iterations/neb0_image04_iter26_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 0.209040900113E+04 0.20904E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.139505798965E+03 -0.22299E+04 -0.21375E+04 2120 0.262E+02
DAV: 3 -0.466097254314E+03 -0.32659E+03 -0.32312E+03 1872 0.108E+02
DAV: 4 -0.478586278449E+03 -0.12489E+02 -0.12438E+02 1976 0.223E+01
DAV: 5 -0.479020376004E+03 -0.43410E+00 -0.43388E+00 2112 0.369E+00 0.431E+01
DAV: 6 -0.447211274616E+03 0.31809E+02 -0.14610E+02 2032 0.315E+01 0.376E+01
DAV: 7 -0.454184536094E+03 -0.69733E+01 -0.28454E+02 1896 0.138E+01 0.206E+01
DAV: 8 -0.448230843882E+03 0.59537E+01 -0.84209E+00 1800 0.762E+00 0.126E+01
DAV: 9 -0.445831252772E+03 0.23996E+01 -0.17691E+01 2032 0.114E+01 0.103E+01
DAV: 10 -0.444971827270E+03 0.85943E+00 -0.32571E+00 1896 0.343E+00 0.102E+01
DAV: 11 -0.444154664830E+03 0.81716E+00 -0.30630E+00 2024 0.236E+00 0.327E+00
DAV: 12 -0.444267963808E+03 -0.11330E+00 -0.38555E+00 1968 0.239E+00 0.666E+00
DAV: 13 -0.444007891671E+03 0.26007E+00 -0.21800E+00 1920 0.150E+00 0.267E+00
DAV: 14 -0.444070128112E+03 -0.62236E-01 -0.35230E-01 1888 0.787E-01 0.372E+00
DAV: 15 -0.444157815762E+03 -0.87688E-01 -0.12476E+00 1936 0.778E-01 0.512E+00
DAV: 16 -0.444066280829E+03 0.91535E-01 -0.23971E+00 2200 0.110E+00 0.226E+00
DAV: 17 -0.444049504453E+03 0.16776E-01 -0.34269E-01 1984 0.662E-01 0.208E+00
DAV: 18 -0.444035301323E+03 0.14203E-01 -0.19408E-01 1976 0.480E-01 0.142E+00
DAV: 19 -0.444051987574E+03 -0.16686E-01 -0.13221E-02 1872 0.237E-01 0.139E+00
DAV: 20 -0.444046610758E+03 0.53768E-02 -0.23044E-02 1880 0.173E-01 0.512E-01
DAV: 21 -0.444050685805E+03 -0.40750E-02 -0.73598E-03 1880 0.133E-01 0.238E-01
DAV: 22 -0.444053930774E+03 -0.32450E-02 -0.37768E-03 2176 0.105E-01 0.228E-01
DAV: 23 -0.444056191765E+03 -0.22610E-02 -0.81083E-04 1792 0.691E-02 0.268E-01
DAV: 24 -0.444057252618E+03 -0.10609E-02 -0.46052E-04 1832 0.316E-02 0.314E-01
DAV: 25 -0.444057797274E+03 -0.54466E-03 -0.22895E-03 1944 0.534E-02 0.393E-02
DAV: 26 -0.444058553853E+03 -0.75658E-03 -0.21018E-04 1816 0.323E-02 0.255E-02
DAV: 27 -0.444058691480E+03 -0.13763E-03 -0.22652E-05 1384 0.139E-02 0.305E-02
DAV: 28 -0.444058904259E+03 -0.21278E-03 -0.71912E-05 1792 0.205E-02 0.207E-02
DAV: 29 -0.444058945949E+03 -0.41690E-04 -0.13168E-05 1056 0.909E-03 0.202E-02
DAV: 30 -0.444058981161E+03 -0.35212E-04 -0.19222E-05 1104 0.893E-03 0.239E-02
DAV: 31 -0.444059000398E+03 -0.19237E-04 -0.42465E-06 936 0.507E-03 0.130E-02
DAV: 32 -0.444059027962E+03 -0.27565E-04 -0.39370E-06 1032 0.375E-03 0.550E-03
DAV: 33 -0.444059038130E+03 -0.10168E-04 -0.83133E-07 936 0.286E-03 0.373E-03
DAV: 34 -0.444059047011E+03 -0.88812E-05 -0.20806E-06 944 0.345E-03
1 F= -.44405905E+03 E0= -.44403457E+03 d E =-.734172E-01