iterations/neb0_image03_iter54_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 0.209807455310E+04 0.20981E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.139271608748E+03 -0.22373E+04 -0.21476E+04 2160 0.262E+02
DAV: 3 -0.463933629965E+03 -0.32466E+03 -0.31912E+03 1928 0.107E+02
DAV: 4 -0.476858151379E+03 -0.12925E+02 -0.12880E+02 1952 0.227E+01
DAV: 5 -0.477315700188E+03 -0.45755E+00 -0.45733E+00 2136 0.377E+00 0.432E+01
DAV: 6 -0.453309629123E+03 0.24006E+02 -0.14766E+02 2024 0.318E+01 0.423E+01
DAV: 7 -0.453789421911E+03 -0.47979E+00 -0.83417E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447321744305E+03 0.64677E+01 -0.10015E+01 1872 0.845E+00 0.135E+01
DAV: 9 -0.447006501088E+03 0.31524E+00 -0.20263E+01 2016 0.109E+01 0.118E+01
DAV: 10 -0.446208284869E+03 0.79822E+00 -0.39564E+00 1824 0.346E+00 0.109E+01
DAV: 11 -0.445526607657E+03 0.68168E+00 -0.46948E-01 1928 0.189E+00 0.944E+00
DAV: 12 -0.444955768733E+03 0.57084E+00 -0.48690E+00 2112 0.449E+00 0.112E+01
DAV: 13 -0.444526846348E+03 0.42892E+00 -0.12393E+00 1984 0.381E+00 0.584E+00
DAV: 14 -0.444206963518E+03 0.31988E+00 -0.25494E-01 1816 0.115E+00 0.322E+00
DAV: 15 -0.444174603084E+03 0.32360E-01 -0.74125E-01 1896 0.955E-01 0.302E+00
DAV: 16 -0.444201528666E+03 -0.26926E-01 -0.58797E-02 2056 0.785E-01 0.177E+00
DAV: 17 -0.444183463591E+03 0.18065E-01 -0.18307E-02 1816 0.374E-01 0.683E-01
DAV: 18 -0.444198515015E+03 -0.15051E-01 -0.73023E-03 1936 0.198E-01 0.145E+00
DAV: 19 -0.444189016076E+03 0.94989E-02 -0.82119E-03 2000 0.295E-01 0.760E-01
DAV: 20 -0.444192529374E+03 -0.35133E-02 -0.30193E-03 1832 0.125E-01 0.341E-01
DAV: 21 -0.444193229045E+03 -0.69967E-03 -0.46659E-04 2008 0.557E-02 0.120E-01
DAV: 22 -0.444195392048E+03 -0.21630E-02 -0.35958E-04 1920 0.600E-02 0.197E-01
DAV: 23 -0.444196733351E+03 -0.13413E-02 -0.22966E-04 1864 0.416E-02 0.214E-01
DAV: 24 -0.444197265487E+03 -0.53214E-03 -0.21581E-04 1880 0.362E-02 0.588E-02
DAV: 25 -0.444198061834E+03 -0.79635E-03 -0.94815E-05 1728 0.257E-02 0.236E-02
DAV: 26 -0.444198307270E+03 -0.24544E-03 -0.42555E-05 1720 0.173E-02 0.399E-02
DAV: 27 -0.444198401966E+03 -0.94696E-04 -0.96440E-06 1264 0.960E-03 0.418E-02
DAV: 28 -0.444198450527E+03 -0.48561E-04 -0.10911E-05 1336 0.814E-03 0.133E-02
DAV: 29 -0.444198474089E+03 -0.23563E-04 -0.17186E-06 936 0.350E-03 0.657E-03
DAV: 30 -0.444198507817E+03 -0.33727E-04 -0.17920E-06 1064 0.284E-03 0.359E-03
DAV: 31 -0.444198515215E+03 -0.73977E-05 -0.41129E-07 936 0.197E-03
1 F= -.44419852E+03 E0= -.44418735E+03 d E =-.334921E-01