iterations/neb0_image07_iter22_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 0.209918547226E+04 0.20992E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.138567347419E+03 -0.22378E+04 -0.21495E+04 2152 0.262E+02
DAV: 3 -0.464406418885E+03 -0.32584E+03 -0.32123E+03 1864 0.107E+02
DAV: 4 -0.477423370210E+03 -0.13017E+02 -0.12968E+02 1968 0.229E+01
DAV: 5 -0.477902758688E+03 -0.47939E+00 -0.47910E+00 2096 0.385E+00 0.428E+01
DAV: 6 -0.448083273767E+03 0.29819E+02 -0.14761E+02 2024 0.317E+01 0.270E+01
DAV: 7 -0.445606526338E+03 0.24767E+01 -0.24284E+01 1832 0.115E+01 0.123E+01
DAV: 8 -0.446010335042E+03 -0.40381E+00 -0.97843E+00 2128 0.644E+00 0.814E+00
DAV: 9 -0.445517900990E+03 0.49243E+00 -0.74509E+00 2152 0.457E+00 0.807E+00
DAV: 10 -0.445622267566E+03 -0.10437E+00 -0.64034E+00 2456 0.463E+00 0.494E+00
DAV: 11 -0.445149626628E+03 0.47264E+00 -0.53266E-01 1920 0.192E+00 0.333E+00
DAV: 12 -0.445049859524E+03 0.99767E-01 -0.79967E-01 2080 0.141E+00 0.921E-01
DAV: 13 -0.445065259657E+03 -0.15400E-01 -0.54320E-02 1864 0.555E-01 0.633E-01
DAV: 14 -0.445119976949E+03 -0.54717E-01 -0.33295E-01 2384 0.496E-01 0.328E+00
DAV: 15 -0.445055818801E+03 0.64158E-01 -0.33450E-01 2376 0.536E-01 0.384E-01
DAV: 16 -0.445078287904E+03 -0.22469E-01 -0.28801E-02 1912 0.374E-01 0.104E+00
DAV: 17 -0.445072263417E+03 0.60245E-02 -0.40157E-03 1896 0.204E-01 0.510E-01
DAV: 18 -0.445072052700E+03 0.21072E-03 -0.26464E-03 1840 0.109E-01 0.284E-01
DAV: 19 -0.445072594837E+03 -0.54214E-03 -0.58718E-04 2128 0.574E-02 0.119E-01
DAV: 20 -0.445074870025E+03 -0.22752E-02 -0.11759E-03 1896 0.873E-02 0.400E-02
DAV: 21 -0.445078029081E+03 -0.31591E-02 -0.15142E-03 2080 0.897E-02 0.380E-01
DAV: 22 -0.445077460655E+03 0.56843E-03 -0.24733E-04 1840 0.411E-02 0.235E-01
DAV: 23 -0.445078157411E+03 -0.69676E-03 -0.28993E-04 1896 0.432E-02 0.165E-01
DAV: 24 -0.445079155642E+03 -0.99823E-03 -0.17437E-04 1848 0.316E-02 0.119E-01
DAV: 25 -0.445079546910E+03 -0.39127E-03 -0.27681E-04 1912 0.450E-02 0.497E-02
DAV: 26 -0.445079669208E+03 -0.12230E-03 -0.68272E-05 1752 0.217E-02 0.375E-02
DAV: 27 -0.445079704501E+03 -0.35293E-04 -0.12632E-05 1016 0.885E-03 0.215E-02
DAV: 28 -0.445079763974E+03 -0.59473E-04 -0.78063E-06 1144 0.700E-03 0.182E-02
DAV: 29 -0.445079797639E+03 -0.33665E-04 -0.44822E-06 1024 0.484E-03 0.101E-02
DAV: 30 -0.445079815204E+03 -0.17566E-04 -0.27110E-06 944 0.416E-03 0.474E-03
DAV: 31 -0.445079824992E+03 -0.97878E-05 -0.19731E-06 944 0.353E-03
1 F= -.44507982E+03 E0= -.44506389E+03 d E =-.478182E-01