iterations/neb0_image02_iter15_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 0.208946018374E+04 0.20895E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.142105734382E+03 -0.22316E+04 -0.21443E+04 2152 0.261E+02
DAV: 3 -0.462721538345E+03 -0.32062E+03 -0.31573E+03 1904 0.107E+02
DAV: 4 -0.476145866422E+03 -0.13424E+02 -0.13367E+02 1944 0.229E+01
DAV: 5 -0.476608383255E+03 -0.46252E+00 -0.46217E+00 2104 0.379E+00 0.434E+01
DAV: 6 -0.455173285683E+03 0.21435E+02 -0.14917E+02 2032 0.320E+01 0.408E+01
DAV: 7 -0.452941558927E+03 0.22317E+01 -0.42676E+01 1784 0.142E+01 0.220E+01
DAV: 8 -0.446011764671E+03 0.69298E+01 -0.94944E+00 1824 0.837E+00 0.132E+01
DAV: 9 -0.447996971850E+03 -0.19852E+01 -0.29712E+01 2088 0.109E+01 0.187E+01
DAV: 10 -0.445980053090E+03 0.20169E+01 -0.13283E+01 1856 0.370E+00 0.104E+01
DAV: 11 -0.445855452729E+03 0.12460E+00 -0.24976E-01 1944 0.912E-01 0.968E+00
DAV: 12 -0.445863100696E+03 -0.76480E-02 -0.22637E-02 2040 0.477E-01 0.972E+00
DAV: 13 -0.445817763177E+03 0.45338E-01 -0.10791E+00 1984 0.280E+00 0.947E+00
DAV: 14 -0.445707644318E+03 0.11012E+00 -0.10270E+00 1880 0.271E+00 0.120E+01
DAV: 15 -0.445095511459E+03 0.61213E+00 -0.93990E-01 1856 0.128E+00 0.510E+00
DAV: 16 -0.445045829716E+03 0.49682E-01 -0.84123E-02 1928 0.811E-01 0.446E+00
DAV: 17 -0.444665518259E+03 0.38031E+00 -0.18987E-01 2136 0.121E+00 0.356E+00
DAV: 18 -0.444420249675E+03 0.24527E+00 -0.86934E-02 2024 0.878E-01 0.294E+00
DAV: 19 -0.444344148145E+03 0.76102E-01 -0.27980E-02 1984 0.493E-01 0.202E+00
DAV: 20 -0.444309446299E+03 0.34702E-01 -0.12557E-02 2064 0.407E-01 0.195E+00
DAV: 21 -0.444262650878E+03 0.46795E-01 -0.76651E-01 2384 0.105E+00 0.351E+00
DAV: 22 -0.444230575513E+03 0.32075E-01 -0.28871E-02 1888 0.337E-01 0.257E+00
DAV: 23 -0.444212397809E+03 0.18178E-01 -0.31150E-03 1944 0.188E-01 0.995E-01
DAV: 24 -0.444246359999E+03 -0.33962E-01 -0.56612E-03 1840 0.246E-01 0.149E+00
DAV: 25 -0.444253065045E+03 -0.67050E-02 -0.30658E-03 1968 0.164E-01 0.156E+00
DAV: 26 -0.444238269946E+03 0.14795E-01 -0.13711E-03 1912 0.138E-01 0.635E-01
DAV: 27 -0.444242565412E+03 -0.42955E-02 -0.87113E-04 1880 0.793E-02 0.556E-01
DAV: 28 -0.444242034716E+03 0.53070E-03 -0.24773E-04 2120 0.581E-02 0.451E-01
DAV: 29 -0.444240972879E+03 0.10618E-02 -0.46128E-04 2024 0.918E-02 0.440E-01
DAV: 30 -0.444238730495E+03 0.22424E-02 -0.94221E-04 2328 0.138E-01 0.593E-02
DAV: 31 -0.444240802062E+03 -0.20716E-02 -0.75527E-04 1840 0.554E-02 0.585E-02
DAV: 32 -0.444241139913E+03 -0.33785E-03 -0.48706E-05 1592 0.160E-02 0.931E-02
DAV: 33 -0.444241410814E+03 -0.27090E-03 -0.71612E-05 1688 0.287E-02 0.676E-02
DAV: 34 -0.444241502451E+03 -0.91637E-04 -0.52206E-05 1672 0.158E-02 0.273E-02
DAV: 35 -0.444241540776E+03 -0.38325E-04 -0.10419E-05 1176 0.941E-03 0.239E-02
DAV: 36 -0.444241582901E+03 -0.42125E-04 -0.76458E-06 1304 0.101E-02 0.362E-02
DAV: 37 -0.444241628443E+03 -0.45542E-04 -0.20074E-05 1312 0.117E-02 0.909E-03
DAV: 38 -0.444241639720E+03 -0.11277E-04 -0.38951E-06 936 0.490E-03 0.826E-03
DAV: 39 -0.444241648262E+03 -0.85426E-05 -0.11667E-06 936 0.338E-03
1 F= -.44424165E+03 E0= -.44423423E+03 d E =-.222612E-01