iterations/neb0_image02_iter38_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 0.209723161320E+04 0.20972E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139752917245E+03 -0.22370E+04 -0.21496E+04 2152 0.262E+02
DAV: 3 -0.462047592487E+03 -0.32229E+03 -0.31849E+03 1904 0.107E+02
DAV: 4 -0.475705713168E+03 -0.13658E+02 -0.13474E+02 1960 0.227E+01
DAV: 5 -0.476195673162E+03 -0.48996E+00 -0.48959E+00 2120 0.383E+00 0.434E+01
DAV: 6 -0.456591211638E+03 0.19604E+02 -0.19454E+02 2040 0.318E+01 0.409E+01
DAV: 7 -0.452309598316E+03 0.42816E+01 -0.42719E+01 1776 0.142E+01 0.219E+01
DAV: 8 -0.445343564569E+03 0.69660E+01 -0.97982E+00 1816 0.791E+00 0.112E+01
DAV: 9 -0.446248015846E+03 -0.90445E+00 -0.34834E+01 1960 0.802E+00 0.985E+00
DAV: 10 -0.445580620847E+03 0.66739E+00 -0.14101E+00 1856 0.245E+00 0.850E+00
DAV: 11 -0.444279903128E+03 0.13007E+01 -0.24978E+00 2056 0.365E+00 0.209E+00
DAV: 12 -0.445051033076E+03 -0.77113E+00 -0.42658E+00 1888 0.174E+00 0.136E+01
DAV: 13 -0.444162043207E+03 0.88899E+00 -0.27394E+00 2112 0.158E+00 0.193E+00
DAV: 14 -0.444345565291E+03 -0.18352E+00 -0.12095E-01 1920 0.815E-01 0.125E+00
DAV: 15 -0.444346263999E+03 -0.69871E-03 -0.10744E-02 1936 0.284E-01 0.152E+00
DAV: 16 -0.444331424233E+03 0.14840E-01 -0.82328E-02 1944 0.274E-01 0.299E-01
DAV: 17 -0.444341758252E+03 -0.10334E-01 -0.37322E-03 1864 0.171E-01 0.415E-01
DAV: 18 -0.444343840661E+03 -0.20824E-02 -0.15199E-03 1832 0.922E-02 0.387E-01
DAV: 19 -0.444344933443E+03 -0.10928E-02 -0.65463E-04 1936 0.564E-02 0.271E-01
DAV: 20 -0.444346696950E+03 -0.17635E-02 -0.36291E-04 1952 0.632E-02 0.211E-01
DAV: 21 -0.444348441078E+03 -0.17441E-02 -0.87539E-04 2136 0.975E-02 0.481E-02
DAV: 22 -0.444349203864E+03 -0.76279E-03 -0.38755E-04 1928 0.430E-02 0.814E-02
DAV: 23 -0.444349461654E+03 -0.25779E-03 -0.32971E-05 1552 0.132E-02 0.764E-02
DAV: 24 -0.444349708319E+03 -0.24667E-03 -0.73193E-05 1888 0.263E-02 0.634E-02
DAV: 25 -0.444349842880E+03 -0.13456E-03 -0.19548E-05 1328 0.126E-02 0.425E-02
DAV: 26 -0.444349909380E+03 -0.66500E-04 -0.20322E-05 1376 0.104E-02 0.253E-02
DAV: 27 -0.444349946689E+03 -0.37309E-04 -0.43232E-06 1040 0.927E-03 0.154E-02
DAV: 28 -0.444349971586E+03 -0.24897E-04 -0.11796E-05 1080 0.903E-03 0.494E-03
DAV: 29 -0.444349982322E+03 -0.10736E-04 -0.26421E-06 936 0.405E-03 0.407E-03
DAV: 30 -0.444349999044E+03 -0.16723E-04 -0.12284E-06 1048 0.261E-03 0.544E-03
DAV: 31 -0.444350002288E+03 -0.32434E-05 -0.43133E-07 936 0.188E-03
1 F= -.44435000E+03 E0= -.44434381E+03 d E =-.185838E-01