iterations/neb0_image07_iter62_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 0.210041207504E+04 0.21004E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139702918862E+03 -0.22401E+04 -0.21512E+04 2152 0.262E+02
DAV: 3 -0.465008838115E+03 -0.32531E+03 -0.32096E+03 1864 0.107E+02
DAV: 4 -0.477823159391E+03 -0.12814E+02 -0.12768E+02 1976 0.228E+01
DAV: 5 -0.478282271822E+03 -0.45911E+00 -0.45886E+00 2088 0.377E+00 0.428E+01
DAV: 6 -0.448447359837E+03 0.29835E+02 -0.14699E+02 2032 0.315E+01 0.270E+01
DAV: 7 -0.446017685895E+03 0.24297E+01 -0.24651E+01 1888 0.115E+01 0.124E+01
DAV: 8 -0.446677564577E+03 -0.65988E+00 -0.13925E+01 2144 0.633E+00 0.837E+00
DAV: 9 -0.445593849932E+03 0.10837E+01 -0.51856E+00 2208 0.444E+00 0.572E+00
DAV: 10 -0.445974635403E+03 -0.38079E+00 -0.79532E+00 2360 0.418E+00 0.484E+00
DAV: 11 -0.445528485051E+03 0.44615E+00 -0.37851E-01 1896 0.200E+00 0.333E+00
DAV: 12 -0.445464088412E+03 0.64397E-01 -0.16640E+00 2112 0.164E+00 0.288E+00
DAV: 13 -0.445439690802E+03 0.24398E-01 -0.32234E-01 1888 0.734E-01 0.753E-01
DAV: 14 -0.445453080475E+03 -0.13390E-01 -0.12934E-02 1824 0.273E-01 0.145E+00
DAV: 15 -0.445514955034E+03 -0.61875E-01 -0.18950E-01 1920 0.499E-01 0.371E+00
DAV: 16 -0.445434343410E+03 0.80612E-01 -0.72861E-01 2536 0.716E-01 0.839E-01
DAV: 17 -0.445454212954E+03 -0.19870E-01 -0.15792E-02 1872 0.273E-01 0.855E-01
DAV: 18 -0.445452722226E+03 0.14907E-02 -0.14416E-03 1968 0.918E-02 0.763E-01
DAV: 19 -0.445451888359E+03 0.83387E-03 -0.34580E-04 1832 0.406E-02 0.684E-01
DAV: 20 -0.445450859329E+03 0.10290E-02 -0.69599E-03 2064 0.198E-01 0.100E-01
DAV: 21 -0.445452559037E+03 -0.16997E-02 -0.10487E-03 1872 0.775E-02 0.558E-02
DAV: 22 -0.445454783539E+03 -0.22245E-02 -0.77986E-04 2288 0.815E-02 0.368E-01
DAV: 23 -0.445455226283E+03 -0.44274E-03 -0.40757E-04 1864 0.504E-02 0.215E-01
DAV: 24 -0.445456360310E+03 -0.11340E-02 -0.27442E-04 1816 0.366E-02 0.236E-01
DAV: 25 -0.445456511961E+03 -0.15165E-03 -0.20844E-04 2144 0.480E-02 0.853E-02
DAV: 26 -0.445456709365E+03 -0.19740E-03 -0.98630E-05 1752 0.239E-02 0.473E-02
DAV: 27 -0.445456828707E+03 -0.11934E-03 -0.22686E-05 1344 0.133E-02 0.237E-02
DAV: 28 -0.445456950214E+03 -0.12151E-03 -0.15688E-05 1256 0.135E-02 0.134E-02
DAV: 29 -0.445457000923E+03 -0.50709E-04 -0.18575E-05 1200 0.105E-02 0.155E-02
DAV: 30 -0.445457007993E+03 -0.70704E-05 -0.30556E-06 936 0.573E-03
1 F= -.44545701E+03 E0= -.44544181E+03 d E =-.455894E-01