iterations/neb0_image02_iter5_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 0.208972649145E+04 0.20897E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140387232891E+03 -0.22301E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.462600655697E+03 -0.32221E+03 -0.31718E+03 1920 0.107E+02
DAV: 4 -0.475981439740E+03 -0.13381E+02 -0.13325E+02 1960 0.228E+01
DAV: 5 -0.476441388341E+03 -0.45995E+00 -0.45964E+00 2152 0.377E+00 0.434E+01
DAV: 6 -0.454413920618E+03 0.22027E+02 -0.14896E+02 2048 0.319E+01 0.409E+01
DAV: 7 -0.452980975250E+03 0.14329E+01 -0.41959E+01 1792 0.143E+01 0.219E+01
DAV: 8 -0.446136311484E+03 0.68447E+01 -0.93185E+00 1888 0.851E+00 0.134E+01
DAV: 9 -0.447543039090E+03 -0.14067E+01 -0.17084E+01 2120 0.113E+01 0.150E+01
DAV: 10 -0.446261794122E+03 0.12812E+01 -0.36901E+00 1872 0.347E+00 0.110E+01
DAV: 11 -0.446027636795E+03 0.23416E+00 -0.19687E-01 1920 0.982E-01 0.102E+01
DAV: 12 -0.445359718734E+03 0.66792E+00 -0.34793E-01 1936 0.135E+00 0.813E+00
DAV: 13 -0.444269818051E+03 0.10899E+01 -0.33989E+00 1888 0.391E+00 0.439E+00
DAV: 14 -0.444254234327E+03 0.15584E-01 -0.93528E-01 1856 0.158E+00 0.334E+00
DAV: 15 -0.444194744886E+03 0.59489E-01 -0.41532E-02 2000 0.462E-01 0.303E+00
DAV: 16 -0.444101367148E+03 0.93378E-01 -0.15155E-02 2176 0.468E-01 0.145E+00
DAV: 17 -0.444087719483E+03 0.13648E-01 -0.13389E-02 1960 0.351E-01 0.112E+00
DAV: 18 -0.444080430016E+03 0.72895E-02 -0.63040E-02 2272 0.791E-01 0.258E+00
DAV: 19 -0.444062989139E+03 0.17441E-01 -0.21444E-02 1888 0.311E-01 0.168E+00
DAV: 20 -0.444056776779E+03 0.62124E-02 -0.36284E-03 2088 0.159E-01 0.578E-01
DAV: 21 -0.444071350597E+03 -0.14574E-01 -0.24952E-03 2000 0.155E-01 0.985E-01
DAV: 22 -0.444066717627E+03 0.46330E-02 -0.17303E-03 1912 0.126E-01 0.279E-01
DAV: 23 -0.444071371650E+03 -0.46540E-02 -0.84231E-04 1912 0.707E-02 0.147E-01
DAV: 24 -0.444072345490E+03 -0.97384E-03 -0.67974E-04 1920 0.712E-02 0.207E-01
DAV: 25 -0.444072621107E+03 -0.27562E-03 -0.30272E-04 1992 0.571E-02 0.733E-02
DAV: 26 -0.444073018206E+03 -0.39710E-03 -0.12254E-04 1736 0.250E-02 0.373E-02
DAV: 27 -0.444073451942E+03 -0.43374E-03 -0.53022E-05 1680 0.164E-02 0.169E-02
DAV: 28 -0.444073922438E+03 -0.47050E-03 -0.47885E-05 1688 0.143E-02 0.160E-02
DAV: 29 -0.444074108115E+03 -0.18568E-03 -0.16795E-05 1376 0.106E-02 0.128E-02
DAV: 30 -0.444074232699E+03 -0.12458E-03 -0.18956E-05 1344 0.118E-02 0.222E-02
DAV: 31 -0.444074295821E+03 -0.63122E-04 -0.89493E-06 1272 0.696E-03 0.112E-02
DAV: 32 -0.444074317956E+03 -0.22135E-04 -0.36155E-06 968 0.471E-03 0.105E-02
DAV: 33 -0.444074332750E+03 -0.14794E-04 -0.16194E-06 1032 0.307E-03 0.285E-03
DAV: 34 -0.444074345448E+03 -0.12698E-04 -0.13539E-06 960 0.265E-03 0.384E-03
DAV: 35 -0.444074352910E+03 -0.74617E-05 -0.71461E-07 928 0.183E-03
1 F= -.44407435E+03 E0= -.44406545E+03 d E =-.267182E-01