+00 0.101E+01
DAV: 10 -0.446110909449E+03 0.53379E+00 -0.14882E+00 1824 0.225E+00 0.909E+00
DAV: 11 -0.444926947719E+03 0.11840E+01 -0.17720E+00 1976 0.241E+00 0.581E+00
DAV: 12 -0.444742584531E+03 0.18436E+00 -0.56719E+00 2048 0.260E+00 0.118E+01
DAV: 13 -0.444534832532E+03 0.20775E+00 -0.96045E+00 1976 0.225E+00 0.378E+00
DAV: 14 -0.444522190765E+03 0.12642E-01 -0.11651E-01 1864 0.709E-01 0.345E+00
DAV: 15 -0.444396108782E+03 0.12608E+00 -0.20661E-02 1992 0.506E-01 0.134E+00
DAV: 16 -0.444403252901E+03 -0.71441E-02 -0.12900E-02 1856 0.347E-01 0.785E-01
DAV: 17 -0.444416145871E+03 -0.12893E-01 -0.99666E-02 2112 0.345E-01 0.703E-01
DAV: 18 -0.444420350802E+03 -0.42049E-02 -0.40872E-03 1904 0.167E-01 0.343E-01
DAV: 19 -0.444420417535E+03 -0.66733E-04 -0.14491E-03 1880 0.844E-02 0.181E-01
DAV: 20 -0.444421562524E+03 -0.11450E-02 -0.55902E-04 1928 0.635E-02 0.571E-02
DAV: 21 -0.444422562004E+03 -0.99948E-03 -0.23421E-04 1800 0.373E-02 0.681E-02
DAV: 22 -0.444423553198E+03 -0.99119E-03 -0.19070E-04 1960 0.377E-02 0.132E-01
DAV: 23 -0.444423587846E+03 -0.34648E-04 -0.15072E-04 1952 0.375E-02 0.254E-02
DAV: 24 -0.444423992160E+03 -0.40431E-03 -0.43357E-05 1672 0.163E-02 0.214E-02
DAV: 25 -0.444424484422E+03 -0.49226E-03 -0.97867E-05 1832 0.221E-02 0.413E-02
DAV: 26 -0.444424608998E+03 -0.12458E-03 -0.25364E-05 1464 0.168E-02 0.154E-02
DAV: 27 -0.444424675998E+03 -0.66999E-04 -0.25465E-05 1576 0.112E-02 0.101E-02
DAV: 28 -0.444424689787E+03 -0.13789E-04 -0.43846E-06 944 0.603E-03 0.717E-03
DAV: 29 -0.444424714478E+03 -0.24691E-04 -0.10646E-05 1128 0.863E-03 0.205E-02
DAV: 30 -0.444424723697E+03 -0.92183E-05 -0.22612E-06 992 0.412E-03
1 F= -.44442472E+03 E0= -.44441784E+03 d E =-.206625E-01