iterations/neb0_image09_iter58_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 0.209684079030E+04 0.20968E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141604003076E+03 -0.22384E+04 -0.21475E+04 2152 0.262E+02
DAV: 3 -0.466337345464E+03 -0.32473E+03 -0.32140E+03 1832 0.108E+02
DAV: 4 -0.479193001504E+03 -0.12856E+02 -0.12805E+02 1960 0.228E+01
DAV: 5 -0.479666620833E+03 -0.47362E+00 -0.47337E+00 2120 0.384E+00 0.427E+01
DAV: 6 -0.447154135608E+03 0.32512E+02 -0.14233E+02 2016 0.310E+01 0.271E+01
DAV: 7 -0.449078574806E+03 -0.19244E+01 -0.75085E+01 1928 0.111E+01 0.137E+01
DAV: 8 -0.446276240535E+03 0.28023E+01 -0.81572E+00 2448 0.798E+00 0.868E+00
DAV: 9 -0.446848299017E+03 -0.57206E+00 -0.15299E+01 1904 0.392E+00 0.488E+00
DAV: 10 -0.446007429202E+03 0.84087E+00 -0.65217E-01 2136 0.391E+00 0.321E+00
DAV: 11 -0.446136090161E+03 -0.12866E+00 -0.24363E+00 1912 0.162E+00 0.414E+00
DAV: 12 -0.446015920404E+03 0.12017E+00 -0.19844E+00 2040 0.127E+00 0.304E+00
DAV: 13 -0.446052135105E+03 -0.36215E-01 -0.15400E+00 2192 0.931E-01 0.348E+00
DAV: 14 -0.445967382341E+03 0.84753E-01 -0.43993E-01 2056 0.667E-01 0.460E-01
DAV: 15 -0.445975846742E+03 -0.84644E-02 -0.16748E-02 1984 0.251E-01 0.437E-01
DAV: 16 -0.445976207484E+03 -0.36074E-03 -0.52483E-03 1880 0.138E-01 0.106E-01
DAV: 17 -0.445978261307E+03 -0.20538E-02 -0.16082E-03 1888 0.875E-02 0.110E-01
DAV: 18 -0.445981701023E+03 -0.34397E-02 -0.79069E-03 2024 0.802E-02 0.436E-01
DAV: 19 -0.445984015179E+03 -0.23142E-02 -0.16857E-02 2192 0.138E-01 0.448E-01
DAV: 20 -0.445984479699E+03 -0.46452E-03 -0.15091E-03 1856 0.652E-02 0.725E-02
DAV: 21 -0.445985612137E+03 -0.11324E-02 -0.49695E-04 1816 0.472E-02 0.295E-02
DAV: 22 -0.445986140531E+03 -0.52839E-03 -0.26092E-04 1896 0.319E-02 0.727E-02
DAV: 23 -0.445986358498E+03 -0.21797E-03 -0.49404E-05 1584 0.164E-02 0.369E-02
DAV: 24 -0.445986531255E+03 -0.17276E-03 -0.68126E-05 1704 0.178E-02 0.103E-02
DAV: 25 -0.445986666951E+03 -0.13570E-03 -0.97701E-06 1160 0.811E-03 0.933E-03
DAV: 26 -0.445986762076E+03 -0.95125E-04 -0.83594E-06 1176 0.558E-03 0.737E-03
DAV: 27 -0.445986785322E+03 -0.23246E-04 -0.35866E-06 936 0.369E-03 0.987E-03
DAV: 28 -0.445986820507E+03 -0.35186E-04 -0.40252E-06 1072 0.491E-03 0.328E-03
DAV: 29 -0.445986831268E+03 -0.10760E-04 -0.11359E-06 944 0.252E-03 0.603E-03
DAV: 30 -0.445986835285E+03 -0.40172E-05 -0.12530E-06 936 0.301E-03
1 F= -.44598684E+03 E0= -.44596046E+03 d E =-.791293E-01