iterations/neb0_image07_iter35_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 0.210285791353E+04 0.21029E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138514186992E+03 -0.22414E+04 -0.21525E+04 2152 0.262E+02
DAV: 3 -0.464439802868E+03 -0.32593E+03 -0.32105E+03 1872 0.108E+02
DAV: 4 -0.477259606089E+03 -0.12820E+02 -0.12774E+02 1952 0.228E+01
DAV: 5 -0.477727602065E+03 -0.46800E+00 -0.46772E+00 2104 0.382E+00 0.430E+01
DAV: 6 -0.448446228661E+03 0.29281E+02 -0.14763E+02 2024 0.319E+01 0.272E+01
DAV: 7 -0.445757677811E+03 0.26886E+01 -0.24591E+01 1848 0.116E+01 0.126E+01
DAV: 8 -0.446204725625E+03 -0.44705E+00 -0.11038E+01 2024 0.647E+00 0.972E+00
DAV: 9 -0.446359722322E+03 -0.15500E+00 -0.61893E+00 2408 0.700E+00 0.662E+00
DAV: 10 -0.446029595348E+03 0.33013E+00 -0.11941E+00 1800 0.222E+00 0.552E+00
DAV: 11 -0.445285204954E+03 0.74439E+00 -0.71940E-01 2288 0.246E+00 0.300E+00
DAV: 12 -0.445226391137E+03 0.58814E-01 -0.10743E+00 1992 0.155E+00 0.142E+00
DAV: 13 -0.445245176252E+03 -0.18785E-01 -0.65405E-02 1888 0.640E-01 0.954E-01
DAV: 14 -0.445236458495E+03 0.87178E-02 -0.12228E-02 1864 0.260E-01 0.377E-01
DAV: 15 -0.445244899875E+03 -0.84414E-02 -0.16158E-02 1912 0.276E-01 0.710E-01
DAV: 16 -0.445242634864E+03 0.22650E-02 -0.21083E-03 1920 0.173E-01 0.456E-01
DAV: 17 -0.445243163257E+03 -0.52839E-03 -0.35628E-03 1968 0.181E-01 0.135E-01
DAV: 18 -0.445244028970E+03 -0.86571E-03 -0.98515E-04 1936 0.836E-02 0.976E-02
DAV: 19 -0.445246401323E+03 -0.23724E-02 -0.10861E-03 2016 0.108E-01 0.880E-02
DAV: 20 -0.445247599894E+03 -0.11986E-02 -0.34783E-04 1896 0.429E-02 0.580E-02
DAV: 21 -0.445247952184E+03 -0.35229E-03 -0.23159E-04 1920 0.471E-02 0.561E-02
DAV: 22 -0.445249120435E+03 -0.11683E-02 -0.25886E-04 1808 0.328E-02 0.766E-02
DAV: 23 -0.445249709672E+03 -0.58924E-03 -0.75332E-05 1560 0.174E-02 0.780E-02
DAV: 24 -0.445249969848E+03 -0.26018E-03 -0.13220E-04 1968 0.430E-02 0.640E-02
DAV: 25 -0.445249997769E+03 -0.27921E-04 -0.58244E-05 1616 0.198E-02 0.136E-02
DAV: 26 -0.445250041220E+03 -0.43452E-04 -0.84825E-06 1104 0.640E-03 0.388E-03
DAV: 27 -0.445250070610E+03 -0.29389E-04 -0.21195E-06 1016 0.353E-03 0.549E-03
DAV: 28 -0.445250091014E+03 -0.20405E-04 -0.16295E-06 976 0.357E-03 0.495E-03
DAV: 29 -0.445250101002E+03 -0.99876E-05 -0.82341E-07 944 0.201E-03
1 F= -.44525010E+03 E0= -.44523706E+03 d E =-.391231E-01