iterations/neb0_image09_iter59_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 0.209671371330E+04 0.20967E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.140692212996E+03 -0.22374E+04 -0.21461E+04 2136 0.262E+02
DAV: 3 -0.466256670570E+03 -0.32556E+03 -0.32210E+03 1848 0.108E+02
DAV: 4 -0.479185950206E+03 -0.12929E+02 -0.12877E+02 1960 0.228E+01
DAV: 5 -0.479659674685E+03 -0.47372E+00 -0.47347E+00 2104 0.383E+00 0.427E+01
DAV: 6 -0.447142440187E+03 0.32517E+02 -0.14245E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449087044709E+03 -0.19446E+01 -0.75428E+01 1936 0.111E+01 0.137E+01
DAV: 8 -0.446257125124E+03 0.28299E+01 -0.81103E+00 2448 0.802E+00 0.861E+00
DAV: 9 -0.446833513368E+03 -0.57639E+00 -0.14936E+01 1896 0.391E+00 0.483E+00
DAV: 10 -0.446004892731E+03 0.82862E+00 -0.61720E-01 2120 0.386E+00 0.319E+00
DAV: 11 -0.446137520474E+03 -0.13263E+00 -0.24369E+00 1920 0.162E+00 0.414E+00
DAV: 12 -0.446016830860E+03 0.12069E+00 -0.20216E+00 2016 0.128E+00 0.312E+00
DAV: 13 -0.446060833331E+03 -0.44002E-01 -0.16821E+00 2216 0.966E-01 0.365E+00
DAV: 14 -0.445964108428E+03 0.96725E-01 -0.40337E-01 2056 0.673E-01 0.365E-01
DAV: 15 -0.445972820761E+03 -0.87123E-02 -0.17712E-02 1976 0.253E-01 0.297E-01
DAV: 16 -0.445973862907E+03 -0.10421E-02 -0.45568E-03 1856 0.135E-01 0.110E-01
DAV: 17 -0.445975789905E+03 -0.19270E-02 -0.15533E-03 1920 0.888E-02 0.929E-02
DAV: 18 -0.445978748809E+03 -0.29589E-02 -0.53311E-03 2008 0.750E-02 0.363E-01
DAV: 19 -0.445981873401E+03 -0.31246E-02 -0.14596E-02 2192 0.136E-01 0.506E-01
DAV: 20 -0.445981915437E+03 -0.42035E-04 -0.22807E-03 1936 0.734E-02 0.479E-02
DAV: 21 -0.445983197274E+03 -0.12818E-02 -0.52917E-04 1776 0.475E-02 0.469E-02
DAV: 22 -0.445983716074E+03 -0.51880E-03 -0.39578E-04 1928 0.328E-02 0.972E-02
DAV: 23 -0.445983911905E+03 -0.19583E-03 -0.14199E-04 1656 0.195E-02 0.155E-02
DAV: 24 -0.445984125108E+03 -0.21320E-03 -0.58871E-05 1704 0.178E-02 0.811E-03
DAV: 25 -0.445984280458E+03 -0.15535E-03 -0.19385E-05 1232 0.843E-03 0.320E-02
DAV: 26 -0.445984349646E+03 -0.69188E-04 -0.81111E-06 1144 0.576E-03 0.201E-02
DAV: 27 -0.445984372123E+03 -0.22476E-04 -0.13511E-05 976 0.530E-03 0.143E-02
DAV: 28 -0.445984403370E+03 -0.31248E-04 -0.56048E-06 1024 0.428E-03 0.482E-03
DAV: 29 -0.445984420038E+03 -0.16667E-04 -0.11921E-06 992 0.202E-03 0.423E-03
DAV: 30 -0.445984424459E+03 -0.44209E-05 -0.79189E-07 936 0.250E-03
1 F= -.44598442E+03 E0= -.44595798E+03 d E =-.793405E-01