iterations/neb0_image08_iter23_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 0.210032468094E+04 0.21003E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139803401508E+03 -0.22401E+04 -0.21507E+04 2144 0.262E+02
DAV: 3 -0.466165107775E+03 -0.32636E+03 -0.32300E+03 1864 0.108E+02
DAV: 4 -0.478651066441E+03 -0.12486E+02 -0.12437E+02 1952 0.225E+01
DAV: 5 -0.479112595732E+03 -0.46153E+00 -0.46130E+00 2168 0.380E+00 0.427E+01
DAV: 6 -0.447601830274E+03 0.31511E+02 -0.14480E+02 1992 0.310E+01 0.269E+01
DAV: 7 -0.447794159347E+03 -0.19233E+00 -0.41979E+01 1848 0.114E+01 0.135E+01
DAV: 8 -0.447001068387E+03 0.79309E+00 -0.79699E+00 2488 0.806E+00 0.994E+00
DAV: 9 -0.445937350442E+03 0.10637E+01 -0.92378E+00 2104 0.459E+00 0.570E+00
DAV: 10 -0.446232968113E+03 -0.29562E+00 -0.42964E+00 2152 0.443E+00 0.647E+00
DAV: 11 -0.445561345989E+03 0.67162E+00 -0.11989E+00 1928 0.210E+00 0.251E+00
DAV: 12 -0.445590664142E+03 -0.29318E-01 -0.96467E-01 2000 0.134E+00 0.291E+00
DAV: 13 -0.445581260518E+03 0.94036E-02 -0.80035E-01 2016 0.851E-01 0.197E+00
DAV: 14 -0.445608783735E+03 -0.27523E-01 -0.75607E-01 2008 0.649E-01 0.290E+00
DAV: 15 -0.445565819119E+03 0.42965E-01 -0.81728E-02 1984 0.444E-01 0.829E-01
DAV: 16 -0.445569540950E+03 -0.37218E-02 -0.25413E-02 1944 0.267E-01 0.381E-01
DAV: 17 -0.445572988797E+03 -0.34478E-02 -0.78955E-03 1832 0.155E-01 0.260E-01
DAV: 18 -0.445574255047E+03 -0.12663E-02 -0.18300E-03 1904 0.961E-02 0.238E-01
DAV: 19 -0.445575729715E+03 -0.14747E-02 -0.61465E-04 2240 0.994E-02 0.859E-02
DAV: 20 -0.445578202833E+03 -0.24731E-02 -0.24287E-03 2000 0.122E-01 0.240E-01
DAV: 21 -0.445579123419E+03 -0.92059E-03 -0.97499E-04 1936 0.753E-02 0.294E-02
DAV: 22 -0.445579908929E+03 -0.78551E-03 -0.35334E-04 1792 0.394E-02 0.228E-02
DAV: 23 -0.445580428284E+03 -0.51935E-03 -0.91208E-05 1768 0.202E-02 0.834E-02
DAV: 24 -0.445580549857E+03 -0.12157E-03 -0.47570E-05 1608 0.209E-02 0.106E-02
DAV: 25 -0.445580643452E+03 -0.93595E-04 -0.14227E-05 1120 0.891E-03 0.133E-02
DAV: 26 -0.445580716049E+03 -0.72597E-04 -0.14786E-05 1144 0.632E-03 0.126E-02
DAV: 27 -0.445580738289E+03 -0.22240E-04 -0.22892E-06 936 0.345E-03 0.426E-03
DAV: 28 -0.445580775306E+03 -0.37017E-04 -0.34960E-06 1048 0.408E-03 0.577E-03
DAV: 29 -0.445580783176E+03 -0.78699E-05 -0.12873E-06 936 0.235E-03
1 F= -.44558078E+03 E0= -.44555568E+03 d E =-.753194E-01