iterations/neb0_image09_iter57_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 0.209687387590E+04 0.20969E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142966564505E+03 -0.22398E+04 -0.21497E+04 2160 0.262E+02
DAV: 3 -0.466440196116E+03 -0.32347E+03 -0.32016E+03 1832 0.108E+02
DAV: 4 -0.479200002738E+03 -0.12760E+02 -0.12709E+02 1960 0.227E+01
DAV: 5 -0.479669131028E+03 -0.46913E+00 -0.46889E+00 2120 0.383E+00 0.427E+01
DAV: 6 -0.447158734364E+03 0.32510E+02 -0.14240E+02 2016 0.310E+01 0.271E+01
DAV: 7 -0.449080970852E+03 -0.19222E+01 -0.75037E+01 1936 0.111E+01 0.137E+01
DAV: 8 -0.446283232206E+03 0.27977E+01 -0.82540E+00 2464 0.799E+00 0.869E+00
DAV: 9 -0.446850486213E+03 -0.56725E+00 -0.15381E+01 1904 0.392E+00 0.491E+00
DAV: 10 -0.446009994490E+03 0.84049E+00 -0.67851E-01 2152 0.391E+00 0.323E+00
DAV: 11 -0.446135219769E+03 -0.12523E+00 -0.24240E+00 1912 0.162E+00 0.412E+00
DAV: 12 -0.446017016707E+03 0.11820E+00 -0.19851E+00 2008 0.127E+00 0.303E+00
DAV: 13 -0.446048174295E+03 -0.31158E-01 -0.14822E+00 2152 0.916E-01 0.337E+00
DAV: 14 -0.445969283768E+03 0.78891E-01 -0.42472E-01 2024 0.656E-01 0.459E-01
DAV: 15 -0.445977695156E+03 -0.84114E-02 -0.16504E-02 1976 0.249E-01 0.486E-01
DAV: 16 -0.445977772805E+03 -0.77649E-04 -0.51277E-03 1888 0.137E-01 0.966E-02
DAV: 17 -0.445979897107E+03 -0.21243E-02 -0.15577E-03 1896 0.860E-02 0.118E-01
DAV: 18 -0.445983376841E+03 -0.34797E-02 -0.80311E-03 2048 0.804E-02 0.440E-01
DAV: 19 -0.445985517258E+03 -0.21404E-02 -0.15608E-02 2216 0.135E-01 0.420E-01
DAV: 20 -0.445986148661E+03 -0.63140E-03 -0.13847E-03 1840 0.636E-02 0.673E-02
DAV: 21 -0.445987279797E+03 -0.11311E-02 -0.46706E-04 1816 0.467E-02 0.351E-02
DAV: 22 -0.445987786196E+03 -0.50640E-03 -0.26890E-04 1896 0.321E-02 0.688E-02
DAV: 23 -0.445988007467E+03 -0.22127E-03 -0.42505E-05 1592 0.162E-02 0.435E-02
DAV: 24 -0.445988161351E+03 -0.15388E-03 -0.70256E-05 1712 0.186E-02 0.815E-03
DAV: 25 -0.445988293953E+03 -0.13260E-03 -0.10599E-05 1160 0.850E-03 0.912E-03
DAV: 26 -0.445988388488E+03 -0.94535E-04 -0.87613E-06 1176 0.579E-03 0.792E-03
DAV: 27 -0.445988409037E+03 -0.20550E-04 -0.33100E-06 936 0.361E-03 0.885E-03
DAV: 28 -0.445988443246E+03 -0.34208E-04 -0.37340E-06 1032 0.501E-03 0.354E-03
DAV: 29 -0.445988455873E+03 -0.12628E-04 -0.13810E-06 944 0.252E-03 0.709E-03
DAV: 30 -0.445988459915E+03 -0.40411E-05 -0.11397E-06 936 0.292E-03
1 F= -.44598846E+03 E0= -.44596214E+03 d E =-.789662E-01