iterations/neb0_image04_iter29_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 0.209003938292E+04 0.20900E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.140078193616E+03 -0.22301E+04 -0.21381E+04 2128 0.262E+02
DAV: 3 -0.466284558575E+03 -0.32621E+03 -0.32282E+03 1880 0.108E+02
DAV: 4 -0.478508329560E+03 -0.12224E+02 -0.12175E+02 1968 0.222E+01
DAV: 5 -0.478936388453E+03 -0.42806E+00 -0.42784E+00 2112 0.368E+00 0.431E+01
DAV: 6 -0.447330897680E+03 0.31605E+02 -0.14609E+02 2040 0.314E+01 0.378E+01
DAV: 7 -0.454239639085E+03 -0.69087E+01 -0.29012E+02 1928 0.139E+01 0.208E+01
DAV: 8 -0.448186986392E+03 0.60527E+01 -0.83030E+00 1800 0.776E+00 0.127E+01
DAV: 9 -0.445802125207E+03 0.23849E+01 -0.18584E+01 2040 0.120E+01 0.102E+01
DAV: 10 -0.445001487286E+03 0.80064E+00 -0.36653E+00 1912 0.356E+00 0.102E+01
DAV: 11 -0.444171061869E+03 0.83043E+00 -0.29908E+00 1960 0.249E+00 0.355E+00
DAV: 12 -0.444319855812E+03 -0.14879E+00 -0.42512E+00 2032 0.242E+00 0.593E+00
DAV: 13 -0.444402805613E+03 -0.82950E-01 -0.33118E+00 2232 0.254E+00 0.765E+00
DAV: 14 -0.444138379804E+03 0.26443E+00 -0.44913E+00 1880 0.167E+00 0.492E+00
DAV: 15 -0.444079447144E+03 0.58933E-01 -0.11790E+00 1976 0.860E-01 0.490E+00
DAV: 16 -0.444010490176E+03 0.68957E-01 -0.98945E-01 2032 0.648E-01 0.263E+00
DAV: 17 -0.444037352044E+03 -0.26862E-01 -0.24216E-01 1912 0.462E-01 0.151E+00
DAV: 18 -0.444046447700E+03 -0.90957E-02 -0.28437E-02 1880 0.251E-01 0.162E+00
DAV: 19 -0.444051280990E+03 -0.48333E-02 -0.18918E-02 1968 0.193E-01 0.124E+00
DAV: 20 -0.444049529203E+03 0.17518E-02 -0.41642E-03 1976 0.165E-01 0.785E-01
DAV: 21 -0.444050904288E+03 -0.13751E-02 -0.61111E-03 2080 0.130E-01 0.624E-01
DAV: 22 -0.444052684334E+03 -0.17800E-02 -0.11708E-02 2200 0.140E-01 0.273E-01
DAV: 23 -0.444056328493E+03 -0.36442E-02 -0.92216E-04 1872 0.691E-02 0.237E-01
DAV: 24 -0.444058038919E+03 -0.17104E-02 -0.42558E-04 1880 0.353E-02 0.237E-01
DAV: 25 -0.444058951993E+03 -0.91307E-03 -0.19139E-04 1808 0.291E-02 0.201E-01
DAV: 26 -0.444059388818E+03 -0.43682E-03 -0.10172E-03 2000 0.357E-02 0.332E-02
DAV: 27 -0.444059707751E+03 -0.31893E-03 -0.64293E-05 1672 0.169E-02 0.396E-02
DAV: 28 -0.444059812000E+03 -0.10425E-03 -0.17259E-05 1240 0.889E-03 0.152E-02
DAV: 29 -0.444059914670E+03 -0.10267E-03 -0.18845E-05 1256 0.855E-03 0.121E-02
DAV: 30 -0.444059935044E+03 -0.20374E-04 -0.10688E-05 968 0.686E-03 0.887E-03
DAV: 31 -0.444059960944E+03 -0.25900E-04 -0.12774E-05 1080 0.682E-03 0.236E-02
DAV: 32 -0.444059965108E+03 -0.41639E-05 -0.12927E-05 976 0.735E-03
1 F= -.44405997E+03 E0= -.44403485E+03 d E =-.753492E-01